USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=18 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+ 173:sc= -2.9! (180deg=-3.15!) USER MOD Single : A 24 ASN : amide:sc= -0.299 K(o=-0.3,f=-1.4) USER MOD Single : A 26 GLN : amide:sc= 0.0775 K(o=0.078,f=-8!) USER MOD Single : A 28 LYS NZ :NH3+ 134:sc= -1.49 (180deg=-2.25!) USER MOD Single : A 29 LYS NZ :NH3+ -128:sc= -0.124 (180deg=-1.84!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.546 USER MOD Single : A 40 SER OG : rot -108:sc= 1.22 USER MOD Single : A 44 THR OG1 : rot -128:sc= 0.0946 USER MOD Single : A 48 SER OG : rot 180:sc= -0.806 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= -0.982 K(o=-0.98,f=-3.4!) USER MOD Single : A 64 GLN : amide:sc= -1.67 K(o=-1.7,f=-2.3!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -3.32! C(o=-3.3!,f=-4.5!) USER MOD Single : A 85 LYS NZ :NH3+ -171:sc=-0.00893 (180deg=-0.106) USER MOD Single : A 86 SER OG : rot 72:sc= 0.125 USER MOD Single : A 87 GLN : amide:sc= -4 K(o=-4,f=-11!) USER MOD Single : A 92 SER OG : rot 89:sc= 0.134 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 84:sc= 1.1 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -139:sc= -0.0324 (180deg=-2.51!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0.0345 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 17 -12.438 -16.661 -9.924 1.00 0.00 N ATOM 2 CA LYS A 17 -12.193 -15.227 -9.845 1.00 0.00 C ATOM 3 C LYS A 17 -11.716 -14.682 -11.188 1.00 0.00 C ATOM 4 O LYS A 17 -11.145 -15.413 -11.998 1.00 0.00 O ATOM 5 CB LYS A 17 -11.158 -14.923 -8.760 1.00 0.00 C ATOM 6 CG LYS A 17 -11.623 -15.279 -7.358 1.00 0.00 C ATOM 7 CD LYS A 17 -10.585 -14.898 -6.313 1.00 0.00 C ATOM 8 CE LYS A 17 -10.826 -15.622 -4.996 1.00 0.00 C ATOM 9 NZ LYS A 17 -11.180 -14.678 -3.900 1.00 0.00 N ATOM 0 HA LYS A 17 -13.132 -14.737 -9.587 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.242 -15.471 -8.980 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.910 -13.862 -8.793 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -12.561 -14.767 -7.144 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.823 -16.349 -7.301 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.589 -15.138 -6.684 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.612 -13.821 -6.147 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.629 -16.349 -5.123 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.931 -16.180 -4.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.336 -15.210 -3.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.404 -14.000 -3.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.048 -14.163 -4.152 1.00 0.00 H new ATOM 23 N ARG A 18 -11.950 -13.394 -11.415 1.00 0.00 N ATOM 24 CA ARG A 18 -11.543 -12.754 -12.660 1.00 0.00 C ATOM 25 C ARG A 18 -11.821 -11.252 -12.615 1.00 0.00 C ATOM 26 O ARG A 18 -12.270 -10.664 -13.598 1.00 0.00 O ATOM 27 CB ARG A 18 -12.273 -13.388 -13.848 1.00 0.00 C ATOM 28 CG ARG A 18 -11.349 -13.775 -14.992 1.00 0.00 C ATOM 29 CD ARG A 18 -12.068 -13.730 -16.331 1.00 0.00 C ATOM 30 NE ARG A 18 -11.811 -14.925 -17.130 1.00 0.00 N ATOM 31 CZ ARG A 18 -12.275 -16.134 -16.825 1.00 0.00 C ATOM 32 NH1 ARG A 18 -13.018 -16.314 -15.741 1.00 0.00 N ATOM 33 NH2 ARG A 18 -11.993 -17.168 -17.607 1.00 0.00 N ATOM 0 H ARG A 18 -12.418 -12.774 -10.754 1.00 0.00 H new ATOM 0 HA ARG A 18 -10.470 -12.903 -12.783 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.805 -14.275 -13.505 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -13.023 -12.689 -14.218 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.494 -13.099 -15.014 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -10.958 -14.778 -14.822 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -13.140 -13.630 -16.164 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -11.748 -12.848 -16.885 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.242 -14.827 -17.971 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -13.237 -15.523 -15.136 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -13.371 -17.244 -15.513 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -11.421 -17.036 -18.441 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.348 -18.095 -17.374 1.00 0.00 H new ATOM 47 N VAL A 19 -11.551 -10.641 -11.466 1.00 0.00 N ATOM 48 CA VAL A 19 -11.770 -9.211 -11.291 1.00 0.00 C ATOM 49 C VAL A 19 -10.564 -8.546 -10.640 1.00 0.00 C ATOM 50 O VAL A 19 -9.742 -9.210 -10.009 1.00 0.00 O ATOM 51 CB VAL A 19 -13.020 -8.934 -10.431 1.00 0.00 C ATOM 52 CG1 VAL A 19 -13.384 -7.457 -10.476 1.00 0.00 C ATOM 53 CG2 VAL A 19 -14.187 -9.792 -10.891 1.00 0.00 C ATOM 0 H VAL A 19 -11.180 -11.115 -10.642 1.00 0.00 H new ATOM 0 HA VAL A 19 -11.921 -8.791 -12.285 1.00 0.00 H new ATOM 0 HB VAL A 19 -12.792 -9.197 -9.398 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -14.268 -7.281 -9.863 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -12.553 -6.866 -10.092 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -13.592 -7.165 -11.505 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -15.059 -9.582 -10.272 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -14.418 -9.565 -11.932 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -13.922 -10.845 -10.800 1.00 0.00 H new ATOM 63 N GLY A 20 -10.462 -7.230 -10.796 1.00 0.00 N ATOM 64 CA GLY A 20 -9.351 -6.497 -10.218 1.00 0.00 C ATOM 65 C GLY A 20 -8.270 -6.187 -11.232 1.00 0.00 C ATOM 66 O GLY A 20 -7.978 -7.002 -12.107 1.00 0.00 O ATOM 0 H GLY A 20 -11.130 -6.658 -11.313 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.719 -5.565 -9.788 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.923 -7.078 -9.401 1.00 0.00 H new ATOM 70 N LYS A 21 -7.672 -5.007 -11.113 1.00 0.00 N ATOM 71 CA LYS A 21 -6.613 -4.590 -12.026 1.00 0.00 C ATOM 72 C LYS A 21 -5.542 -3.796 -11.287 1.00 0.00 C ATOM 73 O LYS A 21 -5.556 -3.709 -10.059 1.00 0.00 O ATOM 74 CB LYS A 21 -7.188 -3.756 -13.177 1.00 0.00 C ATOM 75 CG LYS A 21 -7.684 -2.382 -12.755 1.00 0.00 C ATOM 76 CD LYS A 21 -8.810 -2.482 -11.740 1.00 0.00 C ATOM 77 CE LYS A 21 -9.910 -1.469 -12.017 1.00 0.00 C ATOM 78 NZ LYS A 21 -9.377 -0.086 -12.160 1.00 0.00 N ATOM 0 H LYS A 21 -7.902 -4.322 -10.393 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.154 -5.488 -12.441 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.422 -3.635 -13.943 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.012 -4.304 -13.634 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.859 -1.812 -12.329 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.031 -1.835 -13.631 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.229 -3.488 -11.759 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.412 -2.322 -10.738 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.439 -1.749 -12.928 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.638 -1.494 -11.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.141 0.551 -12.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.000 0.237 -11.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.617 -0.079 -12.870 1.00 0.00 H new ATOM 92 N ARG A 22 -4.615 -3.219 -12.042 1.00 0.00 N ATOM 93 CA ARG A 22 -3.535 -2.434 -11.457 1.00 0.00 C ATOM 94 C ARG A 22 -3.547 -1.006 -11.988 1.00 0.00 C ATOM 95 O ARG A 22 -3.792 -0.774 -13.170 1.00 0.00 O ATOM 96 CB ARG A 22 -2.183 -3.088 -11.749 1.00 0.00 C ATOM 97 CG ARG A 22 -1.822 -3.107 -13.227 1.00 0.00 C ATOM 98 CD ARG A 22 -1.231 -4.444 -13.640 1.00 0.00 C ATOM 99 NE ARG A 22 -0.582 -4.376 -14.947 1.00 0.00 N ATOM 100 CZ ARG A 22 -1.240 -4.265 -16.098 1.00 0.00 C ATOM 101 NH1 ARG A 22 -2.566 -4.209 -16.108 1.00 0.00 N ATOM 102 NH2 ARG A 22 -0.572 -4.208 -17.241 1.00 0.00 N ATOM 0 H ARG A 22 -4.589 -3.280 -13.060 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.690 -2.401 -10.379 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.406 -2.556 -11.201 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.195 -4.111 -11.373 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.712 -2.902 -13.822 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.107 -2.312 -13.438 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.507 -4.767 -12.892 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.019 -5.196 -13.666 1.00 0.00 H new ATOM 0 HE ARG A 22 0.437 -4.416 -14.979 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.085 -4.251 -15.231 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.066 -4.124 -16.993 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.447 -4.249 -17.239 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.077 -4.123 -18.123 1.00 0.00 H new ATOM 116 N LEU A 23 -3.283 -0.050 -11.102 1.00 0.00 N ATOM 117 CA LEU A 23 -3.269 1.358 -11.482 1.00 0.00 C ATOM 118 C LEU A 23 -2.077 2.085 -10.871 1.00 0.00 C ATOM 119 O LEU A 23 -1.625 1.749 -9.776 1.00 0.00 O ATOM 120 CB LEU A 23 -4.571 2.052 -11.061 1.00 0.00 C ATOM 121 CG LEU A 23 -5.657 1.126 -10.519 1.00 0.00 C ATOM 122 CD1 LEU A 23 -6.521 1.851 -9.499 1.00 0.00 C ATOM 123 CD2 LEU A 23 -6.509 0.583 -11.655 1.00 0.00 C ATOM 0 H LEU A 23 -3.076 -0.224 -10.118 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.181 1.400 -12.568 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.337 2.796 -10.299 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.971 2.590 -11.920 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.174 0.286 -10.020 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.289 1.173 -9.125 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.899 2.188 -8.670 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.995 2.712 -9.970 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.278 -0.075 -11.251 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.981 1.411 -12.184 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.879 0.023 -12.347 1.00 0.00 H new ATOM 135 N ASN A 24 -1.582 3.092 -11.582 1.00 0.00 N ATOM 136 CA ASN A 24 -0.452 3.883 -11.110 1.00 0.00 C ATOM 137 C ASN A 24 -0.943 5.182 -10.483 1.00 0.00 C ATOM 138 O ASN A 24 -1.683 5.941 -11.111 1.00 0.00 O ATOM 139 CB ASN A 24 0.506 4.188 -12.264 1.00 0.00 C ATOM 140 CG ASN A 24 1.948 4.290 -11.806 1.00 0.00 C ATOM 141 OD1 ASN A 24 2.706 3.322 -11.884 1.00 0.00 O ATOM 142 ND2 ASN A 24 2.334 5.466 -11.323 1.00 0.00 N ATOM 0 H ASN A 24 -1.947 3.380 -12.490 1.00 0.00 H new ATOM 0 HA ASN A 24 0.082 3.306 -10.355 1.00 0.00 H new ATOM 0 HB2 ASN A 24 0.422 3.406 -13.019 1.00 0.00 H new ATOM 0 HB3 ASN A 24 0.212 5.124 -12.740 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.292 5.594 -10.998 1.00 0.00 H new ATOM 0 HD22 ASN A 24 1.672 6.241 -11.277 1.00 0.00 H new ATOM 149 N ILE A 25 -0.545 5.429 -9.240 1.00 0.00 N ATOM 150 CA ILE A 25 -0.965 6.634 -8.537 1.00 0.00 C ATOM 151 C ILE A 25 0.228 7.414 -7.993 1.00 0.00 C ATOM 152 O ILE A 25 0.924 6.955 -7.085 1.00 0.00 O ATOM 153 CB ILE A 25 -1.929 6.291 -7.381 1.00 0.00 C ATOM 154 CG1 ILE A 25 -3.163 5.565 -7.921 1.00 0.00 C ATOM 155 CG2 ILE A 25 -2.336 7.549 -6.626 1.00 0.00 C ATOM 156 CD1 ILE A 25 -3.584 4.376 -7.087 1.00 0.00 C ATOM 0 H ILE A 25 0.065 4.814 -8.701 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.484 7.261 -9.262 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.412 5.631 -6.684 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.992 6.270 -7.977 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.960 5.230 -8.938 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.015 7.283 -5.816 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.449 8.029 -6.213 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.836 8.237 -7.308 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.465 3.913 -7.532 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.771 3.650 -7.052 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.820 4.706 -6.075 1.00 0.00 H new ATOM 168 N GLN A 26 0.449 8.601 -8.547 1.00 0.00 N ATOM 169 CA GLN A 26 1.546 9.460 -8.113 1.00 0.00 C ATOM 170 C GLN A 26 1.090 10.352 -6.964 1.00 0.00 C ATOM 171 O GLN A 26 0.123 11.102 -7.096 1.00 0.00 O ATOM 172 CB GLN A 26 2.046 10.319 -9.279 1.00 0.00 C ATOM 173 CG GLN A 26 2.100 9.577 -10.607 1.00 0.00 C ATOM 174 CD GLN A 26 0.891 9.856 -11.478 1.00 0.00 C ATOM 175 OE1 GLN A 26 -0.246 9.595 -11.085 1.00 0.00 O ATOM 176 NE2 GLN A 26 1.131 10.386 -12.672 1.00 0.00 N ATOM 0 H GLN A 26 -0.118 8.992 -9.299 1.00 0.00 H new ATOM 0 HA GLN A 26 2.366 8.830 -7.768 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.395 11.187 -9.384 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.042 10.694 -9.042 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.004 9.864 -11.143 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.168 8.506 -10.418 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.089 10.587 -12.958 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.357 10.593 -13.303 1.00 0.00 H new ATOM 185 N LEU A 27 1.777 10.254 -5.832 1.00 0.00 N ATOM 186 CA LEU A 27 1.422 11.043 -4.658 1.00 0.00 C ATOM 187 C LEU A 27 2.481 12.092 -4.337 1.00 0.00 C ATOM 188 O LEU A 27 3.672 11.789 -4.260 1.00 0.00 O ATOM 189 CB LEU A 27 1.220 10.126 -3.451 1.00 0.00 C ATOM 190 CG LEU A 27 -0.167 9.491 -3.352 1.00 0.00 C ATOM 191 CD1 LEU A 27 -0.180 8.386 -2.304 1.00 0.00 C ATOM 192 CD2 LEU A 27 -1.212 10.548 -3.032 1.00 0.00 C ATOM 0 H LEU A 27 2.580 9.639 -5.702 1.00 0.00 H new ATOM 0 HA LEU A 27 0.492 11.565 -4.883 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.966 9.332 -3.487 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.408 10.698 -2.542 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.412 9.046 -4.316 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.176 7.948 -2.250 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.541 7.616 -2.578 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.086 8.803 -1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.194 10.080 -2.965 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.970 11.022 -2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.222 11.300 -3.821 1.00 0.00 H new ATOM 204 N LYS A 28 2.033 13.330 -4.138 1.00 0.00 N ATOM 205 CA LYS A 28 2.927 14.430 -3.810 1.00 0.00 C ATOM 206 C LYS A 28 3.245 14.434 -2.319 1.00 0.00 C ATOM 207 O LYS A 28 2.374 14.698 -1.490 1.00 0.00 O ATOM 208 CB LYS A 28 2.293 15.763 -4.208 1.00 0.00 C ATOM 209 CG LYS A 28 3.265 16.929 -4.188 1.00 0.00 C ATOM 210 CD LYS A 28 4.410 16.707 -5.162 1.00 0.00 C ATOM 211 CE LYS A 28 5.120 18.010 -5.494 1.00 0.00 C ATOM 212 NZ LYS A 28 6.336 18.209 -4.658 1.00 0.00 N ATOM 0 H LYS A 28 1.050 13.594 -4.200 1.00 0.00 H new ATOM 0 HA LYS A 28 3.855 14.296 -4.366 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.870 15.670 -5.208 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.466 15.979 -3.531 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.739 17.849 -4.445 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.661 17.059 -3.181 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.122 16.002 -4.733 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.028 16.256 -6.078 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.399 18.013 -6.548 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.436 18.845 -5.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.126 18.513 -5.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.148 18.938 -3.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.584 17.315 -4.187 1.00 0.00 H new ATOM 226 N LYS A 29 4.494 14.133 -1.982 1.00 0.00 N ATOM 227 CA LYS A 29 4.920 14.098 -0.587 1.00 0.00 C ATOM 228 C LYS A 29 4.607 15.413 0.122 1.00 0.00 C ATOM 229 O LYS A 29 4.768 16.492 -0.449 1.00 0.00 O ATOM 230 CB LYS A 29 6.419 13.797 -0.497 1.00 0.00 C ATOM 231 CG LYS A 29 6.728 12.346 -0.173 1.00 0.00 C ATOM 232 CD LYS A 29 6.938 12.140 1.319 1.00 0.00 C ATOM 233 CE LYS A 29 5.656 12.382 2.101 1.00 0.00 C ATOM 234 NZ LYS A 29 5.558 11.494 3.294 1.00 0.00 N ATOM 0 H LYS A 29 5.228 13.910 -2.654 1.00 0.00 H new ATOM 0 HA LYS A 29 4.365 13.304 -0.088 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.891 14.058 -1.444 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.864 14.434 0.267 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.910 11.713 -0.517 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.621 12.034 -0.714 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.290 11.125 1.501 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.716 12.816 1.675 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.616 13.424 2.419 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.797 12.214 1.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.642 11.001 3.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.327 10.795 3.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.636 12.065 4.159 1.00 0.00 H new ATOM 248 N GLY A 30 4.162 15.312 1.371 1.00 0.00 N ATOM 249 CA GLY A 30 3.833 16.497 2.142 1.00 0.00 C ATOM 250 C GLY A 30 4.429 16.464 3.535 1.00 0.00 C ATOM 251 O GLY A 30 5.404 15.753 3.783 1.00 0.00 O ATOM 0 H GLY A 30 4.023 14.429 1.863 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.194 17.381 1.616 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.749 16.590 2.215 1.00 0.00 H new ATOM 255 N THR A 31 3.844 17.234 4.447 1.00 0.00 N ATOM 256 CA THR A 31 4.327 17.290 5.823 1.00 0.00 C ATOM 257 C THR A 31 3.611 16.263 6.694 1.00 0.00 C ATOM 258 O THR A 31 4.190 15.725 7.638 1.00 0.00 O ATOM 259 CB THR A 31 4.125 18.693 6.398 1.00 0.00 C ATOM 260 OG1 THR A 31 2.752 19.044 6.394 1.00 0.00 O ATOM 261 CG2 THR A 31 4.875 19.765 5.638 1.00 0.00 C ATOM 0 H THR A 31 3.036 17.827 4.259 1.00 0.00 H new ATOM 0 HA THR A 31 5.391 17.055 5.818 1.00 0.00 H new ATOM 0 HB THR A 31 4.518 18.648 7.414 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.643 19.944 6.767 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.688 20.735 6.098 1.00 0.00 H new ATOM 0 HG22 THR A 31 5.943 19.550 5.665 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.535 19.783 4.603 1.00 0.00 H new ATOM 269 N GLU A 32 2.348 15.996 6.374 1.00 0.00 N ATOM 270 CA GLU A 32 1.555 15.033 7.132 1.00 0.00 C ATOM 271 C GLU A 32 1.508 13.683 6.422 1.00 0.00 C ATOM 272 O GLU A 32 0.433 13.136 6.175 1.00 0.00 O ATOM 273 CB GLU A 32 0.136 15.565 7.342 1.00 0.00 C ATOM 274 CG GLU A 32 0.032 16.600 8.450 1.00 0.00 C ATOM 275 CD GLU A 32 -0.945 16.196 9.538 1.00 0.00 C ATOM 276 OE1 GLU A 32 -0.522 15.515 10.495 1.00 0.00 O ATOM 277 OE2 GLU A 32 -2.136 16.561 9.430 1.00 0.00 O ATOM 0 H GLU A 32 1.852 16.432 5.596 1.00 0.00 H new ATOM 0 HA GLU A 32 2.030 14.892 8.103 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.220 16.005 6.410 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.526 14.730 7.573 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.017 16.755 8.891 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.280 17.553 8.023 1.00 0.00 H new ATOM 284 N GLY A 33 2.682 13.151 6.096 1.00 0.00 N ATOM 285 CA GLY A 33 2.752 11.868 5.420 1.00 0.00 C ATOM 286 C GLY A 33 1.971 11.853 4.119 1.00 0.00 C ATOM 287 O GLY A 33 1.983 12.831 3.370 1.00 0.00 O ATOM 0 H GLY A 33 3.585 13.585 6.288 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.795 11.625 5.217 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.366 11.091 6.081 1.00 0.00 H new ATOM 291 N LEU A 34 1.291 10.745 3.851 1.00 0.00 N ATOM 292 CA LEU A 34 0.502 10.608 2.631 1.00 0.00 C ATOM 293 C LEU A 34 -0.986 10.482 2.952 1.00 0.00 C ATOM 294 O LEU A 34 -1.837 10.813 2.127 1.00 0.00 O ATOM 295 CB LEU A 34 0.968 9.392 1.829 1.00 0.00 C ATOM 296 CG LEU A 34 2.389 9.494 1.268 1.00 0.00 C ATOM 297 CD1 LEU A 34 3.088 8.143 1.327 1.00 0.00 C ATOM 298 CD2 LEU A 34 2.359 10.025 -0.159 1.00 0.00 C ATOM 0 H LEU A 34 1.269 9.928 4.461 1.00 0.00 H new ATOM 0 HA LEU A 34 0.650 11.507 2.033 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.907 8.510 2.467 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.277 9.235 1.001 1.00 0.00 H new ATOM 0 HG LEU A 34 2.954 10.194 1.883 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.096 8.237 0.924 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.141 7.806 2.362 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.528 7.417 0.737 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.377 10.092 -0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.777 9.350 -0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.901 11.014 -0.170 1.00 0.00 H new ATOM 310 N GLY A 35 -1.292 10.001 4.154 1.00 0.00 N ATOM 311 CA GLY A 35 -2.676 9.843 4.559 1.00 0.00 C ATOM 312 C GLY A 35 -3.194 8.439 4.329 1.00 0.00 C ATOM 313 O GLY A 35 -4.398 8.233 4.176 1.00 0.00 O ATOM 0 H GLY A 35 -0.606 9.718 4.854 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.772 10.093 5.616 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.295 10.550 4.006 1.00 0.00 H new ATOM 317 N PHE A 36 -2.287 7.468 4.300 1.00 0.00 N ATOM 318 CA PHE A 36 -2.673 6.081 4.083 1.00 0.00 C ATOM 319 C PHE A 36 -1.705 5.123 4.769 1.00 0.00 C ATOM 320 O PHE A 36 -0.488 5.250 4.633 1.00 0.00 O ATOM 321 CB PHE A 36 -2.742 5.777 2.583 1.00 0.00 C ATOM 322 CG PHE A 36 -1.397 5.706 1.914 1.00 0.00 C ATOM 323 CD1 PHE A 36 -0.631 4.553 1.991 1.00 0.00 C ATOM 324 CD2 PHE A 36 -0.900 6.790 1.207 1.00 0.00 C ATOM 325 CE1 PHE A 36 0.605 4.482 1.378 1.00 0.00 C ATOM 326 CE2 PHE A 36 0.336 6.725 0.591 1.00 0.00 C ATOM 327 CZ PHE A 36 1.089 5.569 0.676 1.00 0.00 C ATOM 0 H PHE A 36 -1.285 7.616 4.423 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.660 5.936 4.522 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.260 4.829 2.438 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.340 6.545 2.094 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.005 3.700 2.537 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.485 7.695 1.137 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.192 3.578 1.447 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.713 7.577 0.044 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.054 5.516 0.194 1.00 0.00 H new ATOM 337 N SER A 37 -2.259 4.156 5.492 1.00 0.00 N ATOM 338 CA SER A 37 -1.451 3.163 6.187 1.00 0.00 C ATOM 339 C SER A 37 -1.545 1.823 5.469 1.00 0.00 C ATOM 340 O SER A 37 -2.633 1.396 5.082 1.00 0.00 O ATOM 341 CB SER A 37 -1.914 3.015 7.638 1.00 0.00 C ATOM 342 OG SER A 37 -1.354 4.027 8.458 1.00 0.00 O ATOM 0 H SER A 37 -3.265 4.039 5.612 1.00 0.00 H new ATOM 0 HA SER A 37 -0.413 3.496 6.187 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.002 3.067 7.683 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.626 2.035 8.017 1.00 0.00 H new ATOM 0 HG SER A 37 -1.666 3.911 9.380 1.00 0.00 H new ATOM 348 N ILE A 38 -0.406 1.168 5.276 1.00 0.00 N ATOM 349 CA ILE A 38 -0.385 -0.115 4.586 1.00 0.00 C ATOM 350 C ILE A 38 -0.201 -1.277 5.545 1.00 0.00 C ATOM 351 O ILE A 38 0.597 -1.215 6.482 1.00 0.00 O ATOM 352 CB ILE A 38 0.731 -0.176 3.532 1.00 0.00 C ATOM 353 CG1 ILE A 38 2.065 0.230 4.153 1.00 0.00 C ATOM 354 CG2 ILE A 38 0.389 0.714 2.349 1.00 0.00 C ATOM 355 CD1 ILE A 38 3.246 0.047 3.225 1.00 0.00 C ATOM 0 H ILE A 38 0.507 1.501 5.585 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.355 -0.203 4.098 1.00 0.00 H new ATOM 0 HB ILE A 38 0.820 -1.201 3.171 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.011 1.275 4.457 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.229 -0.357 5.057 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.189 0.661 1.610 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.544 0.377 1.898 1.00 0.00 H new ATOM 0 HG23 ILE A 38 0.277 1.744 2.689 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.159 0.356 3.733 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.326 -1.002 2.940 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.105 0.656 2.332 1.00 0.00 H new ATOM 367 N THR A 39 -0.936 -2.346 5.283 1.00 0.00 N ATOM 368 CA THR A 39 -0.858 -3.554 6.098 1.00 0.00 C ATOM 369 C THR A 39 -0.189 -4.679 5.316 1.00 0.00 C ATOM 370 O THR A 39 -0.010 -4.582 4.102 1.00 0.00 O ATOM 371 CB THR A 39 -2.251 -3.994 6.554 1.00 0.00 C ATOM 372 OG1 THR A 39 -2.236 -5.345 6.981 1.00 0.00 O ATOM 373 CG2 THR A 39 -3.307 -3.869 5.475 1.00 0.00 C ATOM 0 H THR A 39 -1.597 -2.404 4.509 1.00 0.00 H new ATOM 0 HA THR A 39 -0.259 -3.329 6.980 1.00 0.00 H new ATOM 0 HB THR A 39 -2.509 -3.321 7.372 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.135 -5.607 7.270 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.269 -4.198 5.868 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.381 -2.829 5.157 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.032 -4.490 4.623 1.00 0.00 H new ATOM 381 N SER A 40 0.183 -5.743 6.017 1.00 0.00 N ATOM 382 CA SER A 40 0.834 -6.884 5.383 1.00 0.00 C ATOM 383 C SER A 40 -0.013 -8.144 5.522 1.00 0.00 C ATOM 384 O SER A 40 -0.432 -8.504 6.623 1.00 0.00 O ATOM 385 CB SER A 40 2.221 -7.107 5.993 1.00 0.00 C ATOM 386 OG SER A 40 2.650 -8.446 5.818 1.00 0.00 O ATOM 0 H SER A 40 0.046 -5.840 7.023 1.00 0.00 H new ATOM 0 HA SER A 40 0.945 -6.666 4.321 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.938 -6.429 5.529 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.196 -6.866 7.056 1.00 0.00 H new ATOM 0 HG SER A 40 2.628 -8.912 6.680 1.00 0.00 H new ATOM 392 N ARG A 41 -0.261 -8.809 4.398 1.00 0.00 N ATOM 393 CA ARG A 41 -1.061 -10.030 4.392 1.00 0.00 C ATOM 394 C ARG A 41 -0.431 -11.102 5.279 1.00 0.00 C ATOM 395 O ARG A 41 -1.128 -11.959 5.820 1.00 0.00 O ATOM 396 CB ARG A 41 -1.211 -10.555 2.963 1.00 0.00 C ATOM 397 CG ARG A 41 -2.629 -10.984 2.619 1.00 0.00 C ATOM 398 CD ARG A 41 -2.901 -12.414 3.057 1.00 0.00 C ATOM 399 NE ARG A 41 -3.651 -12.470 4.309 1.00 0.00 N ATOM 400 CZ ARG A 41 -4.193 -13.583 4.800 1.00 0.00 C ATOM 401 NH1 ARG A 41 -4.070 -14.732 4.147 1.00 0.00 N ATOM 402 NH2 ARG A 41 -4.859 -13.545 5.944 1.00 0.00 N ATOM 0 H ARG A 41 0.080 -8.524 3.480 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.047 -9.792 4.791 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.895 -9.780 2.265 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.540 -11.402 2.824 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.340 -10.313 3.101 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.786 -10.896 1.544 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.459 -12.932 2.277 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.955 -12.942 3.177 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.766 -11.606 4.838 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.559 -14.765 3.265 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.487 -15.582 4.527 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.957 -12.664 6.448 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.274 -14.397 6.321 1.00 0.00 H new ATOM 416 N ASP A 42 0.890 -11.049 5.421 1.00 0.00 N ATOM 417 CA ASP A 42 1.608 -12.018 6.242 1.00 0.00 C ATOM 418 C ASP A 42 1.441 -13.428 5.685 1.00 0.00 C ATOM 419 O ASP A 42 1.100 -14.361 6.415 1.00 0.00 O ATOM 420 CB ASP A 42 1.113 -11.962 7.688 1.00 0.00 C ATOM 421 CG ASP A 42 1.229 -10.574 8.288 1.00 0.00 C ATOM 422 OD1 ASP A 42 2.285 -9.934 8.103 1.00 0.00 O ATOM 423 OD2 ASP A 42 0.263 -10.127 8.941 1.00 0.00 O ATOM 0 H ASP A 42 1.484 -10.347 4.979 1.00 0.00 H new ATOM 0 HA ASP A 42 2.667 -11.762 6.222 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.073 -12.285 7.725 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.686 -12.665 8.292 1.00 0.00 H new ATOM 428 N VAL A 43 1.682 -13.577 4.386 1.00 0.00 N ATOM 429 CA VAL A 43 1.558 -14.872 3.728 1.00 0.00 C ATOM 430 C VAL A 43 2.674 -15.816 4.162 1.00 0.00 C ATOM 431 O VAL A 43 2.435 -16.979 4.486 1.00 0.00 O ATOM 432 CB VAL A 43 1.567 -14.722 2.190 1.00 0.00 C ATOM 433 CG1 VAL A 43 2.981 -14.549 1.648 1.00 0.00 C ATOM 434 CG2 VAL A 43 0.880 -15.909 1.533 1.00 0.00 C ATOM 0 H VAL A 43 1.964 -12.816 3.768 1.00 0.00 H new ATOM 0 HA VAL A 43 0.601 -15.298 4.030 1.00 0.00 H new ATOM 0 HB VAL A 43 1.011 -13.818 1.944 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.945 -14.447 0.563 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.430 -13.656 2.082 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.580 -15.421 1.911 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.896 -15.785 0.450 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.404 -16.827 1.801 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.153 -15.967 1.876 1.00 0.00 H new ATOM 444 N THR A 44 3.894 -15.299 4.159 1.00 0.00 N ATOM 445 CA THR A 44 5.062 -16.081 4.546 1.00 0.00 C ATOM 446 C THR A 44 5.607 -15.613 5.892 1.00 0.00 C ATOM 447 O THR A 44 5.346 -14.491 6.322 1.00 0.00 O ATOM 448 CB THR A 44 6.149 -15.980 3.476 1.00 0.00 C ATOM 449 OG1 THR A 44 6.028 -14.767 2.752 1.00 0.00 O ATOM 450 CG2 THR A 44 6.112 -17.115 2.476 1.00 0.00 C ATOM 0 H THR A 44 4.103 -14.337 3.892 1.00 0.00 H new ATOM 0 HA THR A 44 4.756 -17.123 4.641 1.00 0.00 H new ATOM 0 HB THR A 44 7.093 -16.025 4.018 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.015 -14.959 1.791 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.909 -16.982 1.745 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.251 -18.063 2.996 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.149 -17.119 1.966 1.00 0.00 H new ATOM 458 N ILE A 45 6.367 -16.482 6.549 1.00 0.00 N ATOM 459 CA ILE A 45 6.950 -16.162 7.846 1.00 0.00 C ATOM 460 C ILE A 45 7.779 -14.882 7.782 1.00 0.00 C ATOM 461 O ILE A 45 7.891 -14.153 8.768 1.00 0.00 O ATOM 462 CB ILE A 45 7.836 -17.311 8.358 1.00 0.00 C ATOM 463 CG1 ILE A 45 7.111 -18.646 8.202 1.00 0.00 C ATOM 464 CG2 ILE A 45 8.224 -17.076 9.810 1.00 0.00 C ATOM 465 CD1 ILE A 45 7.731 -19.554 7.163 1.00 0.00 C ATOM 0 H ILE A 45 6.594 -17.415 6.204 1.00 0.00 H new ATOM 0 HA ILE A 45 6.120 -16.015 8.537 1.00 0.00 H new ATOM 0 HB ILE A 45 8.748 -17.342 7.762 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.103 -19.160 9.163 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.072 -18.456 7.933 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.851 -17.898 10.157 1.00 0.00 H new ATOM 0 HG22 ILE A 45 8.776 -16.139 9.892 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.324 -17.022 10.423 1.00 0.00 H new ATOM 0 HD11 ILE A 45 7.164 -20.483 7.107 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.715 -19.060 6.192 1.00 0.00 H new ATOM 0 HD13 ILE A 45 8.762 -19.774 7.441 1.00 0.00 H new ATOM 477 N GLY A 46 8.359 -14.615 6.615 1.00 0.00 N ATOM 478 CA GLY A 46 9.168 -13.421 6.447 1.00 0.00 C ATOM 479 C GLY A 46 10.110 -13.519 5.263 1.00 0.00 C ATOM 480 O GLY A 46 11.209 -14.058 5.379 1.00 0.00 O ATOM 0 H GLY A 46 8.283 -15.203 5.785 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.514 -12.559 6.316 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.747 -13.248 7.354 1.00 0.00 H new ATOM 484 N GLY A 47 9.679 -12.993 4.120 1.00 0.00 N ATOM 485 CA GLY A 47 10.506 -13.034 2.927 1.00 0.00 C ATOM 486 C GLY A 47 9.808 -12.445 1.717 1.00 0.00 C ATOM 487 O GLY A 47 10.434 -11.767 0.901 1.00 0.00 O ATOM 0 H GLY A 47 8.773 -12.540 3.999 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.431 -12.487 3.111 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.783 -14.067 2.716 1.00 0.00 H new ATOM 491 N SER A 48 8.510 -12.702 1.601 1.00 0.00 N ATOM 492 CA SER A 48 7.730 -12.190 0.478 1.00 0.00 C ATOM 493 C SER A 48 6.237 -12.243 0.783 1.00 0.00 C ATOM 494 O SER A 48 5.628 -13.312 0.772 1.00 0.00 O ATOM 495 CB SER A 48 8.032 -12.994 -0.788 1.00 0.00 C ATOM 496 OG SER A 48 9.294 -13.633 -0.699 1.00 0.00 O ATOM 0 H SER A 48 7.976 -13.260 2.268 1.00 0.00 H new ATOM 0 HA SER A 48 8.013 -11.150 0.316 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.253 -13.741 -0.942 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.016 -12.333 -1.655 1.00 0.00 H new ATOM 0 HG SER A 48 9.462 -14.141 -1.520 1.00 0.00 H new ATOM 502 N ALA A 49 5.653 -11.080 1.054 1.00 0.00 N ATOM 503 CA ALA A 49 4.233 -10.992 1.358 1.00 0.00 C ATOM 504 C ALA A 49 3.599 -9.776 0.686 1.00 0.00 C ATOM 505 O ALA A 49 4.197 -8.701 0.646 1.00 0.00 O ATOM 506 CB ALA A 49 4.016 -10.936 2.862 1.00 0.00 C ATOM 0 H ALA A 49 6.144 -10.186 1.069 1.00 0.00 H new ATOM 0 HA ALA A 49 3.749 -11.886 0.964 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.949 -10.870 3.073 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.422 -11.837 3.322 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.521 -10.061 3.270 1.00 0.00 H new ATOM 512 N PRO A 50 2.377 -9.925 0.146 1.00 0.00 N ATOM 513 CA PRO A 50 1.669 -8.831 -0.525 1.00 0.00 C ATOM 514 C PRO A 50 1.244 -7.732 0.446 1.00 0.00 C ATOM 515 O PRO A 50 0.572 -7.998 1.443 1.00 0.00 O ATOM 516 CB PRO A 50 0.431 -9.506 -1.137 1.00 0.00 C ATOM 517 CG PRO A 50 0.685 -10.974 -1.043 1.00 0.00 C ATOM 518 CD PRO A 50 1.585 -11.164 0.140 1.00 0.00 C ATOM 0 HA PRO A 50 2.304 -8.338 -1.261 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.474 -9.230 -0.596 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.289 -9.199 -2.173 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.248 -11.524 -0.916 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.154 -11.348 -1.953 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.019 -11.287 1.063 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.215 -12.047 0.032 1.00 0.00 H new ATOM 526 N ILE A 51 1.634 -6.497 0.145 1.00 0.00 N ATOM 527 CA ILE A 51 1.287 -5.360 0.988 1.00 0.00 C ATOM 528 C ILE A 51 0.013 -4.683 0.490 1.00 0.00 C ATOM 529 O ILE A 51 -0.165 -4.483 -0.712 1.00 0.00 O ATOM 530 CB ILE A 51 2.429 -4.323 1.029 1.00 0.00 C ATOM 531 CG1 ILE A 51 3.734 -4.993 1.475 1.00 0.00 C ATOM 532 CG2 ILE A 51 2.067 -3.161 1.946 1.00 0.00 C ATOM 533 CD1 ILE A 51 3.907 -5.074 2.980 1.00 0.00 C ATOM 0 H ILE A 51 2.190 -6.259 -0.676 1.00 0.00 H new ATOM 0 HA ILE A 51 1.123 -5.744 1.995 1.00 0.00 H new ATOM 0 HB ILE A 51 2.575 -3.922 0.026 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.772 -6.001 1.061 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.575 -4.443 1.053 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.885 -2.441 1.961 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.163 -2.675 1.578 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.894 -3.534 2.955 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.854 -5.561 3.212 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.903 -4.069 3.401 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.088 -5.651 3.410 1.00 0.00 H new ATOM 545 N TYR A 52 -0.868 -4.332 1.419 1.00 0.00 N ATOM 546 CA TYR A 52 -2.125 -3.678 1.073 1.00 0.00 C ATOM 547 C TYR A 52 -2.304 -2.388 1.866 1.00 0.00 C ATOM 548 O TYR A 52 -1.506 -2.075 2.748 1.00 0.00 O ATOM 549 CB TYR A 52 -3.304 -4.616 1.341 1.00 0.00 C ATOM 550 CG TYR A 52 -3.244 -5.910 0.563 1.00 0.00 C ATOM 551 CD1 TYR A 52 -2.572 -7.016 1.069 1.00 0.00 C ATOM 552 CD2 TYR A 52 -3.858 -6.026 -0.676 1.00 0.00 C ATOM 553 CE1 TYR A 52 -2.516 -8.202 0.362 1.00 0.00 C ATOM 554 CE2 TYR A 52 -3.807 -7.209 -1.391 1.00 0.00 C ATOM 555 CZ TYR A 52 -3.135 -8.292 -0.867 1.00 0.00 C ATOM 556 OH TYR A 52 -3.082 -9.472 -1.575 1.00 0.00 O ATOM 0 H TYR A 52 -0.736 -4.489 2.418 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.095 -3.433 0.011 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.339 -4.845 2.406 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.231 -4.098 1.095 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.085 -6.948 2.031 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -4.385 -5.178 -1.089 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.991 -9.053 0.769 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -4.291 -7.283 -2.354 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.569 -9.369 -2.419 1.00 0.00 H new ATOM 566 N VAL A 53 -3.359 -1.646 1.546 1.00 0.00 N ATOM 567 CA VAL A 53 -3.648 -0.394 2.233 1.00 0.00 C ATOM 568 C VAL A 53 -4.612 -0.619 3.393 1.00 0.00 C ATOM 569 O VAL A 53 -5.824 -0.715 3.197 1.00 0.00 O ATOM 570 CB VAL A 53 -4.249 0.650 1.271 1.00 0.00 C ATOM 571 CG1 VAL A 53 -4.429 1.987 1.973 1.00 0.00 C ATOM 572 CG2 VAL A 53 -3.373 0.805 0.037 1.00 0.00 C ATOM 0 H VAL A 53 -4.027 -1.891 0.815 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.701 -0.015 2.618 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.230 0.298 0.953 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.854 2.709 1.276 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.100 1.864 2.823 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.462 2.347 2.323 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.813 1.546 -0.631 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.377 1.132 0.336 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.300 -0.152 -0.480 1.00 0.00 H new ATOM 582 N LYS A 54 -4.061 -0.710 4.600 1.00 0.00 N ATOM 583 CA LYS A 54 -4.866 -0.929 5.798 1.00 0.00 C ATOM 584 C LYS A 54 -6.005 0.078 5.886 1.00 0.00 C ATOM 585 O LYS A 54 -7.079 -0.232 6.404 1.00 0.00 O ATOM 586 CB LYS A 54 -3.989 -0.833 7.048 1.00 0.00 C ATOM 587 CG LYS A 54 -4.756 -1.028 8.348 1.00 0.00 C ATOM 588 CD LYS A 54 -4.483 -2.390 8.964 1.00 0.00 C ATOM 589 CE LYS A 54 -3.243 -2.364 9.844 1.00 0.00 C ATOM 590 NZ LYS A 54 -3.253 -3.458 10.857 1.00 0.00 N ATOM 0 H LYS A 54 -3.059 -0.635 4.775 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.297 -1.928 5.736 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.200 -1.582 6.986 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.502 0.142 7.066 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.478 -0.247 9.055 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.824 -0.922 8.159 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.344 -2.702 9.555 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.354 -3.129 8.173 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.354 -2.456 9.220 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.179 -1.401 10.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.390 -3.404 11.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.087 -3.356 11.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.288 -4.378 10.374 1.00 0.00 H new ATOM 604 N ASN A 55 -5.770 1.286 5.382 1.00 0.00 N ATOM 605 CA ASN A 55 -6.792 2.333 5.417 1.00 0.00 C ATOM 606 C ASN A 55 -6.272 3.660 4.871 1.00 0.00 C ATOM 607 O ASN A 55 -5.067 3.910 4.850 1.00 0.00 O ATOM 608 CB ASN A 55 -7.300 2.533 6.847 1.00 0.00 C ATOM 609 CG ASN A 55 -6.171 2.620 7.855 1.00 0.00 C ATOM 610 OD1 ASN A 55 -5.254 3.427 7.709 1.00 0.00 O ATOM 611 ND2 ASN A 55 -6.233 1.786 8.887 1.00 0.00 N ATOM 0 H ASN A 55 -4.890 1.565 4.948 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.611 2.003 4.777 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -7.896 3.444 6.894 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -7.959 1.707 7.114 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.502 1.799 9.598 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.012 1.133 8.969 1.00 0.00 H new ATOM 618 N ILE A 56 -7.204 4.511 4.445 1.00 0.00 N ATOM 619 CA ILE A 56 -6.867 5.825 3.913 1.00 0.00 C ATOM 620 C ILE A 56 -7.267 6.913 4.902 1.00 0.00 C ATOM 621 O ILE A 56 -8.423 7.331 4.947 1.00 0.00 O ATOM 622 CB ILE A 56 -7.565 6.088 2.563 1.00 0.00 C ATOM 623 CG1 ILE A 56 -7.233 4.976 1.567 1.00 0.00 C ATOM 624 CG2 ILE A 56 -7.159 7.447 2.005 1.00 0.00 C ATOM 625 CD1 ILE A 56 -5.781 4.962 1.140 1.00 0.00 C ATOM 0 H ILE A 56 -8.204 4.310 4.459 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.789 5.845 3.755 1.00 0.00 H new ATOM 0 HB ILE A 56 -8.643 6.095 2.727 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.482 4.013 2.013 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.862 5.090 0.684 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.662 7.614 1.052 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.445 8.229 2.708 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.080 7.471 1.855 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.617 4.148 0.434 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.532 5.911 0.664 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.146 4.817 2.014 1.00 0.00 H new ATOM 637 N LEU A 57 -6.305 7.362 5.699 1.00 0.00 N ATOM 638 CA LEU A 57 -6.555 8.394 6.699 1.00 0.00 C ATOM 639 C LEU A 57 -7.211 9.625 6.074 1.00 0.00 C ATOM 640 O LEU A 57 -7.054 9.884 4.881 1.00 0.00 O ATOM 641 CB LEU A 57 -5.250 8.775 7.396 1.00 0.00 C ATOM 642 CG LEU A 57 -4.398 7.586 7.842 1.00 0.00 C ATOM 643 CD1 LEU A 57 -3.207 8.056 8.660 1.00 0.00 C ATOM 644 CD2 LEU A 57 -5.237 6.594 8.637 1.00 0.00 C ATOM 0 H LEU A 57 -5.342 7.027 5.672 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.247 7.991 7.439 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.660 9.395 6.721 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.484 9.386 8.268 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.023 7.081 6.952 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.614 7.195 8.967 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.592 8.723 8.057 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.560 8.588 9.544 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.613 5.755 8.946 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.644 7.087 9.520 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.055 6.229 8.016 1.00 0.00 H new ATOM 656 N PRO A 58 -7.971 10.394 6.876 1.00 0.00 N ATOM 657 CA PRO A 58 -8.671 11.590 6.400 1.00 0.00 C ATOM 658 C PRO A 58 -7.791 12.837 6.357 1.00 0.00 C ATOM 659 O PRO A 58 -8.299 13.958 6.371 1.00 0.00 O ATOM 660 CB PRO A 58 -9.775 11.760 7.441 1.00 0.00 C ATOM 661 CG PRO A 58 -9.179 11.243 8.705 1.00 0.00 C ATOM 662 CD PRO A 58 -8.224 10.142 8.308 1.00 0.00 C ATOM 0 HA PRO A 58 -9.018 11.473 5.373 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -10.070 12.805 7.540 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.669 11.201 7.166 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.657 12.036 9.241 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.953 10.864 9.372 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -7.303 10.182 8.890 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.660 9.156 8.470 1.00 0.00 H new ATOM 670 N ARG A 59 -6.477 12.648 6.306 1.00 0.00 N ATOM 671 CA ARG A 59 -5.553 13.770 6.261 1.00 0.00 C ATOM 672 C ARG A 59 -4.256 13.392 5.556 1.00 0.00 C ATOM 673 O ARG A 59 -3.297 12.951 6.191 1.00 0.00 O ATOM 674 CB ARG A 59 -5.257 14.254 7.677 1.00 0.00 C ATOM 675 CG ARG A 59 -4.917 13.131 8.639 1.00 0.00 C ATOM 676 CD ARG A 59 -6.030 12.899 9.653 1.00 0.00 C ATOM 677 NE ARG A 59 -5.582 13.139 11.024 1.00 0.00 N ATOM 678 CZ ARG A 59 -5.524 14.345 11.587 1.00 0.00 C ATOM 679 NH1 ARG A 59 -5.880 15.424 10.900 1.00 0.00 N ATOM 680 NH2 ARG A 59 -5.109 14.471 12.839 1.00 0.00 N ATOM 0 H ARG A 59 -6.031 11.731 6.295 1.00 0.00 H new ATOM 0 HA ARG A 59 -6.022 14.573 5.693 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.427 14.959 7.646 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.123 14.797 8.056 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.739 12.213 8.078 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.991 13.369 9.163 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.870 13.556 9.426 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.393 11.875 9.564 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.297 12.335 11.583 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.200 15.332 9.936 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.833 16.345 11.336 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.834 13.645 13.371 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.064 15.394 13.271 1.00 0.00 H new ATOM 694 N GLY A 60 -4.231 13.572 4.239 1.00 0.00 N ATOM 695 CA GLY A 60 -3.043 13.248 3.469 1.00 0.00 C ATOM 696 C GLY A 60 -3.184 13.596 2.000 1.00 0.00 C ATOM 697 O GLY A 60 -4.222 14.099 1.570 1.00 0.00 O ATOM 0 H GLY A 60 -5.011 13.936 3.692 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.189 13.783 3.884 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.831 12.183 3.567 1.00 0.00 H new ATOM 701 N ALA A 61 -2.131 13.333 1.233 1.00 0.00 N ATOM 702 CA ALA A 61 -2.130 13.627 -0.194 1.00 0.00 C ATOM 703 C ALA A 61 -2.958 12.617 -0.987 1.00 0.00 C ATOM 704 O ALA A 61 -3.470 12.933 -2.059 1.00 0.00 O ATOM 705 CB ALA A 61 -0.703 13.671 -0.721 1.00 0.00 C ATOM 0 H ALA A 61 -1.266 12.916 1.577 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.593 14.605 -0.328 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.716 13.892 -1.788 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.145 14.447 -0.197 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.224 12.706 -0.556 1.00 0.00 H new ATOM 711 N ALA A 62 -3.079 11.401 -0.464 1.00 0.00 N ATOM 712 CA ALA A 62 -3.842 10.361 -1.145 1.00 0.00 C ATOM 713 C ALA A 62 -5.324 10.703 -1.195 1.00 0.00 C ATOM 714 O ALA A 62 -5.933 10.702 -2.265 1.00 0.00 O ATOM 715 CB ALA A 62 -3.629 9.015 -0.470 1.00 0.00 C ATOM 0 H ALA A 62 -2.663 11.113 0.421 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.479 10.299 -2.171 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.206 8.251 -0.991 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.571 8.755 -0.502 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.957 9.072 0.568 1.00 0.00 H new ATOM 721 N ILE A 63 -5.905 10.987 -0.036 1.00 0.00 N ATOM 722 CA ILE A 63 -7.317 11.319 0.041 1.00 0.00 C ATOM 723 C ILE A 63 -7.650 12.570 -0.772 1.00 0.00 C ATOM 724 O ILE A 63 -8.692 12.633 -1.423 1.00 0.00 O ATOM 725 CB ILE A 63 -7.768 11.494 1.504 1.00 0.00 C ATOM 726 CG1 ILE A 63 -9.178 10.940 1.668 1.00 0.00 C ATOM 727 CG2 ILE A 63 -7.697 12.952 1.945 1.00 0.00 C ATOM 728 CD1 ILE A 63 -9.596 10.782 3.107 1.00 0.00 C ATOM 0 H ILE A 63 -5.419 10.993 0.861 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.866 10.483 -0.392 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.086 10.937 2.147 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.881 11.603 1.164 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.240 9.972 1.171 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -8.023 13.035 2.982 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.671 13.309 1.857 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.347 13.556 1.311 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -10.610 10.383 3.150 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.915 10.096 3.611 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -9.566 11.752 3.603 1.00 0.00 H new ATOM 740 N GLN A 64 -6.767 13.565 -0.737 1.00 0.00 N ATOM 741 CA GLN A 64 -6.993 14.798 -1.482 1.00 0.00 C ATOM 742 C GLN A 64 -6.835 14.560 -2.980 1.00 0.00 C ATOM 743 O GLN A 64 -7.538 15.162 -3.792 1.00 0.00 O ATOM 744 CB GLN A 64 -6.039 15.899 -1.014 1.00 0.00 C ATOM 745 CG GLN A 64 -4.594 15.670 -1.419 1.00 0.00 C ATOM 746 CD GLN A 64 -3.665 16.751 -0.903 1.00 0.00 C ATOM 747 OE1 GLN A 64 -3.183 16.684 0.228 1.00 0.00 O ATOM 748 NE2 GLN A 64 -3.409 17.755 -1.733 1.00 0.00 N ATOM 0 H GLN A 64 -5.897 13.542 -0.206 1.00 0.00 H new ATOM 0 HA GLN A 64 -8.015 15.125 -1.290 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.374 16.854 -1.420 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.094 15.978 0.072 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.264 14.702 -1.042 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.528 15.628 -2.506 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.831 17.769 -2.662 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.791 18.512 -1.442 1.00 0.00 H new ATOM 757 N ASP A 65 -5.910 13.675 -3.342 1.00 0.00 N ATOM 758 CA ASP A 65 -5.668 13.357 -4.744 1.00 0.00 C ATOM 759 C ASP A 65 -6.825 12.550 -5.321 1.00 0.00 C ATOM 760 O ASP A 65 -7.164 12.686 -6.497 1.00 0.00 O ATOM 761 CB ASP A 65 -4.358 12.579 -4.897 1.00 0.00 C ATOM 762 CG ASP A 65 -3.851 12.573 -6.326 1.00 0.00 C ATOM 763 OD1 ASP A 65 -4.559 13.098 -7.212 1.00 0.00 O ATOM 764 OD2 ASP A 65 -2.744 12.044 -6.559 1.00 0.00 O ATOM 0 H ASP A 65 -5.318 13.167 -2.685 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.588 14.293 -5.296 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.600 13.018 -4.248 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.508 11.552 -4.563 1.00 0.00 H new ATOM 769 N GLY A 66 -7.427 11.711 -4.486 1.00 0.00 N ATOM 770 CA GLY A 66 -8.541 10.893 -4.929 1.00 0.00 C ATOM 771 C GLY A 66 -8.146 9.931 -6.031 1.00 0.00 C ATOM 772 O GLY A 66 -8.792 9.876 -7.077 1.00 0.00 O ATOM 0 H GLY A 66 -7.163 11.582 -3.509 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -8.935 10.330 -4.083 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -9.344 11.539 -5.284 1.00 0.00 H new ATOM 776 N ARG A 67 -7.080 9.171 -5.797 1.00 0.00 N ATOM 777 CA ARG A 67 -6.599 8.208 -6.778 1.00 0.00 C ATOM 778 C ARG A 67 -6.429 6.828 -6.153 1.00 0.00 C ATOM 779 O ARG A 67 -6.915 5.830 -6.685 1.00 0.00 O ATOM 780 CB ARG A 67 -5.272 8.678 -7.376 1.00 0.00 C ATOM 781 CG ARG A 67 -5.347 10.055 -8.015 1.00 0.00 C ATOM 782 CD ARG A 67 -4.169 10.306 -8.940 1.00 0.00 C ATOM 783 NE ARG A 67 -4.078 11.706 -9.345 1.00 0.00 N ATOM 784 CZ ARG A 67 -3.083 12.203 -10.079 1.00 0.00 C ATOM 785 NH1 ARG A 67 -2.096 11.418 -10.489 1.00 0.00 N ATOM 786 NH2 ARG A 67 -3.077 13.488 -10.403 1.00 0.00 N ATOM 0 H ARG A 67 -6.534 9.205 -4.936 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.343 8.136 -7.572 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.514 8.691 -6.593 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.944 7.957 -8.125 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.277 10.146 -8.576 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.368 10.818 -7.236 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -3.246 10.013 -8.439 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -4.264 9.678 -9.826 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.819 12.341 -9.049 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.096 10.428 -10.243 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.337 11.804 -11.051 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.834 14.096 -10.091 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -2.316 13.869 -10.965 1.00 0.00 H new ATOM 800 N LEU A 68 -5.735 6.780 -5.022 1.00 0.00 N ATOM 801 CA LEU A 68 -5.501 5.523 -4.325 1.00 0.00 C ATOM 802 C LEU A 68 -6.360 5.441 -3.063 1.00 0.00 C ATOM 803 O LEU A 68 -6.251 6.277 -2.167 1.00 0.00 O ATOM 804 CB LEU A 68 -4.006 5.378 -3.991 1.00 0.00 C ATOM 805 CG LEU A 68 -3.666 5.043 -2.537 1.00 0.00 C ATOM 806 CD1 LEU A 68 -4.155 3.646 -2.181 1.00 0.00 C ATOM 807 CD2 LEU A 68 -2.167 5.160 -2.302 1.00 0.00 C ATOM 0 H LEU A 68 -5.325 7.597 -4.569 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.788 4.697 -4.976 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.587 4.600 -4.629 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.505 6.310 -4.254 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.174 5.759 -1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.904 3.426 -1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.236 3.595 -2.312 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.676 2.916 -2.833 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.942 4.919 -1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.641 4.467 -2.958 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.844 6.179 -2.516 1.00 0.00 H new ATOM 819 N LYS A 69 -7.223 4.431 -3.008 1.00 0.00 N ATOM 820 CA LYS A 69 -8.105 4.239 -1.867 1.00 0.00 C ATOM 821 C LYS A 69 -7.645 3.071 -1.006 1.00 0.00 C ATOM 822 O LYS A 69 -6.572 2.508 -1.223 1.00 0.00 O ATOM 823 CB LYS A 69 -9.539 3.997 -2.345 1.00 0.00 C ATOM 824 CG LYS A 69 -10.397 5.250 -2.367 1.00 0.00 C ATOM 825 CD LYS A 69 -10.316 6.010 -1.052 1.00 0.00 C ATOM 826 CE LYS A 69 -11.679 6.519 -0.613 1.00 0.00 C ATOM 827 NZ LYS A 69 -11.774 6.648 0.866 1.00 0.00 N ATOM 0 H LYS A 69 -7.329 3.732 -3.744 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.073 5.145 -1.261 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.511 3.570 -3.347 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.009 3.258 -1.696 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.074 5.898 -3.182 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.433 4.978 -2.567 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.904 5.359 -0.280 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.631 6.851 -1.159 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.871 7.488 -1.075 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.452 5.838 -0.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.719 6.998 1.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.617 5.719 1.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.053 7.317 1.203 1.00 0.00 H new ATOM 841 N ALA A 70 -8.470 2.710 -0.028 1.00 0.00 N ATOM 842 CA ALA A 70 -8.155 1.605 0.869 1.00 0.00 C ATOM 843 C ALA A 70 -8.429 0.263 0.199 1.00 0.00 C ATOM 844 O ALA A 70 -9.279 0.161 -0.685 1.00 0.00 O ATOM 845 CB ALA A 70 -8.953 1.726 2.157 1.00 0.00 C ATOM 0 H ALA A 70 -9.362 3.167 0.163 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.093 1.654 1.108 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.707 0.894 2.817 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.706 2.666 2.651 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.019 1.705 1.928 1.00 0.00 H new ATOM 851 N GLY A 71 -7.703 -0.764 0.624 1.00 0.00 N ATOM 852 CA GLY A 71 -7.881 -2.085 0.050 1.00 0.00 C ATOM 853 C GLY A 71 -6.955 -2.335 -1.126 1.00 0.00 C ATOM 854 O GLY A 71 -6.708 -3.482 -1.497 1.00 0.00 O ATOM 0 H GLY A 71 -6.994 -0.706 1.355 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.701 -2.838 0.817 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.915 -2.201 -0.274 1.00 0.00 H new ATOM 858 N ASP A 72 -6.441 -1.257 -1.712 1.00 0.00 N ATOM 859 CA ASP A 72 -5.537 -1.364 -2.851 1.00 0.00 C ATOM 860 C ASP A 72 -4.273 -2.127 -2.469 1.00 0.00 C ATOM 861 O ASP A 72 -3.750 -1.970 -1.365 1.00 0.00 O ATOM 862 CB ASP A 72 -5.170 0.030 -3.365 1.00 0.00 C ATOM 863 CG ASP A 72 -5.882 0.378 -4.657 1.00 0.00 C ATOM 864 OD1 ASP A 72 -5.915 -0.477 -5.567 1.00 0.00 O ATOM 865 OD2 ASP A 72 -6.408 1.507 -4.760 1.00 0.00 O ATOM 0 H ASP A 72 -6.636 -0.300 -1.416 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.047 -1.914 -3.642 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.419 0.771 -2.606 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.093 0.084 -3.522 1.00 0.00 H new ATOM 870 N ARG A 73 -3.784 -2.953 -3.390 1.00 0.00 N ATOM 871 CA ARG A 73 -2.577 -3.736 -3.146 1.00 0.00 C ATOM 872 C ARG A 73 -1.362 -3.068 -3.779 1.00 0.00 C ATOM 873 O ARG A 73 -1.327 -2.833 -4.986 1.00 0.00 O ATOM 874 CB ARG A 73 -2.739 -5.155 -3.696 1.00 0.00 C ATOM 875 CG ARG A 73 -1.674 -6.124 -3.204 1.00 0.00 C ATOM 876 CD ARG A 73 -0.446 -6.110 -4.102 1.00 0.00 C ATOM 877 NE ARG A 73 -0.099 -7.449 -4.575 1.00 0.00 N ATOM 878 CZ ARG A 73 -0.678 -8.041 -5.620 1.00 0.00 C ATOM 879 NH1 ARG A 73 -1.639 -7.423 -6.296 1.00 0.00 N ATOM 880 NH2 ARG A 73 -0.295 -9.257 -5.987 1.00 0.00 N ATOM 0 H ARG A 73 -4.203 -3.097 -4.309 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.422 -3.791 -2.069 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.721 -5.535 -3.415 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.711 -5.119 -4.785 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.384 -5.861 -2.187 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.087 -7.132 -3.168 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.629 -5.460 -4.957 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.398 -5.688 -3.556 1.00 0.00 H new ATOM 0 HE ARG A 73 0.629 -7.961 -4.076 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.939 -6.489 -6.017 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.077 -7.882 -7.094 1.00 0.00 H new ATOM 0 HH21 ARG A 73 0.441 -9.738 -5.470 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -0.737 -9.711 -6.786 1.00 0.00 H new ATOM 894 N LEU A 74 -0.366 -2.764 -2.953 1.00 0.00 N ATOM 895 CA LEU A 74 0.855 -2.123 -3.428 1.00 0.00 C ATOM 896 C LEU A 74 1.720 -3.113 -4.200 1.00 0.00 C ATOM 897 O LEU A 74 2.293 -4.038 -3.625 1.00 0.00 O ATOM 898 CB LEU A 74 1.640 -1.544 -2.248 1.00 0.00 C ATOM 899 CG LEU A 74 1.385 -0.061 -1.971 1.00 0.00 C ATOM 900 CD1 LEU A 74 0.882 0.143 -0.549 1.00 0.00 C ATOM 901 CD2 LEU A 74 2.649 0.754 -2.212 1.00 0.00 C ATOM 0 H LEU A 74 -0.381 -2.951 -1.950 1.00 0.00 H new ATOM 0 HA LEU A 74 0.578 -1.312 -4.101 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.394 -2.114 -1.352 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.705 -1.686 -2.434 1.00 0.00 H new ATOM 0 HG LEU A 74 0.614 0.286 -2.659 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.707 1.205 -0.374 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.049 -0.406 -0.410 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.628 -0.223 0.157 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.448 1.806 -2.010 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.440 0.402 -1.550 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.965 0.638 -3.249 1.00 0.00 H new ATOM 913 N ILE A 75 1.807 -2.908 -5.510 1.00 0.00 N ATOM 914 CA ILE A 75 2.597 -3.778 -6.370 1.00 0.00 C ATOM 915 C ILE A 75 4.006 -3.227 -6.568 1.00 0.00 C ATOM 916 O ILE A 75 4.953 -3.986 -6.781 1.00 0.00 O ATOM 917 CB ILE A 75 1.928 -3.959 -7.742 1.00 0.00 C ATOM 918 CG1 ILE A 75 0.507 -4.499 -7.552 1.00 0.00 C ATOM 919 CG2 ILE A 75 2.757 -4.890 -8.620 1.00 0.00 C ATOM 920 CD1 ILE A 75 -0.056 -5.193 -8.772 1.00 0.00 C ATOM 0 H ILE A 75 1.339 -2.145 -5.999 1.00 0.00 H new ATOM 0 HA ILE A 75 2.659 -4.746 -5.873 1.00 0.00 H new ATOM 0 HB ILE A 75 1.869 -2.994 -8.245 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.504 -5.198 -6.715 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.151 -3.674 -7.280 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.269 -5.007 -9.588 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.751 -4.466 -8.764 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.844 -5.863 -8.137 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.064 -5.546 -8.557 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.087 -4.493 -9.607 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.577 -6.041 -9.033 1.00 0.00 H new ATOM 932 N GLU A 76 4.139 -1.906 -6.497 1.00 0.00 N ATOM 933 CA GLU A 76 5.440 -1.265 -6.673 1.00 0.00 C ATOM 934 C GLU A 76 5.464 0.133 -6.061 1.00 0.00 C ATOM 935 O GLU A 76 4.418 0.723 -5.787 1.00 0.00 O ATOM 936 CB GLU A 76 5.793 -1.182 -8.160 1.00 0.00 C ATOM 937 CG GLU A 76 6.066 -2.534 -8.799 1.00 0.00 C ATOM 938 CD GLU A 76 6.784 -2.417 -10.129 1.00 0.00 C ATOM 939 OE1 GLU A 76 7.613 -1.494 -10.277 1.00 0.00 O ATOM 940 OE2 GLU A 76 6.519 -3.248 -11.022 1.00 0.00 O ATOM 0 H GLU A 76 3.368 -1.261 -6.320 1.00 0.00 H new ATOM 0 HA GLU A 76 6.180 -1.876 -6.156 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.975 -0.697 -8.692 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.672 -0.549 -8.281 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.666 -3.139 -8.119 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.122 -3.060 -8.945 1.00 0.00 H new ATOM 947 N VAL A 77 6.670 0.654 -5.853 1.00 0.00 N ATOM 948 CA VAL A 77 6.849 1.983 -5.277 1.00 0.00 C ATOM 949 C VAL A 77 8.080 2.666 -5.867 1.00 0.00 C ATOM 950 O VAL A 77 9.202 2.182 -5.715 1.00 0.00 O ATOM 951 CB VAL A 77 6.994 1.917 -3.744 1.00 0.00 C ATOM 952 CG1 VAL A 77 7.168 3.311 -3.158 1.00 0.00 C ATOM 953 CG2 VAL A 77 5.792 1.220 -3.125 1.00 0.00 C ATOM 0 H VAL A 77 7.542 0.173 -6.076 1.00 0.00 H new ATOM 0 HA VAL A 77 5.959 2.562 -5.521 1.00 0.00 H new ATOM 0 HB VAL A 77 7.886 1.337 -3.509 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.268 3.240 -2.075 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.063 3.772 -3.576 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.298 3.920 -3.403 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.911 1.182 -2.042 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.885 1.772 -3.371 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.718 0.206 -3.517 1.00 0.00 H new ATOM 963 N ASN A 78 7.863 3.791 -6.544 1.00 0.00 N ATOM 964 CA ASN A 78 8.957 4.535 -7.158 1.00 0.00 C ATOM 965 C ASN A 78 9.714 3.664 -8.157 1.00 0.00 C ATOM 966 O ASN A 78 10.917 3.831 -8.356 1.00 0.00 O ATOM 967 CB ASN A 78 9.917 5.053 -6.084 1.00 0.00 C ATOM 968 CG ASN A 78 9.542 6.437 -5.592 1.00 0.00 C ATOM 969 OD1 ASN A 78 9.394 6.664 -4.391 1.00 0.00 O ATOM 970 ND2 ASN A 78 9.383 7.373 -6.523 1.00 0.00 N ATOM 0 H ASN A 78 6.941 4.206 -6.681 1.00 0.00 H new ATOM 0 HA ASN A 78 8.531 5.384 -7.693 1.00 0.00 H new ATOM 0 HB2 ASN A 78 9.924 4.361 -5.242 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.930 5.075 -6.486 1.00 0.00 H new ATOM 0 HD21 ASN A 78 9.128 8.323 -6.253 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.516 7.141 -7.507 1.00 0.00 H new ATOM 977 N GLY A 79 8.998 2.735 -8.782 1.00 0.00 N ATOM 978 CA GLY A 79 9.614 1.852 -9.754 1.00 0.00 C ATOM 979 C GLY A 79 10.288 0.654 -9.113 1.00 0.00 C ATOM 980 O GLY A 79 11.127 0.000 -9.734 1.00 0.00 O ATOM 0 H GLY A 79 8.001 2.578 -8.632 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.855 1.505 -10.455 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.350 2.411 -10.332 1.00 0.00 H new ATOM 984 N VAL A 80 9.924 0.362 -7.866 1.00 0.00 N ATOM 985 CA VAL A 80 10.503 -0.764 -7.148 1.00 0.00 C ATOM 986 C VAL A 80 9.494 -1.896 -6.991 1.00 0.00 C ATOM 987 O VAL A 80 8.289 -1.662 -6.894 1.00 0.00 O ATOM 988 CB VAL A 80 11.007 -0.346 -5.751 1.00 0.00 C ATOM 989 CG1 VAL A 80 11.494 -1.555 -4.964 1.00 0.00 C ATOM 990 CG2 VAL A 80 12.108 0.695 -5.874 1.00 0.00 C ATOM 0 H VAL A 80 9.232 0.890 -7.335 1.00 0.00 H new ATOM 0 HA VAL A 80 11.348 -1.112 -7.742 1.00 0.00 H new ATOM 0 HB VAL A 80 10.173 0.096 -5.205 1.00 0.00 H new ATOM 0 HG11 VAL A 80 11.844 -1.234 -3.983 1.00 0.00 H new ATOM 0 HG12 VAL A 80 10.675 -2.264 -4.843 1.00 0.00 H new ATOM 0 HG13 VAL A 80 12.312 -2.034 -5.502 1.00 0.00 H new ATOM 0 HG21 VAL A 80 12.453 0.979 -4.880 1.00 0.00 H new ATOM 0 HG22 VAL A 80 12.940 0.279 -6.441 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.721 1.574 -6.389 1.00 0.00 H new ATOM 1000 N ASP A 81 9.999 -3.123 -6.956 1.00 0.00 N ATOM 1001 CA ASP A 81 9.149 -4.294 -6.797 1.00 0.00 C ATOM 1002 C ASP A 81 9.013 -4.654 -5.324 1.00 0.00 C ATOM 1003 O ASP A 81 9.991 -5.025 -4.672 1.00 0.00 O ATOM 1004 CB ASP A 81 9.726 -5.479 -7.575 1.00 0.00 C ATOM 1005 CG ASP A 81 9.294 -5.482 -9.029 1.00 0.00 C ATOM 1006 OD1 ASP A 81 9.885 -4.722 -9.824 1.00 0.00 O ATOM 1007 OD2 ASP A 81 8.366 -6.243 -9.371 1.00 0.00 O ATOM 0 H ASP A 81 10.994 -3.332 -7.036 1.00 0.00 H new ATOM 0 HA ASP A 81 8.161 -4.060 -7.194 1.00 0.00 H new ATOM 0 HB2 ASP A 81 10.814 -5.449 -7.522 1.00 0.00 H new ATOM 0 HB3 ASP A 81 9.409 -6.409 -7.103 1.00 0.00 H new ATOM 1012 N LEU A 82 7.798 -4.542 -4.800 1.00 0.00 N ATOM 1013 CA LEU A 82 7.538 -4.855 -3.398 1.00 0.00 C ATOM 1014 C LEU A 82 7.234 -6.339 -3.209 1.00 0.00 C ATOM 1015 O LEU A 82 6.668 -6.738 -2.191 1.00 0.00 O ATOM 1016 CB LEU A 82 6.370 -4.018 -2.872 1.00 0.00 C ATOM 1017 CG LEU A 82 6.328 -2.571 -3.368 1.00 0.00 C ATOM 1018 CD1 LEU A 82 4.892 -2.074 -3.424 1.00 0.00 C ATOM 1019 CD2 LEU A 82 7.174 -1.675 -2.473 1.00 0.00 C ATOM 0 H LEU A 82 6.977 -4.237 -5.323 1.00 0.00 H new ATOM 0 HA LEU A 82 8.438 -4.613 -2.833 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.438 -4.508 -3.152 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.411 -4.011 -1.783 1.00 0.00 H new ATOM 0 HG LEU A 82 6.744 -2.536 -4.375 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.877 -1.043 -3.778 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.316 -2.700 -4.106 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.451 -2.121 -2.428 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.132 -0.650 -2.841 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.789 -1.711 -1.454 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.207 -2.022 -2.483 1.00 0.00 H new ATOM 1031 N ALA A 83 7.612 -7.154 -4.190 1.00 0.00 N ATOM 1032 CA ALA A 83 7.375 -8.589 -4.118 1.00 0.00 C ATOM 1033 C ALA A 83 8.598 -9.315 -3.574 1.00 0.00 C ATOM 1034 O ALA A 83 9.460 -9.757 -4.333 1.00 0.00 O ATOM 1035 CB ALA A 83 6.996 -9.133 -5.486 1.00 0.00 C ATOM 0 H ALA A 83 8.082 -6.845 -5.041 1.00 0.00 H new ATOM 0 HA ALA A 83 6.546 -8.764 -3.433 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.822 -10.207 -5.415 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.088 -8.641 -5.835 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.806 -8.942 -6.190 1.00 0.00 H new ATOM 1041 N GLY A 84 8.669 -9.433 -2.253 1.00 0.00 N ATOM 1042 CA GLY A 84 9.793 -10.104 -1.625 1.00 0.00 C ATOM 1043 C GLY A 84 10.582 -9.190 -0.705 1.00 0.00 C ATOM 1044 O GLY A 84 11.667 -9.549 -0.247 1.00 0.00 O ATOM 0 H GLY A 84 7.967 -9.076 -1.605 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.428 -10.959 -1.056 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.455 -10.495 -2.398 1.00 0.00 H new ATOM 1048 N LYS A 85 10.041 -8.003 -0.435 1.00 0.00 N ATOM 1049 CA LYS A 85 10.710 -7.044 0.435 1.00 0.00 C ATOM 1050 C LYS A 85 10.262 -7.219 1.888 1.00 0.00 C ATOM 1051 O LYS A 85 10.831 -8.030 2.622 1.00 0.00 O ATOM 1052 CB LYS A 85 10.440 -5.615 -0.045 1.00 0.00 C ATOM 1053 CG LYS A 85 11.141 -5.271 -1.349 1.00 0.00 C ATOM 1054 CD LYS A 85 11.705 -3.861 -1.326 1.00 0.00 C ATOM 1055 CE LYS A 85 12.264 -3.465 -2.682 1.00 0.00 C ATOM 1056 NZ LYS A 85 13.356 -4.376 -3.121 1.00 0.00 N ATOM 0 H LYS A 85 9.145 -7.686 -0.805 1.00 0.00 H new ATOM 0 HA LYS A 85 11.783 -7.230 0.390 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.366 -5.480 -0.172 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.760 -4.914 0.726 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.947 -5.983 -1.528 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.439 -5.369 -2.177 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.923 -3.160 -1.034 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.491 -3.794 -0.573 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.463 -3.476 -3.422 1.00 0.00 H new ATOM 0 HE3 LYS A 85 12.641 -2.443 -2.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.812 -3.987 -3.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 14.060 -4.465 -2.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.960 -5.313 -3.338 1.00 0.00 H new ATOM 1070 N SER A 86 9.244 -6.463 2.300 1.00 0.00 N ATOM 1071 CA SER A 86 8.722 -6.539 3.663 1.00 0.00 C ATOM 1072 C SER A 86 7.825 -5.342 3.960 1.00 0.00 C ATOM 1073 O SER A 86 7.838 -4.350 3.234 1.00 0.00 O ATOM 1074 CB SER A 86 9.865 -6.592 4.683 1.00 0.00 C ATOM 1075 OG SER A 86 9.922 -7.856 5.321 1.00 0.00 O ATOM 0 H SER A 86 8.763 -5.788 1.705 1.00 0.00 H new ATOM 0 HA SER A 86 8.135 -7.454 3.746 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.812 -6.391 4.183 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.726 -5.810 5.430 1.00 0.00 H new ATOM 0 HG SER A 86 10.248 -8.528 4.687 1.00 0.00 H new ATOM 1081 N GLN A 87 7.057 -5.436 5.038 1.00 0.00 N ATOM 1082 CA GLN A 87 6.168 -4.354 5.435 1.00 0.00 C ATOM 1083 C GLN A 87 6.983 -3.166 5.907 1.00 0.00 C ATOM 1084 O GLN A 87 6.833 -2.056 5.402 1.00 0.00 O ATOM 1085 CB GLN A 87 5.216 -4.818 6.543 1.00 0.00 C ATOM 1086 CG GLN A 87 4.315 -3.716 7.082 1.00 0.00 C ATOM 1087 CD GLN A 87 2.908 -3.784 6.520 1.00 0.00 C ATOM 1088 OE1 GLN A 87 1.999 -4.313 7.158 1.00 0.00 O ATOM 1089 NE2 GLN A 87 2.725 -3.248 5.320 1.00 0.00 N ATOM 0 H GLN A 87 7.032 -6.250 5.652 1.00 0.00 H new ATOM 0 HA GLN A 87 5.571 -4.057 4.573 1.00 0.00 H new ATOM 0 HB2 GLN A 87 4.595 -5.627 6.160 1.00 0.00 H new ATOM 0 HB3 GLN A 87 5.803 -5.229 7.365 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.272 -3.787 8.169 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.751 -2.746 6.843 1.00 0.00 H new ATOM 0 HE21 GLN A 87 3.509 -2.820 4.828 1.00 0.00 H new ATOM 0 HE22 GLN A 87 1.800 -3.264 4.890 1.00 0.00 H new ATOM 1098 N GLU A 88 7.861 -3.412 6.866 1.00 0.00 N ATOM 1099 CA GLU A 88 8.721 -2.365 7.390 1.00 0.00 C ATOM 1100 C GLU A 88 9.643 -1.860 6.289 1.00 0.00 C ATOM 1101 O GLU A 88 10.022 -0.688 6.268 1.00 0.00 O ATOM 1102 CB GLU A 88 9.541 -2.879 8.574 1.00 0.00 C ATOM 1103 CG GLU A 88 9.670 -1.875 9.707 1.00 0.00 C ATOM 1104 CD GLU A 88 10.227 -2.494 10.974 1.00 0.00 C ATOM 1105 OE1 GLU A 88 9.541 -3.354 11.565 1.00 0.00 O ATOM 1106 OE2 GLU A 88 11.348 -2.118 11.375 1.00 0.00 O ATOM 0 H GLU A 88 7.996 -4.327 7.297 1.00 0.00 H new ATOM 0 HA GLU A 88 8.097 -1.543 7.741 1.00 0.00 H new ATOM 0 HB2 GLU A 88 9.079 -3.789 8.957 1.00 0.00 H new ATOM 0 HB3 GLU A 88 10.537 -3.150 8.225 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.318 -1.058 9.391 1.00 0.00 H new ATOM 0 HG3 GLU A 88 8.692 -1.443 9.918 1.00 0.00 H new ATOM 1113 N GLU A 89 9.982 -2.750 5.360 1.00 0.00 N ATOM 1114 CA GLU A 89 10.842 -2.387 4.243 1.00 0.00 C ATOM 1115 C GLU A 89 10.084 -1.473 3.293 1.00 0.00 C ATOM 1116 O GLU A 89 10.562 -0.400 2.925 1.00 0.00 O ATOM 1117 CB GLU A 89 11.320 -3.638 3.505 1.00 0.00 C ATOM 1118 CG GLU A 89 12.375 -4.424 4.264 1.00 0.00 C ATOM 1119 CD GLU A 89 13.155 -5.367 3.370 1.00 0.00 C ATOM 1120 OE1 GLU A 89 13.846 -4.879 2.452 1.00 0.00 O ATOM 1121 OE2 GLU A 89 13.074 -6.594 3.589 1.00 0.00 O ATOM 0 H GLU A 89 9.675 -3.723 5.360 1.00 0.00 H new ATOM 0 HA GLU A 89 11.717 -1.862 4.626 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.465 -4.286 3.312 1.00 0.00 H new ATOM 0 HB3 GLU A 89 11.723 -3.346 2.535 1.00 0.00 H new ATOM 0 HG2 GLU A 89 13.065 -3.730 4.743 1.00 0.00 H new ATOM 0 HG3 GLU A 89 11.895 -4.996 5.058 1.00 0.00 H new ATOM 1128 N VAL A 90 8.887 -1.906 2.918 1.00 0.00 N ATOM 1129 CA VAL A 90 8.032 -1.136 2.026 1.00 0.00 C ATOM 1130 C VAL A 90 7.686 0.210 2.656 1.00 0.00 C ATOM 1131 O VAL A 90 7.816 1.264 2.025 1.00 0.00 O ATOM 1132 CB VAL A 90 6.737 -1.911 1.696 1.00 0.00 C ATOM 1133 CG1 VAL A 90 5.767 -1.043 0.907 1.00 0.00 C ATOM 1134 CG2 VAL A 90 7.064 -3.183 0.927 1.00 0.00 C ATOM 0 H VAL A 90 8.485 -2.793 3.221 1.00 0.00 H new ATOM 0 HA VAL A 90 8.578 -0.966 1.098 1.00 0.00 H new ATOM 0 HB VAL A 90 6.255 -2.185 2.635 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.864 -1.613 0.688 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.507 -0.162 1.494 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.235 -0.731 -0.027 1.00 0.00 H new ATOM 0 HG21 VAL A 90 6.142 -3.719 0.701 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.571 -2.926 -0.003 1.00 0.00 H new ATOM 0 HG23 VAL A 90 7.713 -3.817 1.531 1.00 0.00 H new ATOM 1144 N VAL A 91 7.268 0.168 3.916 1.00 0.00 N ATOM 1145 CA VAL A 91 6.928 1.378 4.645 1.00 0.00 C ATOM 1146 C VAL A 91 8.141 2.292 4.723 1.00 0.00 C ATOM 1147 O VAL A 91 8.013 3.516 4.716 1.00 0.00 O ATOM 1148 CB VAL A 91 6.425 1.062 6.067 1.00 0.00 C ATOM 1149 CG1 VAL A 91 5.998 2.335 6.783 1.00 0.00 C ATOM 1150 CG2 VAL A 91 5.279 0.062 6.020 1.00 0.00 C ATOM 0 H VAL A 91 7.157 -0.693 4.452 1.00 0.00 H new ATOM 0 HA VAL A 91 6.123 1.877 4.106 1.00 0.00 H new ATOM 0 HB VAL A 91 7.246 0.616 6.628 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.646 2.088 7.785 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.847 3.015 6.853 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.194 2.815 6.224 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.938 -0.148 7.034 1.00 0.00 H new ATOM 0 HG22 VAL A 91 4.456 0.479 5.439 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.621 -0.862 5.553 1.00 0.00 H new ATOM 1160 N SER A 92 9.322 1.682 4.782 1.00 0.00 N ATOM 1161 CA SER A 92 10.569 2.433 4.842 1.00 0.00 C ATOM 1162 C SER A 92 10.777 3.209 3.549 1.00 0.00 C ATOM 1163 O SER A 92 11.263 4.340 3.563 1.00 0.00 O ATOM 1164 CB SER A 92 11.748 1.489 5.086 1.00 0.00 C ATOM 1165 OG SER A 92 12.090 1.444 6.461 1.00 0.00 O ATOM 0 H SER A 92 9.440 0.669 4.789 1.00 0.00 H new ATOM 0 HA SER A 92 10.511 3.139 5.671 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.494 0.488 4.738 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.609 1.819 4.505 1.00 0.00 H new ATOM 0 HG SER A 92 11.570 0.741 6.904 1.00 0.00 H new ATOM 1171 N LEU A 93 10.390 2.599 2.428 1.00 0.00 N ATOM 1172 CA LEU A 93 10.522 3.248 1.127 1.00 0.00 C ATOM 1173 C LEU A 93 9.718 4.535 1.113 1.00 0.00 C ATOM 1174 O LEU A 93 10.232 5.605 0.781 1.00 0.00 O ATOM 1175 CB LEU A 93 10.042 2.334 -0.003 1.00 0.00 C ATOM 1176 CG LEU A 93 10.337 0.852 0.191 1.00 0.00 C ATOM 1177 CD1 LEU A 93 9.739 0.034 -0.943 1.00 0.00 C ATOM 1178 CD2 LEU A 93 11.837 0.615 0.293 1.00 0.00 C ATOM 0 H LEU A 93 9.986 1.663 2.396 1.00 0.00 H new ATOM 0 HA LEU A 93 11.577 3.467 0.965 1.00 0.00 H new ATOM 0 HB2 LEU A 93 8.966 2.462 -0.119 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.504 2.661 -0.934 1.00 0.00 H new ATOM 0 HG LEU A 93 9.875 0.529 1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 93 9.961 -1.022 -0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.659 0.179 -0.966 1.00 0.00 H new ATOM 0 HD13 LEU A 93 10.168 0.358 -1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 93 12.029 -0.449 0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.322 0.955 -0.622 1.00 0.00 H new ATOM 0 HD23 LEU A 93 12.236 1.169 1.143 1.00 0.00 H new ATOM 1190 N LEU A 94 8.451 4.424 1.497 1.00 0.00 N ATOM 1191 CA LEU A 94 7.570 5.590 1.550 1.00 0.00 C ATOM 1192 C LEU A 94 8.068 6.560 2.611 1.00 0.00 C ATOM 1193 O LEU A 94 8.129 7.768 2.392 1.00 0.00 O ATOM 1194 CB LEU A 94 6.116 5.194 1.853 1.00 0.00 C ATOM 1195 CG LEU A 94 5.806 3.700 1.792 1.00 0.00 C ATOM 1196 CD1 LEU A 94 4.355 3.444 2.167 1.00 0.00 C ATOM 1197 CD2 LEU A 94 6.105 3.151 0.403 1.00 0.00 C ATOM 0 H LEU A 94 8.011 3.546 1.775 1.00 0.00 H new ATOM 0 HA LEU A 94 7.588 6.067 0.570 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.860 5.558 2.848 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.465 5.710 1.148 1.00 0.00 H new ATOM 0 HG LEU A 94 6.443 3.184 2.510 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.150 2.375 2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.172 3.803 3.180 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.701 3.971 1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.879 2.085 0.377 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.492 3.671 -0.333 1.00 0.00 H new ATOM 0 HD23 LEU A 94 7.159 3.304 0.170 1.00 0.00 H new ATOM 1209 N ARG A 95 8.435 6.010 3.760 1.00 0.00 N ATOM 1210 CA ARG A 95 8.945 6.816 4.863 1.00 0.00 C ATOM 1211 C ARG A 95 10.220 7.543 4.445 1.00 0.00 C ATOM 1212 O ARG A 95 10.508 8.639 4.924 1.00 0.00 O ATOM 1213 CB ARG A 95 9.223 5.937 6.084 1.00 0.00 C ATOM 1214 CG ARG A 95 8.107 5.962 7.116 1.00 0.00 C ATOM 1215 CD ARG A 95 8.600 5.499 8.477 1.00 0.00 C ATOM 1216 NE ARG A 95 7.852 6.116 9.570 1.00 0.00 N ATOM 1217 CZ ARG A 95 8.287 6.172 10.827 1.00 0.00 C ATOM 1218 NH1 ARG A 95 9.465 5.654 11.153 1.00 0.00 N ATOM 1219 NH2 ARG A 95 7.543 6.748 11.761 1.00 0.00 N ATOM 0 H ARG A 95 8.390 5.010 3.954 1.00 0.00 H new ATOM 0 HA ARG A 95 8.188 7.554 5.127 1.00 0.00 H new ATOM 0 HB2 ARG A 95 9.379 4.910 5.754 1.00 0.00 H new ATOM 0 HB3 ARG A 95 10.150 6.265 6.555 1.00 0.00 H new ATOM 0 HG2 ARG A 95 7.707 6.973 7.197 1.00 0.00 H new ATOM 0 HG3 ARG A 95 7.290 5.321 6.786 1.00 0.00 H new ATOM 0 HD2 ARG A 95 8.512 4.415 8.545 1.00 0.00 H new ATOM 0 HD3 ARG A 95 9.658 5.740 8.580 1.00 0.00 H new ATOM 0 HE ARG A 95 6.943 6.528 9.358 1.00 0.00 H new ATOM 0 HH11 ARG A 95 10.042 5.210 10.439 1.00 0.00 H new ATOM 0 HH12 ARG A 95 9.793 5.700 12.118 1.00 0.00 H new ATOM 0 HH21 ARG A 95 6.637 7.148 11.517 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.876 6.791 12.724 1.00 0.00 H new ATOM 1233 N SER A 96 10.980 6.921 3.546 1.00 0.00 N ATOM 1234 CA SER A 96 12.224 7.504 3.060 1.00 0.00 C ATOM 1235 C SER A 96 11.958 8.800 2.301 1.00 0.00 C ATOM 1236 O SER A 96 12.695 9.776 2.442 1.00 0.00 O ATOM 1237 CB SER A 96 12.959 6.511 2.157 1.00 0.00 C ATOM 1238 OG SER A 96 14.288 6.932 1.911 1.00 0.00 O ATOM 0 H SER A 96 10.754 6.013 3.140 1.00 0.00 H new ATOM 0 HA SER A 96 12.850 7.732 3.922 1.00 0.00 H new ATOM 0 HB2 SER A 96 12.967 5.527 2.625 1.00 0.00 H new ATOM 0 HB3 SER A 96 12.425 6.410 1.212 1.00 0.00 H new ATOM 0 HG SER A 96 14.736 6.280 1.333 1.00 0.00 H new ATOM 1244 N THR A 97 10.899 8.803 1.499 1.00 0.00 N ATOM 1245 CA THR A 97 10.533 9.983 0.720 1.00 0.00 C ATOM 1246 C THR A 97 10.306 11.180 1.639 1.00 0.00 C ATOM 1247 O THR A 97 9.599 11.079 2.642 1.00 0.00 O ATOM 1248 CB THR A 97 9.273 9.709 -0.109 1.00 0.00 C ATOM 1249 OG1 THR A 97 8.766 8.413 0.153 1.00 0.00 O ATOM 1250 CG2 THR A 97 9.501 9.810 -1.602 1.00 0.00 C ATOM 0 H THR A 97 10.279 8.003 1.370 1.00 0.00 H new ATOM 0 HA THR A 97 11.354 10.214 0.042 1.00 0.00 H new ATOM 0 HB THR A 97 8.565 10.481 0.191 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.209 8.436 0.959 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.568 9.604 -2.127 1.00 0.00 H new ATOM 0 HG22 THR A 97 9.844 10.814 -1.851 1.00 0.00 H new ATOM 0 HG23 THR A 97 10.256 9.084 -1.905 1.00 0.00 H new ATOM 1258 N LYS A 98 10.911 12.310 1.293 1.00 0.00 N ATOM 1259 CA LYS A 98 10.779 13.524 2.090 1.00 0.00 C ATOM 1260 C LYS A 98 9.795 14.495 1.449 1.00 0.00 C ATOM 1261 O LYS A 98 9.192 14.195 0.417 1.00 0.00 O ATOM 1262 CB LYS A 98 12.139 14.196 2.262 1.00 0.00 C ATOM 1263 CG LYS A 98 12.772 14.615 0.949 1.00 0.00 C ATOM 1264 CD LYS A 98 13.908 13.684 0.555 1.00 0.00 C ATOM 1265 CE LYS A 98 14.347 13.917 -0.881 1.00 0.00 C ATOM 1266 NZ LYS A 98 14.650 12.639 -1.583 1.00 0.00 N ATOM 0 H LYS A 98 11.498 12.411 0.465 1.00 0.00 H new ATOM 0 HA LYS A 98 10.394 13.243 3.070 1.00 0.00 H new ATOM 0 HB2 LYS A 98 12.025 15.073 2.899 1.00 0.00 H new ATOM 0 HB3 LYS A 98 12.812 13.512 2.780 1.00 0.00 H new ATOM 0 HG2 LYS A 98 12.015 14.620 0.164 1.00 0.00 H new ATOM 0 HG3 LYS A 98 13.149 15.634 1.035 1.00 0.00 H new ATOM 0 HD2 LYS A 98 14.754 13.837 1.225 1.00 0.00 H new ATOM 0 HD3 LYS A 98 13.590 12.649 0.676 1.00 0.00 H new ATOM 0 HE2 LYS A 98 13.562 14.449 -1.419 1.00 0.00 H new ATOM 0 HE3 LYS A 98 15.230 14.555 -0.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 14.946 12.841 -2.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 15.416 12.142 -1.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 13.800 12.040 -1.596 1.00 0.00 H new ATOM 1280 N MET A 99 9.640 15.665 2.063 1.00 0.00 N ATOM 1281 CA MET A 99 8.730 16.685 1.550 1.00 0.00 C ATOM 1282 C MET A 99 9.064 17.027 0.101 1.00 0.00 C ATOM 1283 O MET A 99 10.226 16.984 -0.304 1.00 0.00 O ATOM 1284 CB MET A 99 8.801 17.945 2.415 1.00 0.00 C ATOM 1285 CG MET A 99 7.696 18.031 3.457 1.00 0.00 C ATOM 1286 SD MET A 99 8.306 17.829 5.143 1.00 0.00 S ATOM 1287 CE MET A 99 8.707 16.083 5.151 1.00 0.00 C ATOM 0 H MET A 99 10.132 15.930 2.916 1.00 0.00 H new ATOM 0 HA MET A 99 7.716 16.287 1.588 1.00 0.00 H new ATOM 0 HB2 MET A 99 9.767 17.976 2.919 1.00 0.00 H new ATOM 0 HB3 MET A 99 8.750 18.822 1.770 1.00 0.00 H new ATOM 0 HG2 MET A 99 7.195 18.995 3.370 1.00 0.00 H new ATOM 0 HG3 MET A 99 6.949 17.264 3.252 1.00 0.00 H new ATOM 0 HE1 MET A 99 8.397 15.643 6.099 1.00 0.00 H new ATOM 0 HE2 MET A 99 8.186 15.586 4.333 1.00 0.00 H new ATOM 0 HE3 MET A 99 9.782 15.956 5.026 1.00 0.00 H new ATOM 1297 N GLU A 100 8.040 17.359 -0.678 1.00 0.00 N ATOM 1298 CA GLU A 100 8.232 17.700 -2.083 1.00 0.00 C ATOM 1299 C GLU A 100 8.870 16.535 -2.830 1.00 0.00 C ATOM 1300 O GLU A 100 10.086 16.498 -3.023 1.00 0.00 O ATOM 1301 CB GLU A 100 9.104 18.949 -2.214 1.00 0.00 C ATOM 1302 CG GLU A 100 8.609 20.125 -1.387 1.00 0.00 C ATOM 1303 CD GLU A 100 9.713 21.107 -1.051 1.00 0.00 C ATOM 1304 OE1 GLU A 100 10.696 20.696 -0.400 1.00 0.00 O ATOM 1305 OE2 GLU A 100 9.596 22.288 -1.441 1.00 0.00 O ATOM 0 H GLU A 100 7.071 17.399 -0.361 1.00 0.00 H new ATOM 0 HA GLU A 100 7.257 17.906 -2.524 1.00 0.00 H new ATOM 0 HB2 GLU A 100 10.122 18.705 -1.911 1.00 0.00 H new ATOM 0 HB3 GLU A 100 9.146 19.245 -3.262 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.821 20.643 -1.934 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.165 19.754 -0.464 1.00 0.00 H new ATOM 1312 N GLY A 101 8.042 15.584 -3.245 1.00 0.00 N ATOM 1313 CA GLY A 101 8.533 14.427 -3.960 1.00 0.00 C ATOM 1314 C GLY A 101 7.408 13.511 -4.386 1.00 0.00 C ATOM 1315 O GLY A 101 6.833 12.795 -3.564 1.00 0.00 O ATOM 0 H GLY A 101 7.033 15.596 -3.097 1.00 0.00 H new ATOM 0 HA2 GLY A 101 9.090 14.752 -4.839 1.00 0.00 H new ATOM 0 HA3 GLY A 101 9.230 13.877 -3.327 1.00 0.00 H new ATOM 1319 N THR A 102 7.086 13.543 -5.670 1.00 0.00 N ATOM 1320 CA THR A 102 6.014 12.718 -6.209 1.00 0.00 C ATOM 1321 C THR A 102 6.415 11.248 -6.227 1.00 0.00 C ATOM 1322 O THR A 102 7.255 10.830 -7.025 1.00 0.00 O ATOM 1323 CB THR A 102 5.652 13.176 -7.623 1.00 0.00 C ATOM 1324 OG1 THR A 102 5.503 14.584 -7.670 1.00 0.00 O ATOM 1325 CG2 THR A 102 4.372 12.559 -8.140 1.00 0.00 C ATOM 0 H THR A 102 7.552 14.132 -6.360 1.00 0.00 H new ATOM 0 HA THR A 102 5.143 12.831 -5.563 1.00 0.00 H new ATOM 0 HB THR A 102 6.476 12.846 -8.256 1.00 0.00 H new ATOM 0 HG1 THR A 102 5.273 14.858 -8.582 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.172 12.925 -9.147 1.00 0.00 H new ATOM 0 HG22 THR A 102 4.474 11.474 -8.162 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.545 12.833 -7.484 1.00 0.00 H new ATOM 1333 N VAL A 103 5.805 10.469 -5.341 1.00 0.00 N ATOM 1334 CA VAL A 103 6.090 9.043 -5.249 1.00 0.00 C ATOM 1335 C VAL A 103 5.090 8.240 -6.073 1.00 0.00 C ATOM 1336 O VAL A 103 3.890 8.258 -5.798 1.00 0.00 O ATOM 1337 CB VAL A 103 6.049 8.557 -3.786 1.00 0.00 C ATOM 1338 CG1 VAL A 103 6.469 7.098 -3.688 1.00 0.00 C ATOM 1339 CG2 VAL A 103 6.929 9.432 -2.910 1.00 0.00 C ATOM 0 H VAL A 103 5.108 10.803 -4.675 1.00 0.00 H new ATOM 0 HA VAL A 103 7.094 8.887 -5.643 1.00 0.00 H new ATOM 0 HB VAL A 103 5.022 8.636 -3.428 1.00 0.00 H new ATOM 0 HG11 VAL A 103 6.432 6.778 -2.647 1.00 0.00 H new ATOM 0 HG12 VAL A 103 5.791 6.484 -4.281 1.00 0.00 H new ATOM 0 HG13 VAL A 103 7.485 6.986 -4.066 1.00 0.00 H new ATOM 0 HG21 VAL A 103 6.888 9.075 -1.881 1.00 0.00 H new ATOM 0 HG22 VAL A 103 7.957 9.388 -3.269 1.00 0.00 H new ATOM 0 HG23 VAL A 103 6.574 10.462 -2.951 1.00 0.00 H new ATOM 1349 N SER A 104 5.589 7.541 -7.085 1.00 0.00 N ATOM 1350 CA SER A 104 4.734 6.737 -7.950 1.00 0.00 C ATOM 1351 C SER A 104 4.493 5.363 -7.336 1.00 0.00 C ATOM 1352 O SER A 104 5.360 4.491 -7.381 1.00 0.00 O ATOM 1353 CB SER A 104 5.367 6.589 -9.334 1.00 0.00 C ATOM 1354 OG SER A 104 6.762 6.362 -9.237 1.00 0.00 O ATOM 0 H SER A 104 6.580 7.514 -7.327 1.00 0.00 H new ATOM 0 HA SER A 104 3.775 7.246 -8.054 1.00 0.00 H new ATOM 0 HB2 SER A 104 4.897 5.761 -9.865 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.182 7.490 -9.920 1.00 0.00 H new ATOM 0 HG SER A 104 7.142 6.269 -10.136 1.00 0.00 H new ATOM 1360 N LEU A 105 3.311 5.181 -6.760 1.00 0.00 N ATOM 1361 CA LEU A 105 2.957 3.917 -6.130 1.00 0.00 C ATOM 1362 C LEU A 105 1.977 3.130 -6.989 1.00 0.00 C ATOM 1363 O LEU A 105 0.817 3.518 -7.141 1.00 0.00 O ATOM 1364 CB LEU A 105 2.353 4.168 -4.748 1.00 0.00 C ATOM 1365 CG LEU A 105 3.052 5.252 -3.922 1.00 0.00 C ATOM 1366 CD1 LEU A 105 2.062 6.328 -3.500 1.00 0.00 C ATOM 1367 CD2 LEU A 105 3.731 4.643 -2.705 1.00 0.00 C ATOM 0 H LEU A 105 2.582 5.893 -6.717 1.00 0.00 H new ATOM 0 HA LEU A 105 3.867 3.327 -6.024 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.306 4.445 -4.871 1.00 0.00 H new ATOM 0 HB3 LEU A 105 2.372 3.235 -4.185 1.00 0.00 H new ATOM 0 HG LEU A 105 3.816 5.716 -4.545 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.579 7.088 -2.914 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.625 6.788 -4.386 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.273 5.880 -2.897 1.00 0.00 H new ATOM 0 HD21 LEU A 105 4.222 5.429 -2.131 1.00 0.00 H new ATOM 0 HD22 LEU A 105 2.986 4.150 -2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 105 4.473 3.913 -3.029 1.00 0.00 H new ATOM 1379 N LEU A 106 2.443 2.015 -7.542 1.00 0.00 N ATOM 1380 CA LEU A 106 1.599 1.168 -8.372 1.00 0.00 C ATOM 1381 C LEU A 106 0.736 0.271 -7.496 1.00 0.00 C ATOM 1382 O LEU A 106 1.241 -0.635 -6.833 1.00 0.00 O ATOM 1383 CB LEU A 106 2.455 0.316 -9.312 1.00 0.00 C ATOM 1384 CG LEU A 106 1.672 -0.483 -10.355 1.00 0.00 C ATOM 1385 CD1 LEU A 106 1.480 0.337 -11.620 1.00 0.00 C ATOM 1386 CD2 LEU A 106 2.384 -1.791 -10.668 1.00 0.00 C ATOM 0 H LEU A 106 3.399 1.679 -7.430 1.00 0.00 H new ATOM 0 HA LEU A 106 0.952 1.806 -8.973 1.00 0.00 H new ATOM 0 HB2 LEU A 106 3.159 0.968 -9.829 1.00 0.00 H new ATOM 0 HB3 LEU A 106 3.045 -0.378 -8.713 1.00 0.00 H new ATOM 0 HG LEU A 106 0.689 -0.716 -9.945 1.00 0.00 H new ATOM 0 HD11 LEU A 106 0.921 -0.247 -12.351 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.928 1.247 -11.384 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.453 0.601 -12.034 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.813 -2.347 -11.412 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.379 -1.579 -11.058 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.470 -2.385 -9.758 1.00 0.00 H new ATOM 1398 N VAL A 107 -0.564 0.536 -7.483 1.00 0.00 N ATOM 1399 CA VAL A 107 -1.491 -0.242 -6.672 1.00 0.00 C ATOM 1400 C VAL A 107 -2.368 -1.144 -7.535 1.00 0.00 C ATOM 1401 O VAL A 107 -2.329 -1.076 -8.763 1.00 0.00 O ATOM 1402 CB VAL A 107 -2.394 0.677 -5.823 1.00 0.00 C ATOM 1403 CG1 VAL A 107 -1.553 1.677 -5.046 1.00 0.00 C ATOM 1404 CG2 VAL A 107 -3.412 1.398 -6.699 1.00 0.00 C ATOM 0 H VAL A 107 -1.000 1.283 -8.024 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.886 -0.864 -6.012 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.939 0.057 -5.112 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.205 2.318 -4.452 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -0.870 1.143 -4.385 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -0.980 2.289 -5.742 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.037 2.040 -6.078 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.890 2.006 -7.438 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.038 0.665 -7.208 1.00 0.00 H new ATOM 1414 N PHE A 108 -3.164 -1.978 -6.879 1.00 0.00 N ATOM 1415 CA PHE A 108 -4.064 -2.885 -7.576 1.00 0.00 C ATOM 1416 C PHE A 108 -5.483 -2.740 -7.037 1.00 0.00 C ATOM 1417 O PHE A 108 -5.752 -3.067 -5.880 1.00 0.00 O ATOM 1418 CB PHE A 108 -3.591 -4.331 -7.430 1.00 0.00 C ATOM 1419 CG PHE A 108 -4.458 -5.325 -8.152 1.00 0.00 C ATOM 1420 CD1 PHE A 108 -5.702 -5.672 -7.650 1.00 0.00 C ATOM 1421 CD2 PHE A 108 -4.028 -5.911 -9.332 1.00 0.00 C ATOM 1422 CE1 PHE A 108 -6.502 -6.584 -8.312 1.00 0.00 C ATOM 1423 CE2 PHE A 108 -4.823 -6.824 -9.998 1.00 0.00 C ATOM 1424 CZ PHE A 108 -6.061 -7.162 -9.486 1.00 0.00 C ATOM 0 H PHE A 108 -3.204 -2.045 -5.862 1.00 0.00 H new ATOM 0 HA PHE A 108 -4.061 -2.625 -8.635 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -2.571 -4.410 -7.806 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -3.561 -4.589 -6.371 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -6.050 -5.225 -6.731 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -3.061 -5.651 -9.736 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -7.471 -6.844 -7.912 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -4.477 -7.273 -10.917 1.00 0.00 H new ATOM 0 HZ PHE A 108 -6.683 -7.877 -10.003 1.00 0.00 H new ATOM 1434 N ARG A 109 -6.380 -2.239 -7.877 1.00 0.00 N ATOM 1435 CA ARG A 109 -7.769 -2.039 -7.480 1.00 0.00 C ATOM 1436 C ARG A 109 -8.598 -3.296 -7.721 1.00 0.00 C ATOM 1437 O ARG A 109 -8.641 -3.822 -8.834 1.00 0.00 O ATOM 1438 CB ARG A 109 -8.374 -0.861 -8.241 1.00 0.00 C ATOM 1439 CG ARG A 109 -9.474 -0.145 -7.478 1.00 0.00 C ATOM 1440 CD ARG A 109 -8.912 0.678 -6.331 1.00 0.00 C ATOM 1441 NE ARG A 109 -9.867 0.813 -5.234 1.00 0.00 N ATOM 1442 CZ ARG A 109 -10.888 1.668 -5.240 1.00 0.00 C ATOM 1443 NH1 ARG A 109 -11.089 2.464 -6.283 1.00 0.00 N ATOM 1444 NH2 ARG A 109 -11.710 1.726 -4.201 1.00 0.00 N ATOM 0 H ARG A 109 -6.171 -1.964 -8.837 1.00 0.00 H new ATOM 0 HA ARG A 109 -7.784 -1.820 -6.412 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -7.584 -0.148 -8.478 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -8.775 -1.219 -9.189 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -10.026 0.505 -8.157 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -10.183 -0.876 -7.089 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -8.000 0.209 -5.962 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -8.637 1.668 -6.696 1.00 0.00 H new ATOM 0 HE ARG A 109 -9.745 0.217 -4.415 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -10.460 2.423 -7.085 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -11.873 3.117 -6.283 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -11.560 1.116 -3.397 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -12.492 2.381 -4.205 1.00 0.00 H new ATOM 1458 N GLN A 110 -9.259 -3.769 -6.671 1.00 0.00 N ATOM 1459 CA GLN A 110 -10.092 -4.961 -6.762 1.00 0.00 C ATOM 1460 C GLN A 110 -11.555 -4.582 -6.977 1.00 0.00 C ATOM 1461 O GLN A 110 -11.980 -3.484 -6.618 1.00 0.00 O ATOM 1462 CB GLN A 110 -9.949 -5.806 -5.493 1.00 0.00 C ATOM 1463 CG GLN A 110 -9.653 -7.271 -5.765 1.00 0.00 C ATOM 1464 CD GLN A 110 -9.504 -8.081 -4.491 1.00 0.00 C ATOM 1465 OE1 GLN A 110 -10.355 -8.025 -3.604 1.00 0.00 O ATOM 1466 NE2 GLN A 110 -8.416 -8.836 -4.394 1.00 0.00 N ATOM 0 H GLN A 110 -9.234 -3.343 -5.744 1.00 0.00 H new ATOM 0 HA GLN A 110 -9.758 -5.548 -7.618 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -9.150 -5.391 -4.879 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -10.868 -5.732 -4.912 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -10.456 -7.694 -6.369 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -8.737 -7.350 -6.351 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -7.737 -8.852 -5.155 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -8.260 -9.400 -3.559 1.00 0.00 H new ATOM 1475 N GLU A 111 -12.320 -5.495 -7.565 1.00 0.00 N ATOM 1476 CA GLU A 111 -13.734 -5.251 -7.826 1.00 0.00 C ATOM 1477 C GLU A 111 -13.919 -4.045 -8.740 1.00 0.00 C ATOM 1478 O GLU A 111 -13.684 -2.906 -8.335 1.00 0.00 O ATOM 1479 CB GLU A 111 -14.485 -5.029 -6.512 1.00 0.00 C ATOM 1480 CG GLU A 111 -15.983 -5.267 -6.617 1.00 0.00 C ATOM 1481 CD GLU A 111 -16.741 -4.753 -5.408 1.00 0.00 C ATOM 1482 OE1 GLU A 111 -16.853 -3.518 -5.258 1.00 0.00 O ATOM 1483 OE2 GLU A 111 -17.223 -5.585 -4.613 1.00 0.00 O ATOM 0 H GLU A 111 -11.986 -6.409 -7.870 1.00 0.00 H new ATOM 0 HA GLU A 111 -14.142 -6.129 -8.327 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -14.073 -5.692 -5.752 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -14.311 -4.008 -6.172 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -16.363 -4.778 -7.514 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -16.170 -6.335 -6.732 1.00 0.00 H new ATOM 1490 N GLU A 112 -14.339 -4.301 -9.974 1.00 0.00 N ATOM 1491 CA GLU A 112 -14.554 -3.235 -10.945 1.00 0.00 C ATOM 1492 C GLU A 112 -16.031 -2.858 -11.021 1.00 0.00 C ATOM 1493 O GLU A 112 -16.525 -2.449 -12.071 1.00 0.00 O ATOM 1494 CB GLU A 112 -14.049 -3.664 -12.326 1.00 0.00 C ATOM 1495 CG GLU A 112 -12.678 -3.105 -12.672 1.00 0.00 C ATOM 1496 CD GLU A 112 -12.577 -2.669 -14.121 1.00 0.00 C ATOM 1497 OE1 GLU A 112 -13.445 -1.890 -14.567 1.00 0.00 O ATOM 1498 OE2 GLU A 112 -11.631 -3.105 -14.807 1.00 0.00 O ATOM 0 H GLU A 112 -14.537 -5.238 -10.325 1.00 0.00 H new ATOM 0 HA GLU A 112 -13.992 -2.360 -10.618 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -14.010 -4.752 -12.367 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -14.765 -3.342 -13.082 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -12.462 -2.255 -12.024 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -11.919 -3.861 -12.470 1.00 0.00 H new ATOM 1505 N ALA A 113 -16.731 -2.998 -9.900 1.00 0.00 N ATOM 1506 CA ALA A 113 -18.150 -2.672 -9.839 1.00 0.00 C ATOM 1507 C ALA A 113 -18.365 -1.164 -9.770 1.00 0.00 C ATOM 1508 O ALA A 113 -17.592 -0.446 -9.132 1.00 0.00 O ATOM 1509 CB ALA A 113 -18.799 -3.356 -8.645 1.00 0.00 C ATOM 0 H ALA A 113 -16.338 -3.335 -9.021 1.00 0.00 H new ATOM 0 HA ALA A 113 -18.620 -3.038 -10.752 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -19.859 -3.103 -8.613 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -18.686 -4.436 -8.739 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -18.317 -3.019 -7.727 1.00 0.00 H new TER 1515 ALA A 113