USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 649 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 55 GLN : amide:sc= -19.2! C(o=-19!,f=-27!) USER MOD Single : A 8 LYS NZ :NH3+ 160:sc= -0.248 (180deg=-0.73) USER MOD Single : A 12 SER OG : rot -26:sc= 0.296 USER MOD Single : A 16 LYS NZ :NH3+ 179:sc= -1.01 (180deg=-1.01) USER MOD Single : A 19 SER OG : rot -76:sc= -1.04! USER MOD Single : A 23 ASN : amide:sc= 1.13 K(o=1.1,f=-0.27) USER MOD Single : A 24 GLN : amide:sc= -3.21 K(o=-3.2,f=-4.1!) USER MOD Single : A 25 GLN : amide:sc= -6.43 K(o=-6.4,f=-13!) USER MOD Single : A 33 SER OG : rot 101:sc= -0.821 USER MOD Single : A 37 MET CE :methyl -159:sc= -2.52 (180deg=-3.32!) USER MOD Single : A 39 THR OG1 : rot -65:sc= 0.405 USER MOD Single : A 45 MET CE :methyl -107:sc= 0 (180deg=-1.45!) USER MOD Single : A 46 ASN : amide:sc= -0.242 K(o=-0.24,f=-1.9!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.206 K(o=-0.21,f=-1.6!) USER MOD Single : A 52 TYR OH : rot 126:sc= -2.32! USER MOD Single : A 54 GLN : amide:sc= 0.0348 X(o=0.035,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.564 USER MOD Single : A 61 GLN : amide:sc= -0.0511 X(o=-0.051,f=-0.32) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 72 GLN : amide:sc= -1.8! C(o=-1.8!,f=-6.7!) USER MOD Single : A 75 ASN : amide:sc= 1.12 K(o=1.1,f=-0.096) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.0407 K(o=-0.041,f=1) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot -128:sc= -1.44! USER MOD ----------------------------------------------------------------- ATOM 87 N LYS A 8 6.102 21.025 0.269 1.00 0.00 N ATOM 88 CA LYS A 8 6.470 20.025 -0.724 1.00 0.00 C ATOM 89 C LYS A 8 7.242 18.879 -0.083 1.00 0.00 C ATOM 90 O LYS A 8 7.128 17.730 -0.508 1.00 0.00 O ATOM 91 CB LYS A 8 7.304 20.664 -1.837 1.00 0.00 C ATOM 92 CG LYS A 8 6.483 21.104 -3.036 1.00 0.00 C ATOM 93 CD LYS A 8 6.046 22.554 -2.910 1.00 0.00 C ATOM 94 CE LYS A 8 7.224 23.504 -3.049 1.00 0.00 C ATOM 95 NZ LYS A 8 8.039 23.207 -4.260 1.00 0.00 N ATOM 0 HA LYS A 8 5.553 19.622 -1.155 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.833 21.527 -1.433 1.00 0.00 H new ATOM 0 HB3 LYS A 8 8.061 19.952 -2.167 1.00 0.00 H new ATOM 0 HG2 LYS A 8 7.069 20.977 -3.946 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.605 20.465 -3.131 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.303 22.779 -3.675 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.565 22.708 -1.944 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.859 24.530 -3.100 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.853 23.434 -2.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.605 24.042 -4.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.672 22.405 -4.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.409 22.965 -5.052 1.00 0.00 H new ATOM 109 N ASP A 9 8.025 19.195 0.946 1.00 0.00 N ATOM 110 CA ASP A 9 8.805 18.179 1.638 1.00 0.00 C ATOM 111 C ASP A 9 7.879 17.186 2.322 1.00 0.00 C ATOM 112 O ASP A 9 8.102 15.976 2.274 1.00 0.00 O ATOM 113 CB ASP A 9 9.739 18.823 2.665 1.00 0.00 C ATOM 114 CG ASP A 9 10.594 17.802 3.389 1.00 0.00 C ATOM 115 OD1 ASP A 9 10.022 16.899 4.035 1.00 0.00 O ATOM 116 OD2 ASP A 9 11.837 17.907 3.314 1.00 0.00 O ATOM 0 H ASP A 9 8.134 20.140 1.315 1.00 0.00 H new ATOM 0 HA ASP A 9 9.413 17.650 0.904 1.00 0.00 H new ATOM 0 HB2 ASP A 9 10.385 19.543 2.163 1.00 0.00 H new ATOM 0 HB3 ASP A 9 9.147 19.378 3.392 1.00 0.00 H new ATOM 121 N LEU A 10 6.824 17.703 2.941 1.00 0.00 N ATOM 122 CA LEU A 10 5.854 16.855 3.612 1.00 0.00 C ATOM 123 C LEU A 10 5.176 15.949 2.595 1.00 0.00 C ATOM 124 O LEU A 10 5.033 14.741 2.814 1.00 0.00 O ATOM 125 CB LEU A 10 4.813 17.704 4.343 1.00 0.00 C ATOM 126 CG LEU A 10 3.808 16.912 5.185 1.00 0.00 C ATOM 127 CD1 LEU A 10 4.064 17.127 6.669 1.00 0.00 C ATOM 128 CD2 LEU A 10 2.384 17.307 4.828 1.00 0.00 C ATOM 0 H LEU A 10 6.621 18.701 2.991 1.00 0.00 H new ATOM 0 HA LEU A 10 6.372 16.241 4.349 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.332 18.409 4.992 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.264 18.292 3.607 1.00 0.00 H new ATOM 0 HG LEU A 10 3.938 15.852 4.965 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.340 16.556 7.250 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.072 16.793 6.917 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.964 18.186 6.906 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.684 16.734 5.436 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.243 18.371 5.018 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.202 17.100 3.773 1.00 0.00 H new ATOM 140 N ILE A 11 4.786 16.530 1.462 1.00 0.00 N ATOM 141 CA ILE A 11 4.154 15.755 0.411 1.00 0.00 C ATOM 142 C ILE A 11 5.111 14.671 -0.065 1.00 0.00 C ATOM 143 O ILE A 11 4.766 13.489 -0.072 1.00 0.00 O ATOM 144 CB ILE A 11 3.741 16.640 -0.784 1.00 0.00 C ATOM 145 CG1 ILE A 11 2.863 17.799 -0.307 1.00 0.00 C ATOM 146 CG2 ILE A 11 3.010 15.816 -1.834 1.00 0.00 C ATOM 147 CD1 ILE A 11 2.781 18.940 -1.296 1.00 0.00 C ATOM 0 H ILE A 11 4.897 17.523 1.255 1.00 0.00 H new ATOM 0 HA ILE A 11 3.250 15.306 0.822 1.00 0.00 H new ATOM 0 HB ILE A 11 4.643 17.050 -1.238 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.858 17.426 -0.110 1.00 0.00 H new ATOM 0 HG13 ILE A 11 3.254 18.175 0.638 1.00 0.00 H new ATOM 0 HG21 ILE A 11 2.727 16.458 -2.668 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.664 15.021 -2.193 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.114 15.378 -1.394 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.143 19.726 -0.893 1.00 0.00 H new ATOM 0 HD12 ILE A 11 3.779 19.339 -1.474 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.362 18.578 -2.235 1.00 0.00 H new ATOM 159 N SER A 12 6.323 15.074 -0.457 1.00 0.00 N ATOM 160 CA SER A 12 7.324 14.126 -0.922 1.00 0.00 C ATOM 161 C SER A 12 7.511 13.004 0.089 1.00 0.00 C ATOM 162 O SER A 12 7.629 11.842 -0.278 1.00 0.00 O ATOM 163 CB SER A 12 8.657 14.837 -1.167 1.00 0.00 C ATOM 164 OG SER A 12 9.137 15.447 0.018 1.00 0.00 O ATOM 0 H SER A 12 6.628 16.047 -0.460 1.00 0.00 H new ATOM 0 HA SER A 12 6.976 13.694 -1.860 1.00 0.00 H new ATOM 0 HB2 SER A 12 9.392 14.121 -1.534 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.532 15.592 -1.943 1.00 0.00 H new ATOM 0 HG SER A 12 8.382 15.661 0.605 1.00 0.00 H new ATOM 170 N ALA A 13 7.542 13.365 1.365 1.00 0.00 N ATOM 171 CA ALA A 13 7.725 12.373 2.418 1.00 0.00 C ATOM 172 C ALA A 13 6.622 11.330 2.348 1.00 0.00 C ATOM 173 O ALA A 13 6.880 10.130 2.457 1.00 0.00 O ATOM 174 CB ALA A 13 7.768 13.035 3.785 1.00 0.00 C ATOM 0 H ALA A 13 7.444 14.325 1.694 1.00 0.00 H new ATOM 0 HA ALA A 13 8.682 11.874 2.265 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.905 12.274 4.554 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.597 13.741 3.821 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.832 13.565 3.962 1.00 0.00 H new ATOM 180 N GLY A 14 5.403 11.783 2.096 1.00 0.00 N ATOM 181 CA GLY A 14 4.298 10.856 1.938 1.00 0.00 C ATOM 182 C GLY A 14 4.470 10.056 0.658 1.00 0.00 C ATOM 183 O GLY A 14 4.006 8.922 0.539 1.00 0.00 O ATOM 0 H GLY A 14 5.158 12.768 1.998 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.252 10.183 2.794 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.355 11.402 1.911 1.00 0.00 H new ATOM 187 N LEU A 15 5.154 10.684 -0.298 1.00 0.00 N ATOM 188 CA LEU A 15 5.418 10.068 -1.592 1.00 0.00 C ATOM 189 C LEU A 15 6.437 8.944 -1.468 1.00 0.00 C ATOM 190 O LEU A 15 6.132 7.796 -1.766 1.00 0.00 O ATOM 191 CB LEU A 15 5.894 11.109 -2.601 1.00 0.00 C ATOM 192 CG LEU A 15 4.856 11.520 -3.646 1.00 0.00 C ATOM 193 CD1 LEU A 15 4.950 13.010 -3.934 1.00 0.00 C ATOM 194 CD2 LEU A 15 5.037 10.715 -4.925 1.00 0.00 C ATOM 0 H LEU A 15 5.536 11.624 -0.197 1.00 0.00 H new ATOM 0 HA LEU A 15 4.483 9.640 -1.952 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.213 11.999 -2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.771 10.718 -3.117 1.00 0.00 H new ATOM 0 HG LEU A 15 3.864 11.310 -3.246 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.204 13.284 -4.680 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.769 13.570 -3.017 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.945 13.245 -4.312 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.289 11.021 -5.657 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.034 10.892 -5.329 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.917 9.654 -4.707 1.00 0.00 H new ATOM 206 N LYS A 16 7.646 9.272 -1.033 1.00 0.00 N ATOM 207 CA LYS A 16 8.690 8.262 -0.883 1.00 0.00 C ATOM 208 C LYS A 16 8.236 7.188 0.090 1.00 0.00 C ATOM 209 O LYS A 16 8.571 6.013 -0.054 1.00 0.00 O ATOM 210 CB LYS A 16 9.999 8.883 -0.383 1.00 0.00 C ATOM 211 CG LYS A 16 10.259 10.288 -0.898 1.00 0.00 C ATOM 212 CD LYS A 16 10.108 10.374 -2.409 1.00 0.00 C ATOM 213 CE LYS A 16 10.148 11.815 -2.893 1.00 0.00 C ATOM 214 NZ LYS A 16 8.809 12.289 -3.340 1.00 0.00 N ATOM 0 H LYS A 16 7.928 10.219 -0.780 1.00 0.00 H new ATOM 0 HA LYS A 16 8.871 7.820 -1.863 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.985 8.905 0.707 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.829 8.241 -0.678 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.566 10.983 -0.424 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.265 10.598 -0.615 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.906 9.806 -2.888 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.166 9.915 -2.708 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.511 12.457 -2.091 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.857 11.902 -3.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.876 13.281 -3.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.481 11.703 -4.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.134 12.215 -2.552 1.00 0.00 H new ATOM 228 N GLU A 17 7.465 7.611 1.080 1.00 0.00 N ATOM 229 CA GLU A 17 6.953 6.695 2.086 1.00 0.00 C ATOM 230 C GLU A 17 6.041 5.650 1.455 1.00 0.00 C ATOM 231 O GLU A 17 6.212 4.449 1.672 1.00 0.00 O ATOM 232 CB GLU A 17 6.191 7.467 3.168 1.00 0.00 C ATOM 233 CG GLU A 17 7.087 8.048 4.249 1.00 0.00 C ATOM 234 CD GLU A 17 7.741 6.979 5.103 1.00 0.00 C ATOM 235 OE1 GLU A 17 7.056 6.430 5.993 1.00 0.00 O ATOM 236 OE2 GLU A 17 8.935 6.690 4.882 1.00 0.00 O ATOM 0 H GLU A 17 7.181 8.582 1.208 1.00 0.00 H new ATOM 0 HA GLU A 17 7.801 6.184 2.542 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.631 8.276 2.699 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.462 6.802 3.631 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.860 8.660 3.784 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.499 8.708 4.887 1.00 0.00 H new ATOM 243 N PHE A 18 5.072 6.109 0.669 1.00 0.00 N ATOM 244 CA PHE A 18 4.137 5.204 0.014 1.00 0.00 C ATOM 245 C PHE A 18 4.777 4.468 -1.157 1.00 0.00 C ATOM 246 O PHE A 18 4.550 3.278 -1.340 1.00 0.00 O ATOM 247 CB PHE A 18 2.897 5.962 -0.462 1.00 0.00 C ATOM 248 CG PHE A 18 1.618 5.184 -0.296 1.00 0.00 C ATOM 249 CD1 PHE A 18 1.396 4.418 0.840 1.00 0.00 C ATOM 250 CD2 PHE A 18 0.643 5.211 -1.281 1.00 0.00 C ATOM 251 CE1 PHE A 18 0.227 3.697 0.989 1.00 0.00 C ATOM 252 CE2 PHE A 18 -0.529 4.492 -1.135 1.00 0.00 C ATOM 253 CZ PHE A 18 -0.737 3.734 0.002 1.00 0.00 C ATOM 0 H PHE A 18 4.915 7.097 0.472 1.00 0.00 H new ATOM 0 HA PHE A 18 3.842 4.460 0.754 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.818 6.898 0.091 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.021 6.222 -1.513 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.146 4.385 1.617 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.801 5.800 -2.172 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.068 3.104 1.878 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.282 4.523 -1.909 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.652 3.172 0.118 1.00 0.00 H new ATOM 263 N SER A 19 5.570 5.174 -1.952 1.00 0.00 N ATOM 264 CA SER A 19 6.221 4.560 -3.104 1.00 0.00 C ATOM 265 C SER A 19 7.168 3.451 -2.659 1.00 0.00 C ATOM 266 O SER A 19 7.092 2.322 -3.148 1.00 0.00 O ATOM 267 CB SER A 19 6.984 5.612 -3.908 1.00 0.00 C ATOM 268 OG SER A 19 7.981 6.233 -3.117 1.00 0.00 O ATOM 0 H SER A 19 5.778 6.164 -1.823 1.00 0.00 H new ATOM 0 HA SER A 19 5.450 4.123 -3.739 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.444 5.145 -4.779 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.289 6.365 -4.280 1.00 0.00 H new ATOM 0 HG SER A 19 7.562 6.879 -2.510 1.00 0.00 H new ATOM 274 N VAL A 20 8.049 3.775 -1.719 1.00 0.00 N ATOM 275 CA VAL A 20 8.998 2.799 -1.204 1.00 0.00 C ATOM 276 C VAL A 20 8.269 1.693 -0.454 1.00 0.00 C ATOM 277 O VAL A 20 8.670 0.530 -0.495 1.00 0.00 O ATOM 278 CB VAL A 20 10.033 3.456 -0.270 1.00 0.00 C ATOM 279 CG1 VAL A 20 11.047 2.430 0.217 1.00 0.00 C ATOM 280 CG2 VAL A 20 10.731 4.609 -0.974 1.00 0.00 C ATOM 0 H VAL A 20 8.125 4.702 -1.301 1.00 0.00 H new ATOM 0 HA VAL A 20 9.525 2.374 -2.058 1.00 0.00 H new ATOM 0 HB VAL A 20 9.507 3.852 0.599 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.768 2.915 0.875 1.00 0.00 H new ATOM 0 HG12 VAL A 20 10.532 1.640 0.763 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.568 1.999 -0.638 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.458 5.061 -0.299 1.00 0.00 H new ATOM 0 HG22 VAL A 20 11.242 4.237 -1.862 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.994 5.357 -1.266 1.00 0.00 H new ATOM 290 N LEU A 21 7.192 2.064 0.233 1.00 0.00 N ATOM 291 CA LEU A 21 6.406 1.102 0.990 1.00 0.00 C ATOM 292 C LEU A 21 5.669 0.143 0.059 1.00 0.00 C ATOM 293 O LEU A 21 5.625 -1.049 0.314 1.00 0.00 O ATOM 294 CB LEU A 21 5.409 1.833 1.901 1.00 0.00 C ATOM 295 CG LEU A 21 4.264 0.980 2.463 1.00 0.00 C ATOM 296 CD1 LEU A 21 4.631 0.422 3.829 1.00 0.00 C ATOM 297 CD2 LEU A 21 2.984 1.801 2.551 1.00 0.00 C ATOM 0 H LEU A 21 6.846 3.023 0.279 1.00 0.00 H new ATOM 0 HA LEU A 21 7.087 0.516 1.608 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.959 2.264 2.737 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.977 2.663 1.342 1.00 0.00 H new ATOM 0 HG LEU A 21 4.095 0.143 1.785 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.806 -0.180 4.210 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.522 -0.199 3.741 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.828 1.244 4.517 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.181 1.182 2.951 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.145 2.656 3.208 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.709 2.154 1.557 1.00 0.00 H new ATOM 309 N LEU A 22 5.076 0.672 -1.005 1.00 0.00 N ATOM 310 CA LEU A 22 4.328 -0.153 -1.951 1.00 0.00 C ATOM 311 C LEU A 22 5.250 -1.066 -2.756 1.00 0.00 C ATOM 312 O LEU A 22 4.857 -2.163 -3.151 1.00 0.00 O ATOM 313 CB LEU A 22 3.507 0.726 -2.906 1.00 0.00 C ATOM 314 CG LEU A 22 2.406 1.583 -2.258 1.00 0.00 C ATOM 315 CD1 LEU A 22 1.181 1.648 -3.157 1.00 0.00 C ATOM 316 CD2 LEU A 22 2.026 1.049 -0.882 1.00 0.00 C ATOM 0 H LEU A 22 5.097 1.665 -1.235 1.00 0.00 H new ATOM 0 HA LEU A 22 3.653 -0.779 -1.368 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.191 1.389 -3.436 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.045 0.082 -3.654 1.00 0.00 H new ATOM 0 HG LEU A 22 2.801 2.591 -2.130 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.413 2.258 -2.682 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.455 2.091 -4.115 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.795 0.642 -3.320 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.246 1.676 -0.451 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.659 0.027 -0.977 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.901 1.061 -0.233 1.00 0.00 H new ATOM 328 N ASN A 23 6.471 -0.607 -3.006 1.00 0.00 N ATOM 329 CA ASN A 23 7.433 -1.391 -3.777 1.00 0.00 C ATOM 330 C ASN A 23 8.026 -2.533 -2.951 1.00 0.00 C ATOM 331 O ASN A 23 8.414 -3.566 -3.498 1.00 0.00 O ATOM 332 CB ASN A 23 8.553 -0.486 -4.294 1.00 0.00 C ATOM 333 CG ASN A 23 8.202 0.175 -5.612 1.00 0.00 C ATOM 334 OD1 ASN A 23 8.393 -0.403 -6.681 1.00 0.00 O ATOM 335 ND2 ASN A 23 7.683 1.396 -5.543 1.00 0.00 N ATOM 0 H ASN A 23 6.818 0.298 -2.689 1.00 0.00 H new ATOM 0 HA ASN A 23 6.900 -1.831 -4.620 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.767 0.283 -3.551 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.463 -1.073 -4.417 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.426 1.890 -6.398 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.541 1.839 -4.635 1.00 0.00 H new ATOM 342 N GLN A 24 8.105 -2.342 -1.638 1.00 0.00 N ATOM 343 CA GLN A 24 8.665 -3.358 -0.745 1.00 0.00 C ATOM 344 C GLN A 24 7.627 -3.858 0.256 1.00 0.00 C ATOM 345 O GLN A 24 7.395 -5.059 0.391 1.00 0.00 O ATOM 346 CB GLN A 24 9.863 -2.779 0.007 1.00 0.00 C ATOM 347 CG GLN A 24 11.119 -2.673 -0.841 1.00 0.00 C ATOM 348 CD GLN A 24 11.027 -1.581 -1.887 1.00 0.00 C ATOM 349 OE1 GLN A 24 11.045 -1.851 -3.088 1.00 0.00 O ATOM 350 NE2 GLN A 24 10.925 -0.336 -1.434 1.00 0.00 N ATOM 0 H GLN A 24 7.789 -1.495 -1.166 1.00 0.00 H new ATOM 0 HA GLN A 24 8.981 -4.204 -1.355 1.00 0.00 H new ATOM 0 HB2 GLN A 24 9.603 -1.789 0.381 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.073 -3.403 0.876 1.00 0.00 H new ATOM 0 HG2 GLN A 24 11.974 -2.479 -0.194 1.00 0.00 H new ATOM 0 HG3 GLN A 24 11.302 -3.628 -1.334 1.00 0.00 H new ATOM 0 HE21 GLN A 24 10.914 -0.158 -0.430 1.00 0.00 H new ATOM 0 HE22 GLN A 24 10.858 0.442 -2.091 1.00 0.00 H new ATOM 359 N GLN A 25 6.996 -2.909 0.931 1.00 0.00 N ATOM 360 CA GLN A 25 5.954 -3.200 1.919 1.00 0.00 C ATOM 361 C GLN A 25 6.484 -3.977 3.129 1.00 0.00 C ATOM 362 O GLN A 25 6.026 -3.769 4.252 1.00 0.00 O ATOM 363 CB GLN A 25 4.821 -3.990 1.263 1.00 0.00 C ATOM 364 CG GLN A 25 4.421 -3.463 -0.105 1.00 0.00 C ATOM 365 CD GLN A 25 4.931 -4.329 -1.235 1.00 0.00 C ATOM 366 OE1 GLN A 25 5.929 -4.010 -1.883 1.00 0.00 O ATOM 367 NE2 GLN A 25 4.242 -5.430 -1.474 1.00 0.00 N ATOM 0 H GLN A 25 7.188 -1.914 0.813 1.00 0.00 H new ATOM 0 HA GLN A 25 5.587 -2.241 2.284 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.125 -5.032 1.166 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.950 -3.972 1.918 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.334 -3.400 -0.162 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.805 -2.450 -0.227 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.422 -5.651 -0.909 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.530 -6.059 -2.223 1.00 0.00 H new ATOM 376 N VAL A 26 7.432 -4.886 2.895 1.00 0.00 N ATOM 377 CA VAL A 26 8.003 -5.709 3.959 1.00 0.00 C ATOM 378 C VAL A 26 7.084 -6.883 4.272 1.00 0.00 C ATOM 379 O VAL A 26 5.993 -6.703 4.815 1.00 0.00 O ATOM 380 CB VAL A 26 8.261 -4.900 5.249 1.00 0.00 C ATOM 381 CG1 VAL A 26 9.177 -5.669 6.187 1.00 0.00 C ATOM 382 CG2 VAL A 26 8.849 -3.535 4.918 1.00 0.00 C ATOM 0 H VAL A 26 7.822 -5.071 1.971 1.00 0.00 H new ATOM 0 HA VAL A 26 8.963 -6.076 3.596 1.00 0.00 H new ATOM 0 HB VAL A 26 7.308 -4.745 5.754 1.00 0.00 H new ATOM 0 HG11 VAL A 26 9.347 -5.083 7.090 1.00 0.00 H new ATOM 0 HG12 VAL A 26 8.712 -6.618 6.452 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.130 -5.858 5.692 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.023 -2.981 5.840 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.793 -3.664 4.388 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.152 -2.982 4.288 1.00 0.00 H new ATOM 392 N PHE A 27 7.520 -8.085 3.905 1.00 0.00 N ATOM 393 CA PHE A 27 6.723 -9.287 4.127 1.00 0.00 C ATOM 394 C PHE A 27 7.524 -10.375 4.808 1.00 0.00 C ATOM 395 O PHE A 27 8.379 -11.024 4.205 1.00 0.00 O ATOM 396 CB PHE A 27 6.140 -9.785 2.801 1.00 0.00 C ATOM 397 CG PHE A 27 5.144 -8.832 2.195 1.00 0.00 C ATOM 398 CD1 PHE A 27 4.261 -8.129 3.002 1.00 0.00 C ATOM 399 CD2 PHE A 27 5.088 -8.636 0.821 1.00 0.00 C ATOM 400 CE1 PHE A 27 3.346 -7.252 2.455 1.00 0.00 C ATOM 401 CE2 PHE A 27 4.174 -7.758 0.271 1.00 0.00 C ATOM 402 CZ PHE A 27 3.302 -7.066 1.089 1.00 0.00 C ATOM 0 H PHE A 27 8.419 -8.252 3.453 1.00 0.00 H new ATOM 0 HA PHE A 27 5.903 -9.027 4.797 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.953 -9.949 2.093 1.00 0.00 H new ATOM 0 HB3 PHE A 27 5.658 -10.749 2.963 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.290 -8.270 4.072 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.766 -9.175 0.176 1.00 0.00 H new ATOM 0 HE1 PHE A 27 2.665 -6.712 3.096 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.141 -7.613 -0.799 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.587 -6.380 0.659 1.00 0.00 H new ATOM 452 N LEU A 31 2.915 -14.439 7.051 1.00 0.00 N ATOM 453 CA LEU A 31 2.561 -13.431 6.062 1.00 0.00 C ATOM 454 C LEU A 31 1.082 -13.076 6.141 1.00 0.00 C ATOM 455 O LEU A 31 0.234 -13.935 6.385 1.00 0.00 O ATOM 456 CB LEU A 31 2.904 -13.921 4.656 1.00 0.00 C ATOM 457 CG LEU A 31 4.374 -14.301 4.446 1.00 0.00 C ATOM 458 CD1 LEU A 31 4.484 -15.697 3.855 1.00 0.00 C ATOM 459 CD2 LEU A 31 5.074 -13.285 3.553 1.00 0.00 C ATOM 0 HA LEU A 31 3.140 -12.534 6.279 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.284 -14.788 4.428 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.639 -13.142 3.941 1.00 0.00 H new ATOM 0 HG LEU A 31 4.869 -14.297 5.417 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.535 -15.950 3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.026 -16.417 4.534 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.970 -15.727 2.894 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.116 -13.576 3.418 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.578 -13.251 2.583 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.029 -12.300 4.018 1.00 0.00 H new ATOM 471 N VAL A 32 0.787 -11.800 5.936 1.00 0.00 N ATOM 472 CA VAL A 32 -0.582 -11.304 5.982 1.00 0.00 C ATOM 473 C VAL A 32 -1.332 -11.627 4.689 1.00 0.00 C ATOM 474 O VAL A 32 -0.733 -11.681 3.616 1.00 0.00 O ATOM 475 CB VAL A 32 -0.592 -9.782 6.224 1.00 0.00 C ATOM 476 CG1 VAL A 32 0.081 -9.046 5.074 1.00 0.00 C ATOM 477 CG2 VAL A 32 -2.006 -9.280 6.428 1.00 0.00 C ATOM 0 H VAL A 32 1.484 -11.083 5.734 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.089 -11.804 6.807 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.025 -9.580 7.133 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.062 -7.973 5.267 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.115 -9.380 4.984 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.451 -9.257 4.146 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.989 -8.203 6.597 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.601 -9.499 5.541 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.447 -9.776 7.293 1.00 0.00 H new ATOM 487 N SER A 33 -2.636 -11.881 4.795 1.00 0.00 N ATOM 488 CA SER A 33 -3.441 -12.237 3.625 1.00 0.00 C ATOM 489 C SER A 33 -3.831 -11.010 2.804 1.00 0.00 C ATOM 490 O SER A 33 -3.589 -9.871 3.208 1.00 0.00 O ATOM 491 CB SER A 33 -4.701 -12.987 4.063 1.00 0.00 C ATOM 492 OG SER A 33 -5.440 -12.235 5.010 1.00 0.00 O ATOM 0 H SER A 33 -3.155 -11.848 5.672 1.00 0.00 H new ATOM 0 HA SER A 33 -2.830 -12.880 2.992 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.324 -13.195 3.194 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.424 -13.949 4.494 1.00 0.00 H new ATOM 0 HG SER A 33 -6.196 -11.799 4.564 1.00 0.00 H new ATOM 498 N GLU A 34 -4.416 -11.260 1.633 1.00 0.00 N ATOM 499 CA GLU A 34 -4.825 -10.195 0.719 1.00 0.00 C ATOM 500 C GLU A 34 -5.903 -9.301 1.318 1.00 0.00 C ATOM 501 O GLU A 34 -5.795 -8.077 1.274 1.00 0.00 O ATOM 502 CB GLU A 34 -5.326 -10.796 -0.595 1.00 0.00 C ATOM 503 CG GLU A 34 -4.857 -10.040 -1.827 1.00 0.00 C ATOM 504 CD GLU A 34 -5.281 -10.711 -3.119 1.00 0.00 C ATOM 505 OE1 GLU A 34 -6.489 -10.990 -3.275 1.00 0.00 O ATOM 506 OE2 GLU A 34 -4.406 -10.957 -3.975 1.00 0.00 O ATOM 0 H GLU A 34 -4.619 -12.200 1.293 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.948 -9.575 0.534 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.989 -11.830 -0.664 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.416 -10.816 -0.584 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.256 -9.026 -1.800 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.770 -9.956 -1.805 1.00 0.00 H new ATOM 513 N GLU A 35 -6.938 -9.910 1.880 1.00 0.00 N ATOM 514 CA GLU A 35 -8.027 -9.151 2.489 1.00 0.00 C ATOM 515 C GLU A 35 -7.489 -8.268 3.606 1.00 0.00 C ATOM 516 O GLU A 35 -7.959 -7.146 3.826 1.00 0.00 O ATOM 517 CB GLU A 35 -9.093 -10.098 3.040 1.00 0.00 C ATOM 518 CG GLU A 35 -10.346 -9.388 3.521 1.00 0.00 C ATOM 519 CD GLU A 35 -10.952 -10.044 4.746 1.00 0.00 C ATOM 520 OE1 GLU A 35 -11.738 -11.000 4.580 1.00 0.00 O ATOM 521 OE2 GLU A 35 -10.643 -9.600 5.873 1.00 0.00 O ATOM 0 H GLU A 35 -7.049 -10.923 1.928 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.480 -8.520 1.725 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.366 -10.815 2.265 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.669 -10.668 3.866 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.106 -8.350 3.750 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.083 -9.375 2.718 1.00 0.00 H new ATOM 528 N ASP A 36 -6.463 -8.773 4.276 1.00 0.00 N ATOM 529 CA ASP A 36 -5.818 -8.031 5.341 1.00 0.00 C ATOM 530 C ASP A 36 -4.991 -6.906 4.733 1.00 0.00 C ATOM 531 O ASP A 36 -4.881 -5.820 5.302 1.00 0.00 O ATOM 532 CB ASP A 36 -4.945 -8.954 6.187 1.00 0.00 C ATOM 533 CG ASP A 36 -5.765 -9.837 7.106 1.00 0.00 C ATOM 534 OD1 ASP A 36 -6.568 -10.644 6.592 1.00 0.00 O ATOM 535 OD2 ASP A 36 -5.606 -9.722 8.339 1.00 0.00 O ATOM 0 H ASP A 36 -6.062 -9.694 4.098 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.576 -7.603 5.997 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.339 -9.579 5.531 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.256 -8.354 6.782 1.00 0.00 H new ATOM 540 N MET A 37 -4.442 -7.169 3.549 1.00 0.00 N ATOM 541 CA MET A 37 -3.657 -6.175 2.833 1.00 0.00 C ATOM 542 C MET A 37 -4.565 -5.037 2.387 1.00 0.00 C ATOM 543 O MET A 37 -4.249 -3.862 2.579 1.00 0.00 O ATOM 544 CB MET A 37 -2.971 -6.810 1.618 1.00 0.00 C ATOM 545 CG MET A 37 -1.667 -6.134 1.225 1.00 0.00 C ATOM 546 SD MET A 37 -1.844 -4.358 0.989 1.00 0.00 S ATOM 547 CE MET A 37 -1.097 -3.750 2.495 1.00 0.00 C ATOM 0 H MET A 37 -4.528 -8.064 3.068 1.00 0.00 H new ATOM 0 HA MET A 37 -2.887 -5.783 3.497 1.00 0.00 H new ATOM 0 HB2 MET A 37 -2.774 -7.861 1.832 1.00 0.00 H new ATOM 0 HB3 MET A 37 -3.655 -6.780 0.770 1.00 0.00 H new ATOM 0 HG2 MET A 37 -0.920 -6.321 1.996 1.00 0.00 H new ATOM 0 HG3 MET A 37 -1.294 -6.583 0.304 1.00 0.00 H new ATOM 0 HE1 MET A 37 -1.444 -2.735 2.689 1.00 0.00 H new ATOM 0 HE2 MET A 37 -1.379 -4.395 3.327 1.00 0.00 H new ATOM 0 HE3 MET A 37 -0.012 -3.748 2.388 1.00 0.00 H new ATOM 557 N VAL A 38 -5.705 -5.398 1.800 1.00 0.00 N ATOM 558 CA VAL A 38 -6.674 -4.414 1.338 1.00 0.00 C ATOM 559 C VAL A 38 -7.079 -3.495 2.481 1.00 0.00 C ATOM 560 O VAL A 38 -7.097 -2.273 2.332 1.00 0.00 O ATOM 561 CB VAL A 38 -7.932 -5.088 0.756 1.00 0.00 C ATOM 562 CG1 VAL A 38 -8.872 -4.051 0.162 1.00 0.00 C ATOM 563 CG2 VAL A 38 -7.546 -6.128 -0.286 1.00 0.00 C ATOM 0 H VAL A 38 -5.978 -6.367 1.634 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.198 -3.832 0.549 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.456 -5.594 1.566 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.753 -4.548 -0.243 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.176 -3.349 0.938 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.361 -3.511 -0.635 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.447 -6.594 -0.686 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.997 -5.646 -1.095 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.918 -6.890 0.176 1.00 0.00 H new ATOM 573 N THR A 39 -7.379 -4.089 3.633 1.00 0.00 N ATOM 574 CA THR A 39 -7.754 -3.301 4.803 1.00 0.00 C ATOM 575 C THR A 39 -6.629 -2.330 5.146 1.00 0.00 C ATOM 576 O THR A 39 -6.868 -1.153 5.413 1.00 0.00 O ATOM 577 CB THR A 39 -8.060 -4.200 6.004 1.00 0.00 C ATOM 578 OG1 THR A 39 -7.823 -5.558 5.691 1.00 0.00 O ATOM 579 CG2 THR A 39 -9.487 -4.079 6.490 1.00 0.00 C ATOM 0 H THR A 39 -7.370 -5.098 3.781 1.00 0.00 H new ATOM 0 HA THR A 39 -8.659 -2.742 4.566 1.00 0.00 H new ATOM 0 HB THR A 39 -7.393 -3.860 6.796 1.00 0.00 H new ATOM 0 HG1 THR A 39 -8.452 -5.849 4.998 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.639 -4.741 7.342 1.00 0.00 H new ATOM 0 HG22 THR A 39 -9.683 -3.050 6.791 1.00 0.00 H new ATOM 0 HG23 THR A 39 -10.170 -4.358 5.687 1.00 0.00 H new ATOM 587 N VAL A 40 -5.397 -2.835 5.119 1.00 0.00 N ATOM 588 CA VAL A 40 -4.230 -2.011 5.410 1.00 0.00 C ATOM 589 C VAL A 40 -4.161 -0.824 4.454 1.00 0.00 C ATOM 590 O VAL A 40 -3.980 0.316 4.879 1.00 0.00 O ATOM 591 CB VAL A 40 -2.922 -2.822 5.307 1.00 0.00 C ATOM 592 CG1 VAL A 40 -1.726 -1.966 5.702 1.00 0.00 C ATOM 593 CG2 VAL A 40 -2.997 -4.071 6.174 1.00 0.00 C ATOM 0 H VAL A 40 -5.183 -3.808 4.899 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.336 -1.652 6.434 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.792 -3.132 4.270 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.814 -2.557 5.622 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.660 -1.105 5.037 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.848 -1.623 6.729 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.065 -4.630 6.088 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.153 -3.783 7.214 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.826 -4.695 5.842 1.00 0.00 H new ATOM 603 N VAL A 41 -4.318 -1.098 3.159 1.00 0.00 N ATOM 604 CA VAL A 41 -4.284 -0.046 2.151 1.00 0.00 C ATOM 605 C VAL A 41 -5.381 0.979 2.407 1.00 0.00 C ATOM 606 O VAL A 41 -5.129 2.184 2.415 1.00 0.00 O ATOM 607 CB VAL A 41 -4.454 -0.616 0.730 1.00 0.00 C ATOM 608 CG1 VAL A 41 -4.314 0.482 -0.314 1.00 0.00 C ATOM 609 CG2 VAL A 41 -3.450 -1.728 0.480 1.00 0.00 C ATOM 0 H VAL A 41 -4.469 -2.036 2.787 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.307 0.433 2.223 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.457 -1.034 0.647 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.438 0.056 -1.309 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.077 1.242 -0.147 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.326 0.936 -0.234 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.584 -2.119 -0.528 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.439 -1.336 0.585 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.606 -2.528 1.203 1.00 0.00 H new ATOM 619 N GLU A 42 -6.600 0.492 2.624 1.00 0.00 N ATOM 620 CA GLU A 42 -7.733 1.370 2.886 1.00 0.00 C ATOM 621 C GLU A 42 -7.429 2.290 4.064 1.00 0.00 C ATOM 622 O GLU A 42 -7.691 3.492 4.012 1.00 0.00 O ATOM 623 CB GLU A 42 -8.993 0.546 3.168 1.00 0.00 C ATOM 624 CG GLU A 42 -10.041 0.646 2.070 1.00 0.00 C ATOM 625 CD GLU A 42 -10.748 -0.672 1.817 1.00 0.00 C ATOM 626 OE1 GLU A 42 -10.180 -1.522 1.101 1.00 0.00 O ATOM 627 OE2 GLU A 42 -11.872 -0.851 2.331 1.00 0.00 O ATOM 0 H GLU A 42 -6.826 -0.503 2.623 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.909 1.982 2.001 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.713 -0.499 3.298 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.431 0.878 4.109 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.777 1.402 2.343 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -9.566 0.982 1.148 1.00 0.00 H new ATOM 634 N ASP A 43 -6.873 1.713 5.125 1.00 0.00 N ATOM 635 CA ASP A 43 -6.530 2.476 6.318 1.00 0.00 C ATOM 636 C ASP A 43 -5.412 3.475 6.027 1.00 0.00 C ATOM 637 O ASP A 43 -5.477 4.625 6.452 1.00 0.00 O ATOM 638 CB ASP A 43 -6.106 1.532 7.445 1.00 0.00 C ATOM 639 CG ASP A 43 -6.656 1.955 8.792 1.00 0.00 C ATOM 640 OD1 ASP A 43 -7.848 1.692 9.057 1.00 0.00 O ATOM 641 OD2 ASP A 43 -5.894 2.552 9.583 1.00 0.00 O ATOM 0 H ASP A 43 -6.651 0.719 5.182 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.414 3.032 6.630 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.448 0.522 7.217 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -5.018 1.496 7.495 1.00 0.00 H new ATOM 646 N TRP A 44 -4.394 3.026 5.295 1.00 0.00 N ATOM 647 CA TRP A 44 -3.257 3.879 4.941 1.00 0.00 C ATOM 648 C TRP A 44 -3.701 5.063 4.088 1.00 0.00 C ATOM 649 O TRP A 44 -3.250 6.190 4.291 1.00 0.00 O ATOM 650 CB TRP A 44 -2.212 3.066 4.171 1.00 0.00 C ATOM 651 CG TRP A 44 -1.224 2.354 5.047 1.00 0.00 C ATOM 652 CD1 TRP A 44 -0.941 2.622 6.356 1.00 0.00 C ATOM 653 CD2 TRP A 44 -0.383 1.256 4.669 1.00 0.00 C ATOM 654 NE1 TRP A 44 0.024 1.756 6.815 1.00 0.00 N ATOM 655 CE2 TRP A 44 0.382 0.909 5.799 1.00 0.00 C ATOM 656 CE3 TRP A 44 -0.205 0.531 3.487 1.00 0.00 C ATOM 657 CZ2 TRP A 44 1.311 -0.130 5.779 1.00 0.00 C ATOM 658 CZ3 TRP A 44 0.718 -0.499 3.468 1.00 0.00 C ATOM 659 CH2 TRP A 44 1.465 -0.822 4.608 1.00 0.00 C ATOM 0 H TRP A 44 -4.332 2.074 4.934 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.823 4.259 5.866 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.724 2.332 3.548 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -1.671 3.733 3.499 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.406 3.399 6.944 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.411 1.746 7.759 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -0.778 0.771 2.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.889 -0.380 6.656 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.865 -1.064 2.559 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.177 -1.633 4.562 1.00 0.00 H new ATOM 670 N MET A 45 -4.571 4.796 3.119 1.00 0.00 N ATOM 671 CA MET A 45 -5.056 5.837 2.220 1.00 0.00 C ATOM 672 C MET A 45 -5.932 6.852 2.941 1.00 0.00 C ATOM 673 O MET A 45 -5.792 8.056 2.728 1.00 0.00 O ATOM 674 CB MET A 45 -5.830 5.218 1.056 1.00 0.00 C ATOM 675 CG MET A 45 -4.984 4.323 0.164 1.00 0.00 C ATOM 676 SD MET A 45 -5.497 4.379 -1.563 1.00 0.00 S ATOM 677 CE MET A 45 -6.752 3.101 -1.588 1.00 0.00 C ATOM 0 H MET A 45 -4.954 3.869 2.936 1.00 0.00 H new ATOM 0 HA MET A 45 -4.182 6.364 1.837 1.00 0.00 H new ATOM 0 HB2 MET A 45 -6.662 4.637 1.453 1.00 0.00 H new ATOM 0 HB3 MET A 45 -6.259 6.017 0.451 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.939 4.625 0.239 1.00 0.00 H new ATOM 0 HG3 MET A 45 -5.045 3.296 0.524 1.00 0.00 H new ATOM 0 HE1 MET A 45 -6.368 2.225 -2.110 1.00 0.00 H new ATOM 0 HE2 MET A 45 -7.014 2.828 -0.566 1.00 0.00 H new ATOM 0 HE3 MET A 45 -7.638 3.471 -2.103 1.00 0.00 H new ATOM 687 N ASN A 46 -6.830 6.376 3.793 1.00 0.00 N ATOM 688 CA ASN A 46 -7.708 7.274 4.529 1.00 0.00 C ATOM 689 C ASN A 46 -6.927 8.004 5.610 1.00 0.00 C ATOM 690 O ASN A 46 -7.188 9.171 5.897 1.00 0.00 O ATOM 691 CB ASN A 46 -8.874 6.501 5.146 1.00 0.00 C ATOM 692 CG ASN A 46 -10.180 7.267 5.067 1.00 0.00 C ATOM 693 OD1 ASN A 46 -10.394 8.055 4.146 1.00 0.00 O ATOM 694 ND2 ASN A 46 -11.059 7.040 6.035 1.00 0.00 N ATOM 0 H ASN A 46 -6.969 5.385 3.990 1.00 0.00 H new ATOM 0 HA ASN A 46 -8.113 8.008 3.833 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -8.985 5.545 4.634 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.648 6.279 6.189 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -11.955 7.528 6.035 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.839 6.378 6.779 1.00 0.00 H new ATOM 701 N PHE A 47 -5.956 7.313 6.194 1.00 0.00 N ATOM 702 CA PHE A 47 -5.128 7.907 7.228 1.00 0.00 C ATOM 703 C PHE A 47 -4.288 9.032 6.641 1.00 0.00 C ATOM 704 O PHE A 47 -4.141 10.088 7.248 1.00 0.00 O ATOM 705 CB PHE A 47 -4.216 6.847 7.870 1.00 0.00 C ATOM 706 CG PHE A 47 -2.775 7.267 7.984 1.00 0.00 C ATOM 707 CD1 PHE A 47 -2.387 8.207 8.925 1.00 0.00 C ATOM 708 CD2 PHE A 47 -1.814 6.731 7.140 1.00 0.00 C ATOM 709 CE1 PHE A 47 -1.067 8.606 9.022 1.00 0.00 C ATOM 710 CE2 PHE A 47 -0.494 7.125 7.235 1.00 0.00 C ATOM 711 CZ PHE A 47 -0.120 8.063 8.176 1.00 0.00 C ATOM 0 H PHE A 47 -5.726 6.345 5.968 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.780 8.314 8.001 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.595 6.611 8.864 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.271 5.931 7.282 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.124 8.633 9.590 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.101 5.998 6.401 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.777 9.341 9.758 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.246 6.699 6.573 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.912 8.372 8.251 1.00 0.00 H new ATOM 721 N TYR A 48 -3.726 8.789 5.460 1.00 0.00 N ATOM 722 CA TYR A 48 -2.882 9.779 4.806 1.00 0.00 C ATOM 723 C TYR A 48 -3.676 11.000 4.370 1.00 0.00 C ATOM 724 O TYR A 48 -3.265 12.132 4.622 1.00 0.00 O ATOM 725 CB TYR A 48 -2.173 9.161 3.598 1.00 0.00 C ATOM 726 CG TYR A 48 -0.816 8.573 3.916 1.00 0.00 C ATOM 727 CD1 TYR A 48 0.097 9.266 4.698 1.00 0.00 C ATOM 728 CD2 TYR A 48 -0.448 7.324 3.429 1.00 0.00 C ATOM 729 CE1 TYR A 48 1.340 8.733 4.988 1.00 0.00 C ATOM 730 CE2 TYR A 48 0.791 6.784 3.714 1.00 0.00 C ATOM 731 CZ TYR A 48 1.681 7.492 4.493 1.00 0.00 C ATOM 732 OH TYR A 48 2.916 6.958 4.779 1.00 0.00 O ATOM 0 H TYR A 48 -3.840 7.919 4.940 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.140 10.105 5.534 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.807 8.380 3.178 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -2.056 9.924 2.829 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.167 10.238 5.087 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -1.142 6.767 2.818 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.039 9.285 5.598 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.061 5.812 3.328 1.00 0.00 H new ATOM 0 HH TYR A 48 2.998 6.078 4.356 1.00 0.00 H new ATOM 742 N ILE A 49 -4.805 10.782 3.706 1.00 0.00 N ATOM 743 CA ILE A 49 -5.617 11.895 3.244 1.00 0.00 C ATOM 744 C ILE A 49 -6.062 12.756 4.425 1.00 0.00 C ATOM 745 O ILE A 49 -5.798 13.958 4.461 1.00 0.00 O ATOM 746 CB ILE A 49 -6.838 11.391 2.417 1.00 0.00 C ATOM 747 CG1 ILE A 49 -6.744 11.871 0.963 1.00 0.00 C ATOM 748 CG2 ILE A 49 -8.167 11.829 3.027 1.00 0.00 C ATOM 749 CD1 ILE A 49 -5.365 11.731 0.353 1.00 0.00 C ATOM 0 H ILE A 49 -5.173 9.858 3.479 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.009 12.514 2.584 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.807 10.302 2.438 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.455 11.308 0.359 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.045 12.918 0.917 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.989 11.455 2.416 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -8.253 11.428 4.037 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -8.209 12.918 3.064 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.384 12.092 -0.675 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -4.650 12.317 0.931 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.067 10.683 0.364 1.00 0.00 H new ATOM 761 N ASN A 50 -6.711 12.130 5.401 1.00 0.00 N ATOM 762 CA ASN A 50 -7.176 12.835 6.589 1.00 0.00 C ATOM 763 C ASN A 50 -6.009 13.465 7.339 1.00 0.00 C ATOM 764 O ASN A 50 -6.106 14.588 7.833 1.00 0.00 O ATOM 765 CB ASN A 50 -7.930 11.875 7.511 1.00 0.00 C ATOM 766 CG ASN A 50 -9.126 12.527 8.177 1.00 0.00 C ATOM 767 OD1 ASN A 50 -9.754 13.422 7.612 1.00 0.00 O ATOM 768 ND2 ASN A 50 -9.447 12.080 9.386 1.00 0.00 N ATOM 0 H ASN A 50 -6.927 11.133 5.392 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.850 13.630 6.270 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.265 11.012 6.936 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.250 11.503 8.277 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.242 12.481 9.883 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.898 11.336 9.817 1.00 0.00 H new ATOM 775 N TYR A 51 -4.911 12.724 7.432 1.00 0.00 N ATOM 776 CA TYR A 51 -3.724 13.193 8.133 1.00 0.00 C ATOM 777 C TYR A 51 -3.142 14.440 7.483 1.00 0.00 C ATOM 778 O TYR A 51 -2.863 15.431 8.157 1.00 0.00 O ATOM 779 CB TYR A 51 -2.680 12.075 8.155 1.00 0.00 C ATOM 780 CG TYR A 51 -1.344 12.464 8.742 1.00 0.00 C ATOM 781 CD1 TYR A 51 -1.246 13.383 9.779 1.00 0.00 C ATOM 782 CD2 TYR A 51 -0.176 11.897 8.256 1.00 0.00 C ATOM 783 CE1 TYR A 51 -0.019 13.722 10.316 1.00 0.00 C ATOM 784 CE2 TYR A 51 1.053 12.231 8.783 1.00 0.00 C ATOM 785 CZ TYR A 51 1.129 13.143 9.814 1.00 0.00 C ATOM 786 OH TYR A 51 2.353 13.477 10.344 1.00 0.00 O ATOM 0 H TYR A 51 -4.819 11.792 7.028 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.008 13.459 9.151 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.080 11.236 8.724 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.524 11.723 7.135 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.143 13.839 10.171 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.230 11.180 7.450 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.042 14.436 11.124 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.952 11.780 8.390 1.00 0.00 H new ATOM 0 HH TYR A 51 3.058 12.980 9.879 1.00 0.00 H new ATOM 796 N TYR A 52 -2.933 14.374 6.178 1.00 0.00 N ATOM 797 CA TYR A 52 -2.349 15.484 5.437 1.00 0.00 C ATOM 798 C TYR A 52 -3.232 16.728 5.428 1.00 0.00 C ATOM 799 O TYR A 52 -2.715 17.845 5.388 1.00 0.00 O ATOM 800 CB TYR A 52 -2.020 15.043 4.016 1.00 0.00 C ATOM 801 CG TYR A 52 -0.800 14.160 3.953 1.00 0.00 C ATOM 802 CD1 TYR A 52 0.368 14.524 4.609 1.00 0.00 C ATOM 803 CD2 TYR A 52 -0.817 12.961 3.257 1.00 0.00 C ATOM 804 CE1 TYR A 52 1.487 13.720 4.570 1.00 0.00 C ATOM 805 CE2 TYR A 52 0.299 12.148 3.216 1.00 0.00 C ATOM 806 CZ TYR A 52 1.449 12.533 3.874 1.00 0.00 C ATOM 807 OH TYR A 52 2.561 11.726 3.840 1.00 0.00 O ATOM 0 H TYR A 52 -3.160 13.560 5.606 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.432 15.767 5.953 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.873 14.509 3.598 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.860 15.923 3.394 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.401 15.453 5.159 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.715 12.658 2.740 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.389 14.020 5.083 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.272 11.216 2.672 1.00 0.00 H new ATOM 0 HH TYR A 52 2.320 10.824 4.139 1.00 0.00 H new ATOM 817 N ARG A 53 -4.552 16.561 5.478 1.00 0.00 N ATOM 818 CA ARG A 53 -5.436 17.728 5.486 1.00 0.00 C ATOM 819 C ARG A 53 -5.127 18.624 6.686 1.00 0.00 C ATOM 820 O ARG A 53 -5.474 19.805 6.691 1.00 0.00 O ATOM 821 CB ARG A 53 -6.916 17.328 5.527 1.00 0.00 C ATOM 822 CG ARG A 53 -7.254 16.075 4.740 1.00 0.00 C ATOM 823 CD ARG A 53 -8.634 16.164 4.104 1.00 0.00 C ATOM 824 NE ARG A 53 -9.350 14.893 4.172 1.00 0.00 N ATOM 825 CZ ARG A 53 -10.461 14.629 3.489 1.00 0.00 C ATOM 826 NH1 ARG A 53 -10.989 15.545 2.686 1.00 0.00 N ATOM 827 NH2 ARG A 53 -11.047 13.444 3.606 1.00 0.00 N ATOM 0 H ARG A 53 -5.024 15.658 5.513 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.253 18.271 4.559 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -7.210 17.179 6.566 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.513 18.155 5.142 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.505 15.920 3.964 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.213 15.209 5.400 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -9.216 16.936 4.608 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.534 16.469 3.062 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.976 14.164 4.779 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.543 16.457 2.590 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.841 15.337 2.165 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.646 12.735 4.220 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.899 13.242 3.082 1.00 0.00 H new ATOM 841 N GLN A 54 -4.499 18.050 7.712 1.00 0.00 N ATOM 842 CA GLN A 54 -4.176 18.796 8.924 1.00 0.00 C ATOM 843 C GLN A 54 -2.712 19.242 8.968 1.00 0.00 C ATOM 844 O GLN A 54 -2.366 20.145 9.729 1.00 0.00 O ATOM 845 CB GLN A 54 -4.494 17.945 10.156 1.00 0.00 C ATOM 846 CG GLN A 54 -5.930 18.086 10.635 1.00 0.00 C ATOM 847 CD GLN A 54 -6.512 16.776 11.130 1.00 0.00 C ATOM 848 OE1 GLN A 54 -6.636 16.555 12.335 1.00 0.00 O ATOM 849 NE2 GLN A 54 -6.872 15.899 10.201 1.00 0.00 N ATOM 0 H GLN A 54 -4.205 17.073 7.727 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.789 19.698 8.920 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -4.297 16.898 9.925 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.820 18.225 10.965 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.971 18.823 11.437 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.545 18.467 9.820 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -6.751 16.124 9.213 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -7.269 15.000 10.475 1.00 0.00 H new ATOM 858 N GLN A 55 -1.852 18.616 8.168 1.00 0.00 N ATOM 859 CA GLN A 55 -0.435 18.982 8.157 1.00 0.00 C ATOM 860 C GLN A 55 -0.141 20.012 7.070 1.00 0.00 C ATOM 861 O GLN A 55 0.816 19.863 6.309 1.00 0.00 O ATOM 862 CB GLN A 55 0.450 17.752 7.931 1.00 0.00 C ATOM 863 CG GLN A 55 -0.040 16.486 8.604 1.00 0.00 C ATOM 864 CD GLN A 55 0.385 15.243 7.847 1.00 0.00 C ATOM 865 OE1 GLN A 55 -0.448 14.504 7.326 1.00 0.00 O ATOM 866 NE2 GLN A 55 1.689 15.007 7.780 1.00 0.00 N ATOM 0 H GLN A 55 -2.105 17.864 7.527 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.209 19.414 9.132 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.529 17.570 6.859 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.455 17.973 8.291 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.348 16.442 9.622 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.127 16.512 8.679 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.347 15.646 8.227 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.034 14.186 7.282 1.00 0.00 H new ATOM 875 N VAL A 56 -0.961 21.051 6.990 1.00 0.00 N ATOM 876 CA VAL A 56 -0.763 22.082 5.977 1.00 0.00 C ATOM 877 C VAL A 56 -0.751 23.485 6.574 1.00 0.00 C ATOM 878 O VAL A 56 -1.154 23.697 7.717 1.00 0.00 O ATOM 879 CB VAL A 56 -1.842 22.034 4.873 1.00 0.00 C ATOM 880 CG1 VAL A 56 -1.206 22.171 3.498 1.00 0.00 C ATOM 881 CG2 VAL A 56 -2.670 20.760 4.955 1.00 0.00 C ATOM 0 H VAL A 56 -1.760 21.203 7.605 1.00 0.00 H new ATOM 0 HA VAL A 56 0.212 21.867 5.539 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.515 22.876 5.032 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.982 22.135 2.733 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.678 23.122 3.435 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.502 21.354 3.340 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.419 20.761 4.163 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.018 19.894 4.837 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.167 20.711 5.924 1.00 0.00 H new ATOM 891 N THR A 57 -0.288 24.438 5.771 1.00 0.00 N ATOM 892 CA THR A 57 -0.210 25.840 6.162 1.00 0.00 C ATOM 893 C THR A 57 -0.502 26.709 4.943 1.00 0.00 C ATOM 894 O THR A 57 -0.589 26.195 3.826 1.00 0.00 O ATOM 895 CB THR A 57 1.174 26.172 6.728 1.00 0.00 C ATOM 896 OG1 THR A 57 1.433 27.563 6.644 1.00 0.00 O ATOM 897 CG2 THR A 57 2.304 25.449 6.022 1.00 0.00 C ATOM 0 H THR A 57 0.046 24.257 4.824 1.00 0.00 H new ATOM 0 HA THR A 57 -0.946 26.036 6.942 1.00 0.00 H new ATOM 0 HB THR A 57 1.146 25.838 7.765 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.321 27.753 7.012 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.255 25.731 6.474 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.162 24.372 6.116 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.308 25.723 4.967 1.00 0.00 H new ATOM 905 N GLY A 58 -0.643 28.016 5.135 1.00 0.00 N ATOM 906 CA GLY A 58 -0.910 28.896 4.009 1.00 0.00 C ATOM 907 C GLY A 58 -2.380 28.960 3.642 1.00 0.00 C ATOM 908 O GLY A 58 -3.232 28.450 4.369 1.00 0.00 O ATOM 0 H GLY A 58 -0.578 28.480 6.041 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.557 29.899 4.247 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.340 28.554 3.145 1.00 0.00 H new ATOM 912 N GLU A 59 -2.676 29.593 2.509 1.00 0.00 N ATOM 913 CA GLU A 59 -4.050 29.729 2.040 1.00 0.00 C ATOM 914 C GLU A 59 -4.705 28.362 1.856 1.00 0.00 C ATOM 915 O GLU A 59 -4.045 27.396 1.471 1.00 0.00 O ATOM 916 CB GLU A 59 -4.086 30.508 0.725 1.00 0.00 C ATOM 917 CG GLU A 59 -3.136 29.966 -0.332 1.00 0.00 C ATOM 918 CD GLU A 59 -1.902 30.829 -0.506 1.00 0.00 C ATOM 919 OE1 GLU A 59 -2.040 31.970 -0.995 1.00 0.00 O ATOM 920 OE2 GLU A 59 -0.798 30.366 -0.153 1.00 0.00 O ATOM 0 H GLU A 59 -1.980 30.020 1.898 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.612 30.278 2.796 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.102 30.491 0.331 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.838 31.551 0.924 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.832 28.956 -0.058 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.661 29.894 -1.284 1.00 0.00 H new ATOM 927 N PRO A 60 -6.019 28.262 2.128 1.00 0.00 N ATOM 928 CA PRO A 60 -6.768 27.007 1.995 1.00 0.00 C ATOM 929 C PRO A 60 -6.645 26.390 0.606 1.00 0.00 C ATOM 930 O PRO A 60 -6.888 25.197 0.426 1.00 0.00 O ATOM 931 CB PRO A 60 -8.222 27.409 2.281 1.00 0.00 C ATOM 932 CG PRO A 60 -8.249 28.897 2.184 1.00 0.00 C ATOM 933 CD PRO A 60 -6.881 29.361 2.587 1.00 0.00 C ATOM 0 HA PRO A 60 -6.387 26.244 2.674 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -8.904 26.956 1.561 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -8.535 27.074 3.270 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.487 29.218 1.170 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.012 29.317 2.839 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.618 30.307 2.113 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.806 29.512 3.664 1.00 0.00 H new ATOM 941 N GLN A 61 -6.268 27.200 -0.376 1.00 0.00 N ATOM 942 CA GLN A 61 -6.117 26.715 -1.742 1.00 0.00 C ATOM 943 C GLN A 61 -4.921 25.778 -1.859 1.00 0.00 C ATOM 944 O GLN A 61 -4.983 24.759 -2.549 1.00 0.00 O ATOM 945 CB GLN A 61 -5.961 27.892 -2.709 1.00 0.00 C ATOM 946 CG GLN A 61 -7.256 28.283 -3.405 1.00 0.00 C ATOM 947 CD GLN A 61 -7.749 29.657 -2.991 1.00 0.00 C ATOM 948 OE1 GLN A 61 -6.975 30.613 -2.924 1.00 0.00 O ATOM 949 NE2 GLN A 61 -9.043 29.762 -2.713 1.00 0.00 N ATOM 0 H GLN A 61 -6.062 28.191 -0.253 1.00 0.00 H new ATOM 0 HA GLN A 61 -7.016 26.157 -2.005 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -5.578 28.753 -2.161 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -5.216 27.636 -3.462 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.104 28.266 -4.484 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -8.023 27.542 -3.179 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -9.647 28.943 -2.782 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -9.433 30.661 -2.431 1.00 0.00 H new ATOM 958 N GLU A 62 -3.830 26.132 -1.189 1.00 0.00 N ATOM 959 CA GLU A 62 -2.619 25.320 -1.229 1.00 0.00 C ATOM 960 C GLU A 62 -2.826 23.979 -0.536 1.00 0.00 C ATOM 961 O GLU A 62 -2.470 22.933 -1.081 1.00 0.00 O ATOM 962 CB GLU A 62 -1.460 26.060 -0.569 1.00 0.00 C ATOM 963 CG GLU A 62 -0.886 27.183 -1.418 1.00 0.00 C ATOM 964 CD GLU A 62 0.373 26.771 -2.153 1.00 0.00 C ATOM 965 OE1 GLU A 62 1.438 26.686 -1.506 1.00 0.00 O ATOM 966 OE2 GLU A 62 0.295 26.532 -3.376 1.00 0.00 O ATOM 0 H GLU A 62 -3.759 26.972 -0.614 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.383 25.135 -2.277 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.799 26.472 0.381 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.667 25.347 -0.343 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.635 27.507 -2.141 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.667 28.040 -0.781 1.00 0.00 H new ATOM 973 N ARG A 63 -3.415 24.002 0.660 1.00 0.00 N ATOM 974 CA ARG A 63 -3.661 22.763 1.385 1.00 0.00 C ATOM 975 C ARG A 63 -4.562 21.867 0.559 1.00 0.00 C ATOM 976 O ARG A 63 -4.272 20.691 0.351 1.00 0.00 O ATOM 977 CB ARG A 63 -4.297 23.017 2.763 1.00 0.00 C ATOM 978 CG ARG A 63 -5.063 24.325 2.885 1.00 0.00 C ATOM 979 CD ARG A 63 -4.204 25.418 3.506 1.00 0.00 C ATOM 980 NE ARG A 63 -4.041 25.241 4.950 1.00 0.00 N ATOM 981 CZ ARG A 63 -4.779 25.863 5.870 1.00 0.00 C ATOM 982 NH1 ARG A 63 -5.739 26.708 5.511 1.00 0.00 N ATOM 983 NH2 ARG A 63 -4.554 25.640 7.158 1.00 0.00 N ATOM 0 H ARG A 63 -3.724 24.849 1.137 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.700 22.277 1.554 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.974 22.194 2.991 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.511 23.002 3.518 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.402 24.643 1.899 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.954 24.171 3.494 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.224 25.422 3.029 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.658 26.390 3.310 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.316 24.600 5.273 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.918 26.887 4.523 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.297 27.178 6.224 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.818 24.994 7.443 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.117 26.115 7.864 1.00 0.00 H new ATOM 997 N ASP A 64 -5.669 22.431 0.100 1.00 0.00 N ATOM 998 CA ASP A 64 -6.627 21.676 -0.687 1.00 0.00 C ATOM 999 C ASP A 64 -5.954 21.026 -1.890 1.00 0.00 C ATOM 1000 O ASP A 64 -6.243 19.872 -2.208 1.00 0.00 O ATOM 1001 CB ASP A 64 -7.772 22.582 -1.148 1.00 0.00 C ATOM 1002 CG ASP A 64 -9.053 21.812 -1.400 1.00 0.00 C ATOM 1003 OD1 ASP A 64 -9.717 21.426 -0.415 1.00 0.00 O ATOM 1004 OD2 ASP A 64 -9.393 21.595 -2.582 1.00 0.00 O ATOM 0 H ASP A 64 -5.924 23.406 0.259 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.034 20.887 -0.055 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.954 23.346 -0.392 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.477 23.100 -2.061 1.00 0.00 H new ATOM 1009 N LYS A 65 -5.049 21.743 -2.561 1.00 0.00 N ATOM 1010 CA LYS A 65 -4.360 21.172 -3.713 1.00 0.00 C ATOM 1011 C LYS A 65 -3.575 19.936 -3.294 1.00 0.00 C ATOM 1012 O LYS A 65 -3.674 18.880 -3.915 1.00 0.00 O ATOM 1013 CB LYS A 65 -3.423 22.208 -4.337 1.00 0.00 C ATOM 1014 CG LYS A 65 -2.624 21.682 -5.519 1.00 0.00 C ATOM 1015 CD LYS A 65 -1.373 22.512 -5.759 1.00 0.00 C ATOM 1016 CE LYS A 65 -0.169 21.637 -6.073 1.00 0.00 C ATOM 1017 NZ LYS A 65 0.251 21.759 -7.496 1.00 0.00 N ATOM 0 H LYS A 65 -4.782 22.700 -2.330 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.102 20.881 -4.457 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.011 23.067 -4.661 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.732 22.565 -3.574 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.344 20.644 -5.338 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.246 21.693 -6.414 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.547 23.202 -6.585 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.163 23.117 -4.877 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.661 21.916 -5.424 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.409 20.597 -5.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.074 21.147 -7.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.532 21.468 -8.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.505 22.747 -7.699 1.00 0.00 H new ATOM 1031 N ALA A 66 -2.794 20.081 -2.233 1.00 0.00 N ATOM 1032 CA ALA A 66 -1.989 18.978 -1.723 1.00 0.00 C ATOM 1033 C ALA A 66 -2.869 17.778 -1.381 1.00 0.00 C ATOM 1034 O ALA A 66 -2.498 16.631 -1.627 1.00 0.00 O ATOM 1035 CB ALA A 66 -1.196 19.422 -0.503 1.00 0.00 C ATOM 0 H ALA A 66 -2.700 20.951 -1.708 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.289 18.675 -2.502 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.600 18.588 -0.133 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.537 20.246 -0.777 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -1.882 19.751 0.277 1.00 0.00 H new ATOM 1041 N LEU A 67 -4.036 18.052 -0.808 1.00 0.00 N ATOM 1042 CA LEU A 67 -4.971 16.999 -0.430 1.00 0.00 C ATOM 1043 C LEU A 67 -5.565 16.323 -1.662 1.00 0.00 C ATOM 1044 O LEU A 67 -5.763 15.105 -1.678 1.00 0.00 O ATOM 1045 CB LEU A 67 -6.090 17.583 0.436 1.00 0.00 C ATOM 1046 CG LEU A 67 -5.760 17.733 1.925 1.00 0.00 C ATOM 1047 CD1 LEU A 67 -4.330 18.215 2.123 1.00 0.00 C ATOM 1048 CD2 LEU A 67 -6.742 18.692 2.586 1.00 0.00 C ATOM 0 H LEU A 67 -4.357 18.996 -0.595 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.426 16.247 0.140 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.358 18.563 0.040 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.970 16.948 0.339 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.852 16.754 2.395 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.123 18.313 3.189 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.639 17.495 1.684 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.202 19.183 1.638 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.498 18.791 3.644 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.676 19.668 2.106 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.755 18.304 2.482 1.00 0.00 H new ATOM 1060 N GLN A 68 -5.840 17.112 -2.696 1.00 0.00 N ATOM 1061 CA GLN A 68 -6.405 16.578 -3.928 1.00 0.00 C ATOM 1062 C GLN A 68 -5.362 15.752 -4.673 1.00 0.00 C ATOM 1063 O GLN A 68 -5.640 14.639 -5.124 1.00 0.00 O ATOM 1064 CB GLN A 68 -6.942 17.716 -4.812 1.00 0.00 C ATOM 1065 CG GLN A 68 -6.012 18.128 -5.946 1.00 0.00 C ATOM 1066 CD GLN A 68 -6.579 19.258 -6.783 1.00 0.00 C ATOM 1067 OE1 GLN A 68 -7.611 19.838 -6.447 1.00 0.00 O ATOM 1068 NE2 GLN A 68 -5.904 19.577 -7.882 1.00 0.00 N ATOM 0 H GLN A 68 -5.681 18.120 -2.705 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.241 15.925 -3.676 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.898 17.409 -5.236 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.136 18.586 -4.184 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.052 18.435 -5.531 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -5.822 17.267 -6.586 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.053 19.070 -8.123 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -6.237 20.329 -8.485 1.00 0.00 H new ATOM 1077 N GLU A 69 -4.156 16.300 -4.791 1.00 0.00 N ATOM 1078 CA GLU A 69 -3.072 15.608 -5.471 1.00 0.00 C ATOM 1079 C GLU A 69 -2.739 14.312 -4.742 1.00 0.00 C ATOM 1080 O GLU A 69 -2.415 13.302 -5.365 1.00 0.00 O ATOM 1081 CB GLU A 69 -1.833 16.507 -5.565 1.00 0.00 C ATOM 1082 CG GLU A 69 -1.044 16.615 -4.269 1.00 0.00 C ATOM 1083 CD GLU A 69 0.256 17.377 -4.441 1.00 0.00 C ATOM 1084 OE1 GLU A 69 1.246 16.766 -4.894 1.00 0.00 O ATOM 1085 OE2 GLU A 69 0.281 18.585 -4.125 1.00 0.00 O ATOM 0 H GLU A 69 -3.908 17.219 -4.425 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.394 15.366 -6.484 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.177 16.123 -6.346 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.144 17.505 -5.873 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.655 17.112 -3.516 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.828 15.614 -3.895 1.00 0.00 H new ATOM 1092 N LEU A 70 -2.835 14.347 -3.416 1.00 0.00 N ATOM 1093 CA LEU A 70 -2.556 13.171 -2.605 1.00 0.00 C ATOM 1094 C LEU A 70 -3.558 12.072 -2.931 1.00 0.00 C ATOM 1095 O LEU A 70 -3.185 10.925 -3.178 1.00 0.00 O ATOM 1096 CB LEU A 70 -2.631 13.528 -1.115 1.00 0.00 C ATOM 1097 CG LEU A 70 -1.292 13.582 -0.371 1.00 0.00 C ATOM 1098 CD1 LEU A 70 -0.916 12.201 0.146 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -0.190 14.139 -1.263 1.00 0.00 C ATOM 0 H LEU A 70 -3.103 15.175 -2.884 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.551 12.814 -2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.118 14.498 -1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.271 12.799 -0.618 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.405 14.254 0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.037 12.256 0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.687 11.846 0.829 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.828 11.510 -0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.748 14.166 -0.709 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.075 13.502 -2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.453 15.148 -1.579 1.00 0.00 H new ATOM 1111 N ARG A 71 -4.835 12.436 -2.926 1.00 0.00 N ATOM 1112 CA ARG A 71 -5.905 11.488 -3.216 1.00 0.00 C ATOM 1113 C ARG A 71 -5.683 10.818 -4.568 1.00 0.00 C ATOM 1114 O ARG A 71 -5.797 9.598 -4.691 1.00 0.00 O ATOM 1115 CB ARG A 71 -7.260 12.199 -3.203 1.00 0.00 C ATOM 1116 CG ARG A 71 -8.390 11.346 -2.649 1.00 0.00 C ATOM 1117 CD ARG A 71 -9.257 12.131 -1.676 1.00 0.00 C ATOM 1118 NE ARG A 71 -10.422 11.366 -1.240 1.00 0.00 N ATOM 1119 CZ ARG A 71 -11.526 11.215 -1.968 1.00 0.00 C ATOM 1120 NH1 ARG A 71 -11.622 11.777 -3.167 1.00 0.00 N ATOM 1121 NH2 ARG A 71 -12.538 10.500 -1.497 1.00 0.00 N ATOM 0 H ARG A 71 -5.156 13.383 -2.724 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.898 10.720 -2.443 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.178 13.109 -2.608 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.511 12.504 -4.219 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.005 10.978 -3.470 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -7.975 10.473 -2.145 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.662 12.413 -0.807 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -9.587 13.056 -2.150 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.388 10.921 -0.323 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.847 12.328 -3.535 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -12.471 11.657 -3.720 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -12.471 10.066 -0.577 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -13.384 10.384 -2.055 1.00 0.00 H new ATOM 1135 N GLN A 72 -5.356 11.616 -5.578 1.00 0.00 N ATOM 1136 CA GLN A 72 -5.108 11.082 -6.911 1.00 0.00 C ATOM 1137 C GLN A 72 -3.830 10.247 -6.913 1.00 0.00 C ATOM 1138 O GLN A 72 -3.751 9.203 -7.565 1.00 0.00 O ATOM 1139 CB GLN A 72 -5.027 12.223 -7.939 1.00 0.00 C ATOM 1140 CG GLN A 72 -3.610 12.663 -8.289 1.00 0.00 C ATOM 1141 CD GLN A 72 -2.964 11.769 -9.330 1.00 0.00 C ATOM 1142 OE1 GLN A 72 -2.073 10.979 -9.020 1.00 0.00 O ATOM 1143 NE2 GLN A 72 -3.415 11.890 -10.574 1.00 0.00 N ATOM 0 H GLN A 72 -5.257 12.628 -5.500 1.00 0.00 H new ATOM 0 HA GLN A 72 -5.938 10.434 -7.194 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -5.531 11.908 -8.852 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -5.575 13.082 -7.552 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -3.632 13.688 -8.659 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -3.000 12.663 -7.386 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -4.156 12.559 -10.785 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -3.020 11.314 -11.318 1.00 0.00 H new ATOM 1152 N GLU A 73 -2.832 10.715 -6.168 1.00 0.00 N ATOM 1153 CA GLU A 73 -1.558 10.017 -6.071 1.00 0.00 C ATOM 1154 C GLU A 73 -1.739 8.660 -5.406 1.00 0.00 C ATOM 1155 O GLU A 73 -1.110 7.679 -5.802 1.00 0.00 O ATOM 1156 CB GLU A 73 -0.549 10.854 -5.282 1.00 0.00 C ATOM 1157 CG GLU A 73 0.899 10.554 -5.633 1.00 0.00 C ATOM 1158 CD GLU A 73 1.373 11.321 -6.851 1.00 0.00 C ATOM 1159 OE1 GLU A 73 1.609 12.541 -6.729 1.00 0.00 O ATOM 1160 OE2 GLU A 73 1.509 10.701 -7.927 1.00 0.00 O ATOM 0 H GLU A 73 -2.883 11.576 -5.623 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.177 9.863 -7.081 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.746 11.911 -5.463 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.699 10.679 -4.217 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.534 10.801 -4.782 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.011 9.485 -5.815 1.00 0.00 H new ATOM 1167 N LEU A 74 -2.643 8.595 -4.432 1.00 0.00 N ATOM 1168 CA LEU A 74 -2.938 7.334 -3.769 1.00 0.00 C ATOM 1169 C LEU A 74 -3.642 6.412 -4.757 1.00 0.00 C ATOM 1170 O LEU A 74 -3.322 5.234 -4.876 1.00 0.00 O ATOM 1171 CB LEU A 74 -3.814 7.574 -2.534 1.00 0.00 C ATOM 1172 CG LEU A 74 -3.112 8.216 -1.325 1.00 0.00 C ATOM 1173 CD1 LEU A 74 -3.081 7.251 -0.151 1.00 0.00 C ATOM 1174 CD2 LEU A 74 -1.697 8.667 -1.671 1.00 0.00 C ATOM 0 H LEU A 74 -3.177 9.393 -4.089 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.011 6.867 -3.436 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.650 8.210 -2.824 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.235 6.619 -2.220 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.686 9.099 -1.044 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.581 7.723 0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.101 6.988 0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.540 6.349 -0.436 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.233 9.115 -0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.109 7.807 -1.993 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.736 9.401 -2.476 1.00 0.00 H new ATOM 1186 N ASN A 75 -4.626 6.982 -5.449 1.00 0.00 N ATOM 1187 CA ASN A 75 -5.420 6.246 -6.431 1.00 0.00 C ATOM 1188 C ASN A 75 -4.522 5.544 -7.442 1.00 0.00 C ATOM 1189 O ASN A 75 -4.786 4.411 -7.844 1.00 0.00 O ATOM 1190 CB ASN A 75 -6.382 7.193 -7.153 1.00 0.00 C ATOM 1191 CG ASN A 75 -7.740 7.259 -6.484 1.00 0.00 C ATOM 1192 OD1 ASN A 75 -8.730 6.748 -7.009 1.00 0.00 O ATOM 1193 ND2 ASN A 75 -7.797 7.892 -5.317 1.00 0.00 N ATOM 0 H ASN A 75 -4.894 7.961 -5.346 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.997 5.489 -5.900 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -5.947 8.192 -7.186 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -6.504 6.865 -8.185 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.685 7.969 -4.821 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -6.953 8.301 -4.917 1.00 0.00 H new ATOM 1200 N THR A 76 -3.453 6.221 -7.841 1.00 0.00 N ATOM 1201 CA THR A 76 -2.509 5.655 -8.796 1.00 0.00 C ATOM 1202 C THR A 76 -1.537 4.705 -8.100 1.00 0.00 C ATOM 1203 O THR A 76 -1.301 3.597 -8.567 1.00 0.00 O ATOM 1204 CB THR A 76 -1.738 6.762 -9.520 1.00 0.00 C ATOM 1205 OG1 THR A 76 -0.792 6.208 -10.417 1.00 0.00 O ATOM 1206 CG2 THR A 76 -0.993 7.692 -8.587 1.00 0.00 C ATOM 0 H THR A 76 -3.218 7.160 -7.519 1.00 0.00 H new ATOM 0 HA THR A 76 -3.078 5.089 -9.534 1.00 0.00 H new ATOM 0 HB THR A 76 -2.497 7.340 -10.047 1.00 0.00 H new ATOM 0 HG1 THR A 76 -0.310 6.930 -10.871 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.470 8.450 -9.170 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.701 8.176 -7.914 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.271 7.121 -8.004 1.00 0.00 H new ATOM 1214 N LEU A 77 -0.962 5.167 -6.995 1.00 0.00 N ATOM 1215 CA LEU A 77 0.011 4.382 -6.232 1.00 0.00 C ATOM 1216 C LEU A 77 -0.552 3.040 -5.752 1.00 0.00 C ATOM 1217 O LEU A 77 0.150 2.029 -5.763 1.00 0.00 O ATOM 1218 CB LEU A 77 0.505 5.196 -5.032 1.00 0.00 C ATOM 1219 CG LEU A 77 1.917 5.765 -5.175 1.00 0.00 C ATOM 1220 CD1 LEU A 77 2.154 6.875 -4.162 1.00 0.00 C ATOM 1221 CD2 LEU A 77 2.951 4.660 -5.013 1.00 0.00 C ATOM 0 H LEU A 77 -1.153 6.089 -6.602 1.00 0.00 H new ATOM 0 HA LEU A 77 0.839 4.158 -6.904 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.187 6.020 -4.861 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.472 4.564 -4.145 1.00 0.00 H new ATOM 0 HG LEU A 77 2.019 6.190 -6.174 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.164 7.266 -4.281 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.433 7.676 -4.325 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.034 6.479 -3.154 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.952 5.080 -5.117 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.848 4.207 -4.027 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.795 3.900 -5.779 1.00 0.00 H new ATOM 1233 N ALA A 78 -1.800 3.039 -5.300 1.00 0.00 N ATOM 1234 CA ALA A 78 -2.433 1.825 -4.781 1.00 0.00 C ATOM 1235 C ALA A 78 -2.726 0.789 -5.868 1.00 0.00 C ATOM 1236 O ALA A 78 -2.634 -0.414 -5.625 1.00 0.00 O ATOM 1237 CB ALA A 78 -3.716 2.186 -4.048 1.00 0.00 C ATOM 0 H ALA A 78 -2.398 3.865 -5.281 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.722 1.366 -4.094 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.183 1.279 -3.664 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.485 2.855 -3.219 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.400 2.683 -4.736 1.00 0.00 H new ATOM 1243 N ASN A 79 -3.121 1.252 -7.048 1.00 0.00 N ATOM 1244 CA ASN A 79 -3.472 0.344 -8.142 1.00 0.00 C ATOM 1245 C ASN A 79 -2.384 -0.706 -8.401 1.00 0.00 C ATOM 1246 O ASN A 79 -2.681 -1.898 -8.479 1.00 0.00 O ATOM 1247 CB ASN A 79 -3.736 1.142 -9.421 1.00 0.00 C ATOM 1248 CG ASN A 79 -5.215 1.356 -9.673 1.00 0.00 C ATOM 1249 OD1 ASN A 79 -5.854 2.183 -9.023 1.00 0.00 O ATOM 1250 ND2 ASN A 79 -5.767 0.609 -10.622 1.00 0.00 N ATOM 0 H ASN A 79 -3.207 2.243 -7.275 1.00 0.00 H new ATOM 0 HA ASN A 79 -4.375 -0.188 -7.842 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.238 2.109 -9.352 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.298 0.618 -10.270 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.759 0.709 -10.837 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.199 -0.064 -11.136 1.00 0.00 H new ATOM 1257 N PRO A 80 -1.114 -0.291 -8.547 1.00 0.00 N ATOM 1258 CA PRO A 80 -0.009 -1.220 -8.804 1.00 0.00 C ATOM 1259 C PRO A 80 0.325 -2.101 -7.604 1.00 0.00 C ATOM 1260 O PRO A 80 0.824 -3.218 -7.767 1.00 0.00 O ATOM 1261 CB PRO A 80 1.166 -0.296 -9.128 1.00 0.00 C ATOM 1262 CG PRO A 80 0.841 0.979 -8.436 1.00 0.00 C ATOM 1263 CD PRO A 80 -0.655 1.105 -8.491 1.00 0.00 C ATOM 0 HA PRO A 80 -0.257 -1.921 -9.601 1.00 0.00 H new ATOM 0 HB2 PRO A 80 2.108 -0.712 -8.771 1.00 0.00 H new ATOM 0 HB3 PRO A 80 1.270 -0.149 -10.203 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.195 0.965 -7.405 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.323 1.824 -8.927 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -1.047 1.622 -7.615 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -0.979 1.670 -9.365 1.00 0.00 H new ATOM 1271 N PHE A 81 0.056 -1.611 -6.395 1.00 0.00 N ATOM 1272 CA PHE A 81 0.342 -2.372 -5.186 1.00 0.00 C ATOM 1273 C PHE A 81 -0.521 -3.625 -5.109 1.00 0.00 C ATOM 1274 O PHE A 81 -0.008 -4.732 -4.948 1.00 0.00 O ATOM 1275 CB PHE A 81 0.101 -1.490 -3.956 1.00 0.00 C ATOM 1276 CG PHE A 81 0.380 -2.158 -2.634 1.00 0.00 C ATOM 1277 CD1 PHE A 81 1.016 -3.390 -2.568 1.00 0.00 C ATOM 1278 CD2 PHE A 81 0.001 -1.545 -1.451 1.00 0.00 C ATOM 1279 CE1 PHE A 81 1.267 -3.991 -1.352 1.00 0.00 C ATOM 1280 CE2 PHE A 81 0.250 -2.142 -0.231 1.00 0.00 C ATOM 1281 CZ PHE A 81 0.886 -3.368 -0.182 1.00 0.00 C ATOM 0 H PHE A 81 -0.358 -0.694 -6.230 1.00 0.00 H new ATOM 0 HA PHE A 81 1.386 -2.684 -5.212 1.00 0.00 H new ATOM 0 HB2 PHE A 81 0.726 -0.600 -4.036 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -0.936 -1.153 -3.965 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.318 -3.884 -3.480 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.496 -0.587 -1.483 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.762 -4.950 -1.316 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.052 -1.652 0.683 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.084 -3.837 0.770 1.00 0.00 H new ATOM 1291 N LEU A 82 -1.835 -3.452 -5.224 1.00 0.00 N ATOM 1292 CA LEU A 82 -2.751 -4.582 -5.157 1.00 0.00 C ATOM 1293 C LEU A 82 -2.345 -5.656 -6.158 1.00 0.00 C ATOM 1294 O LEU A 82 -2.557 -6.847 -5.925 1.00 0.00 O ATOM 1295 CB LEU A 82 -4.188 -4.123 -5.421 1.00 0.00 C ATOM 1296 CG LEU A 82 -4.712 -3.057 -4.456 1.00 0.00 C ATOM 1297 CD1 LEU A 82 -6.179 -2.765 -4.729 1.00 0.00 C ATOM 1298 CD2 LEU A 82 -4.512 -3.499 -3.013 1.00 0.00 C ATOM 0 H LEU A 82 -2.285 -2.547 -5.363 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.702 -5.007 -4.154 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.249 -3.733 -6.437 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.846 -4.991 -5.373 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.145 -2.140 -4.615 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.534 -2.005 -4.033 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.294 -2.404 -5.751 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.762 -3.677 -4.599 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.890 -2.729 -2.341 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.052 -4.430 -2.839 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.450 -3.655 -2.824 1.00 0.00 H new ATOM 1310 N ALA A 83 -1.735 -5.235 -7.262 1.00 0.00 N ATOM 1311 CA ALA A 83 -1.277 -6.170 -8.275 1.00 0.00 C ATOM 1312 C ALA A 83 -0.049 -6.918 -7.773 1.00 0.00 C ATOM 1313 O ALA A 83 0.070 -8.130 -7.954 1.00 0.00 O ATOM 1314 CB ALA A 83 -0.965 -5.439 -9.572 1.00 0.00 C ATOM 0 H ALA A 83 -1.549 -4.255 -7.474 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.070 -6.891 -8.474 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.623 -6.155 -10.320 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.864 -4.938 -9.933 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.184 -4.699 -9.394 1.00 0.00 H new ATOM 1320 N LYS A 84 0.858 -6.187 -7.126 1.00 0.00 N ATOM 1321 CA LYS A 84 2.073 -6.786 -6.582 1.00 0.00 C ATOM 1322 C LYS A 84 1.728 -7.888 -5.590 1.00 0.00 C ATOM 1323 O LYS A 84 2.335 -8.960 -5.600 1.00 0.00 O ATOM 1324 CB LYS A 84 2.936 -5.727 -5.890 1.00 0.00 C ATOM 1325 CG LYS A 84 3.831 -4.951 -6.842 1.00 0.00 C ATOM 1326 CD LYS A 84 4.518 -3.790 -6.140 1.00 0.00 C ATOM 1327 CE LYS A 84 3.712 -2.506 -6.261 1.00 0.00 C ATOM 1328 NZ LYS A 84 4.531 -1.384 -6.794 1.00 0.00 N ATOM 0 H LYS A 84 0.774 -5.183 -6.967 1.00 0.00 H new ATOM 0 HA LYS A 84 2.635 -7.215 -7.411 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.286 -5.027 -5.365 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.556 -6.212 -5.136 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.582 -5.619 -7.263 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.238 -4.574 -7.675 1.00 0.00 H new ATOM 0 HD2 LYS A 84 4.660 -4.033 -5.087 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.509 -3.640 -6.569 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.857 -2.674 -6.916 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.315 -2.233 -5.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.945 -0.528 -6.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.333 -1.206 -6.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.889 -1.633 -7.738 1.00 0.00 H new ATOM 1342 N TYR A 85 0.746 -7.621 -4.735 1.00 0.00 N ATOM 1343 CA TYR A 85 0.326 -8.599 -3.743 1.00 0.00 C ATOM 1344 C TYR A 85 -0.434 -9.738 -4.407 1.00 0.00 C ATOM 1345 O TYR A 85 -0.318 -10.893 -3.997 1.00 0.00 O ATOM 1346 CB TYR A 85 -0.524 -7.947 -2.653 1.00 0.00 C ATOM 1347 CG TYR A 85 -0.242 -8.503 -1.278 1.00 0.00 C ATOM 1348 CD1 TYR A 85 1.064 -8.688 -0.842 1.00 0.00 C ATOM 1349 CD2 TYR A 85 -1.277 -8.845 -0.418 1.00 0.00 C ATOM 1350 CE1 TYR A 85 1.331 -9.197 0.412 1.00 0.00 C ATOM 1351 CE2 TYR A 85 -1.017 -9.353 0.840 1.00 0.00 C ATOM 1352 CZ TYR A 85 0.290 -9.527 1.249 1.00 0.00 C ATOM 1353 OH TYR A 85 0.560 -10.029 2.500 1.00 0.00 O ATOM 0 H TYR A 85 0.230 -6.741 -4.710 1.00 0.00 H new ATOM 0 HA TYR A 85 1.220 -9.007 -3.271 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -0.340 -6.873 -2.650 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -1.579 -8.089 -2.888 1.00 0.00 H new ATOM 0 HD1 TYR A 85 1.884 -8.429 -1.496 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -2.300 -8.712 -0.737 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.352 -9.336 0.735 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -1.832 -9.613 1.500 1.00 0.00 H new ATOM 0 HH TYR A 85 0.067 -10.866 2.630 1.00 0.00 H new ATOM 1363 N ARG A 86 -1.194 -9.414 -5.449 1.00 0.00 N ATOM 1364 CA ARG A 86 -1.942 -10.428 -6.180 1.00 0.00 C ATOM 1365 C ARG A 86 -0.973 -11.468 -6.730 1.00 0.00 C ATOM 1366 O ARG A 86 -1.190 -12.674 -6.603 1.00 0.00 O ATOM 1367 CB ARG A 86 -2.741 -9.790 -7.320 1.00 0.00 C ATOM 1368 CG ARG A 86 -4.219 -9.618 -7.008 1.00 0.00 C ATOM 1369 CD ARG A 86 -5.066 -10.681 -7.693 1.00 0.00 C ATOM 1370 NE ARG A 86 -5.534 -10.245 -9.008 1.00 0.00 N ATOM 1371 CZ ARG A 86 -4.968 -10.601 -10.161 1.00 0.00 C ATOM 1372 NH1 ARG A 86 -3.910 -11.402 -10.178 1.00 0.00 N ATOM 1373 NH2 ARG A 86 -5.465 -10.153 -11.306 1.00 0.00 N ATOM 0 H ARG A 86 -1.307 -8.464 -5.803 1.00 0.00 H new ATOM 0 HA ARG A 86 -2.646 -10.911 -5.503 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.312 -8.815 -7.552 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.636 -10.405 -8.214 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.372 -9.670 -5.930 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.546 -8.629 -7.329 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.483 -11.595 -7.801 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -5.923 -10.922 -7.065 1.00 0.00 H new ATOM 0 HE ARG A 86 -6.346 -9.629 -9.045 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.521 -11.752 -9.302 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.486 -11.667 -11.067 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -6.278 -9.538 -11.303 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.034 -10.424 -12.190 1.00 0.00 H new ATOM 1387 N ASP A 87 0.116 -10.980 -7.319 1.00 0.00 N ATOM 1388 CA ASP A 87 1.147 -11.848 -7.869 1.00 0.00 C ATOM 1389 C ASP A 87 1.922 -12.514 -6.739 1.00 0.00 C ATOM 1390 O ASP A 87 2.408 -13.637 -6.880 1.00 0.00 O ATOM 1391 CB ASP A 87 2.099 -11.049 -8.761 1.00 0.00 C ATOM 1392 CG ASP A 87 1.492 -10.722 -10.110 1.00 0.00 C ATOM 1393 OD1 ASP A 87 1.623 -11.547 -11.038 1.00 0.00 O ATOM 1394 OD2 ASP A 87 0.885 -9.637 -10.240 1.00 0.00 O ATOM 0 H ASP A 87 0.305 -9.983 -7.427 1.00 0.00 H new ATOM 0 HA ASP A 87 0.669 -12.618 -8.475 1.00 0.00 H new ATOM 0 HB2 ASP A 87 2.374 -10.123 -8.256 1.00 0.00 H new ATOM 0 HB3 ASP A 87 3.018 -11.617 -8.908 1.00 0.00 H new ATOM 1399 N PHE A 88 2.016 -11.818 -5.606 1.00 0.00 N ATOM 1400 CA PHE A 88 2.710 -12.344 -4.439 1.00 0.00 C ATOM 1401 C PHE A 88 1.913 -13.489 -3.826 1.00 0.00 C ATOM 1402 O PHE A 88 2.477 -14.412 -3.241 1.00 0.00 O ATOM 1403 CB PHE A 88 2.919 -11.236 -3.404 1.00 0.00 C ATOM 1404 CG PHE A 88 3.645 -11.693 -2.171 1.00 0.00 C ATOM 1405 CD1 PHE A 88 4.972 -12.083 -2.237 1.00 0.00 C ATOM 1406 CD2 PHE A 88 2.998 -11.732 -0.947 1.00 0.00 C ATOM 1407 CE1 PHE A 88 5.642 -12.504 -1.104 1.00 0.00 C ATOM 1408 CE2 PHE A 88 3.662 -12.151 0.189 1.00 0.00 C ATOM 1409 CZ PHE A 88 4.985 -12.538 0.111 1.00 0.00 C ATOM 0 H PHE A 88 1.618 -10.888 -5.475 1.00 0.00 H new ATOM 0 HA PHE A 88 3.684 -12.721 -4.752 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.479 -10.422 -3.864 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.948 -10.832 -3.115 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.489 -12.058 -3.185 1.00 0.00 H new ATOM 0 HD2 PHE A 88 1.963 -11.431 -0.880 1.00 0.00 H new ATOM 0 HE1 PHE A 88 6.677 -12.806 -1.168 1.00 0.00 H new ATOM 0 HE2 PHE A 88 3.147 -12.176 1.138 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.506 -12.867 0.998 1.00 0.00 H new ATOM 1419 N LEU A 89 0.595 -13.429 -3.990 1.00 0.00 N ATOM 1420 CA LEU A 89 -0.285 -14.471 -3.481 1.00 0.00 C ATOM 1421 C LEU A 89 -0.198 -15.690 -4.390 1.00 0.00 C ATOM 1422 O LEU A 89 -0.098 -16.827 -3.928 1.00 0.00 O ATOM 1423 CB LEU A 89 -1.729 -13.964 -3.404 1.00 0.00 C ATOM 1424 CG LEU A 89 -2.206 -13.560 -2.006 1.00 0.00 C ATOM 1425 CD1 LEU A 89 -2.437 -14.793 -1.144 1.00 0.00 C ATOM 1426 CD2 LEU A 89 -1.203 -12.624 -1.347 1.00 0.00 C ATOM 0 H LEU A 89 0.115 -12.669 -4.472 1.00 0.00 H new ATOM 0 HA LEU A 89 0.030 -14.748 -2.475 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.831 -13.105 -4.067 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.391 -14.742 -3.785 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.153 -13.029 -2.106 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.776 -14.487 -0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.195 -15.424 -1.608 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.506 -15.352 -1.052 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.560 -12.348 -0.355 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -0.240 -13.126 -1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.090 -11.726 -1.954 1.00 0.00 H new