USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 721 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 65 HIS : no HE2:sc= -2.98! C(o=-3.8!,f=-5.9!) USER MOD Set 1.2: A 77 MET CE :methyl -164:sc= -0.813 (180deg=-1.64!) USER MOD Set 2.1: A 33 CYS SG : rot 160:sc= 0.00109 USER MOD Set 2.2: A 79 CYS SG : rot 130:sc= -1.68 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 17:sc= 0.192 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.263 K(o=-0.26,f=-2.6!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 43 HIS :FLIP no HE2:sc= -0.168 F(o=-0.77,f=-0.17) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.0945 K(o=-0.094,f=-0.76) USER MOD Single : A 53 GLN : amide:sc= -0.0749 K(o=-0.075,f=-1.8!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -150:sc= -0.107 USER MOD Single : A 62 SER OG : rot -53:sc= -0.681 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.0114 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -0.405 K(o=-0.41,f=-2.3) USER MOD Single : A 98 CYS SG : rot 104:sc= 1.17 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 87 N PRO A 9 -3.236 7.685 18.087 1.00 0.00 N ATOM 88 CA PRO A 9 -3.252 7.281 16.691 1.00 0.00 C ATOM 89 C PRO A 9 -3.386 8.496 15.770 1.00 0.00 C ATOM 90 O PRO A 9 -4.314 9.291 15.917 1.00 0.00 O ATOM 91 CB PRO A 9 -4.420 6.315 16.574 1.00 0.00 C ATOM 92 CG PRO A 9 -5.295 6.570 17.791 1.00 0.00 C ATOM 93 CD PRO A 9 -4.491 7.403 18.777 1.00 0.00 C ATOM 0 HA PRO A 9 -2.323 6.801 16.381 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.975 6.484 15.651 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.072 5.282 16.552 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -6.206 7.094 17.503 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -5.599 5.628 18.247 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -5.015 8.323 19.038 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.319 6.860 19.706 1.00 0.00 H new ATOM 101 N ILE A 10 -2.446 8.602 14.842 1.00 0.00 N ATOM 102 CA ILE A 10 -2.448 9.706 13.898 1.00 0.00 C ATOM 103 C ILE A 10 -3.632 9.551 12.941 1.00 0.00 C ATOM 104 O ILE A 10 -4.235 10.541 12.529 1.00 0.00 O ATOM 105 CB ILE A 10 -1.095 9.808 13.191 1.00 0.00 C ATOM 106 CG1 ILE A 10 -0.043 10.434 14.109 1.00 0.00 C ATOM 107 CG2 ILE A 10 -1.224 10.565 11.868 1.00 0.00 C ATOM 108 CD1 ILE A 10 1.074 9.437 14.423 1.00 0.00 C ATOM 0 H ILE A 10 -1.678 7.941 14.724 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.582 10.654 14.420 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.756 8.800 12.954 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.378 11.320 13.634 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.513 10.763 15.036 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.248 10.623 11.386 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.921 10.040 11.215 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.595 11.572 12.060 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.808 9.907 15.077 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.653 8.563 14.920 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.558 9.129 13.496 1.00 0.00 H new ATOM 120 N GLY A 11 -3.928 8.302 12.615 1.00 0.00 N ATOM 121 CA GLY A 11 -5.029 8.005 11.714 1.00 0.00 C ATOM 122 C GLY A 11 -5.216 6.495 11.556 1.00 0.00 C ATOM 123 O GLY A 11 -4.258 5.732 11.671 1.00 0.00 O ATOM 0 H GLY A 11 -3.425 7.484 12.958 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.947 8.451 12.097 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.838 8.455 10.740 1.00 0.00 H new ATOM 127 N GLU A 12 -6.456 6.108 11.294 1.00 0.00 N ATOM 128 CA GLU A 12 -6.780 4.703 11.119 1.00 0.00 C ATOM 129 C GLU A 12 -7.335 4.457 9.714 1.00 0.00 C ATOM 130 O GLU A 12 -7.954 5.341 9.124 1.00 0.00 O ATOM 131 CB GLU A 12 -7.767 4.230 12.188 1.00 0.00 C ATOM 132 CG GLU A 12 -7.096 4.162 13.561 1.00 0.00 C ATOM 133 CD GLU A 12 -7.909 3.295 14.526 1.00 0.00 C ATOM 134 OE1 GLU A 12 -8.036 2.087 14.234 1.00 0.00 O ATOM 135 OE2 GLU A 12 -8.385 3.862 15.534 1.00 0.00 O ATOM 0 H GLU A 12 -7.248 6.743 11.199 1.00 0.00 H new ATOM 0 HA GLU A 12 -5.865 4.123 11.234 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.618 4.910 12.228 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.156 3.248 11.920 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.091 3.754 13.459 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.992 5.167 13.969 1.00 0.00 H new ATOM 142 N ALA A 13 -7.092 3.252 9.219 1.00 0.00 N ATOM 143 CA ALA A 13 -7.560 2.880 7.894 1.00 0.00 C ATOM 144 C ALA A 13 -8.065 1.436 7.924 1.00 0.00 C ATOM 145 O ALA A 13 -7.378 0.544 8.420 1.00 0.00 O ATOM 146 CB ALA A 13 -6.433 3.082 6.879 1.00 0.00 C ATOM 0 H ALA A 13 -6.578 2.521 9.711 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.392 3.515 7.588 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.784 2.803 5.885 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.129 4.129 6.876 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.582 2.458 7.152 1.00 0.00 H new ATOM 152 N SER A 14 -9.262 1.250 7.388 1.00 0.00 N ATOM 153 CA SER A 14 -9.867 -0.070 7.347 1.00 0.00 C ATOM 154 C SER A 14 -9.655 -0.700 5.969 1.00 0.00 C ATOM 155 O SER A 14 -9.627 0.001 4.959 1.00 0.00 O ATOM 156 CB SER A 14 -11.360 -0.002 7.676 1.00 0.00 C ATOM 157 OG SER A 14 -11.621 0.832 8.801 1.00 0.00 O ATOM 0 H SER A 14 -9.829 1.992 6.978 1.00 0.00 H new ATOM 0 HA SER A 14 -9.384 -0.691 8.101 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.905 0.375 6.811 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.734 -1.006 7.875 1.00 0.00 H new ATOM 0 HG SER A 14 -12.585 0.851 8.978 1.00 0.00 H new ATOM 163 N ILE A 15 -9.512 -2.018 5.972 1.00 0.00 N ATOM 164 CA ILE A 15 -9.304 -2.750 4.734 1.00 0.00 C ATOM 165 C ILE A 15 -10.659 -3.170 4.161 1.00 0.00 C ATOM 166 O ILE A 15 -11.433 -3.856 4.826 1.00 0.00 O ATOM 167 CB ILE A 15 -8.343 -3.919 4.959 1.00 0.00 C ATOM 168 CG1 ILE A 15 -6.905 -3.423 5.124 1.00 0.00 C ATOM 169 CG2 ILE A 15 -8.467 -4.954 3.839 1.00 0.00 C ATOM 170 CD1 ILE A 15 -5.976 -4.564 5.545 1.00 0.00 C ATOM 0 H ILE A 15 -9.536 -2.597 6.811 1.00 0.00 H new ATOM 0 HA ILE A 15 -8.827 -2.113 3.990 1.00 0.00 H new ATOM 0 HB ILE A 15 -8.621 -4.415 5.889 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.555 -2.992 4.186 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.874 -2.629 5.871 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.773 -5.774 4.023 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.486 -5.340 3.811 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.230 -4.486 2.883 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.960 -4.184 5.655 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.314 -4.977 6.495 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.991 -5.345 4.785 1.00 0.00 H new ATOM 182 N LEU A 16 -10.904 -2.740 2.931 1.00 0.00 N ATOM 183 CA LEU A 16 -12.152 -3.062 2.261 1.00 0.00 C ATOM 184 C LEU A 16 -11.937 -4.269 1.346 1.00 0.00 C ATOM 185 O LEU A 16 -12.801 -5.139 1.247 1.00 0.00 O ATOM 186 CB LEU A 16 -12.704 -1.833 1.537 1.00 0.00 C ATOM 187 CG LEU A 16 -12.541 -0.496 2.264 1.00 0.00 C ATOM 188 CD1 LEU A 16 -12.991 0.668 1.379 1.00 0.00 C ATOM 189 CD2 LEU A 16 -13.272 -0.511 3.608 1.00 0.00 C ATOM 0 H LEU A 16 -10.259 -2.172 2.382 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.913 -3.344 2.988 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -12.215 -1.758 0.566 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -13.765 -1.994 1.348 1.00 0.00 H new ATOM 0 HG LEU A 16 -11.482 -0.348 2.475 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -12.865 1.606 1.920 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -12.389 0.689 0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -14.041 0.540 1.115 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -13.141 0.450 4.104 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -14.334 -0.692 3.443 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -12.863 -1.302 4.236 1.00 0.00 H new ATOM 201 N ALA A 17 -10.780 -4.284 0.701 1.00 0.00 N ATOM 202 CA ALA A 17 -10.441 -5.371 -0.203 1.00 0.00 C ATOM 203 C ALA A 17 -8.957 -5.711 -0.049 1.00 0.00 C ATOM 204 O ALA A 17 -8.157 -4.858 0.331 1.00 0.00 O ATOM 205 CB ALA A 17 -10.803 -4.975 -1.636 1.00 0.00 C ATOM 0 H ALA A 17 -10.065 -3.561 0.786 1.00 0.00 H new ATOM 0 HA ALA A 17 -11.012 -6.267 0.041 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -10.549 -5.790 -2.314 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -11.872 -4.771 -1.698 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.246 -4.081 -1.918 1.00 0.00 H new ATOM 211 N THR A 18 -8.635 -6.960 -0.353 1.00 0.00 N ATOM 212 CA THR A 18 -7.262 -7.424 -0.254 1.00 0.00 C ATOM 213 C THR A 18 -6.892 -8.264 -1.478 1.00 0.00 C ATOM 214 O THR A 18 -7.671 -9.113 -1.910 1.00 0.00 O ATOM 215 CB THR A 18 -7.112 -8.179 1.069 1.00 0.00 C ATOM 216 OG1 THR A 18 -7.946 -9.323 0.912 1.00 0.00 O ATOM 217 CG2 THR A 18 -7.732 -7.424 2.247 1.00 0.00 C ATOM 0 H THR A 18 -9.302 -7.665 -0.668 1.00 0.00 H new ATOM 0 HA THR A 18 -6.562 -6.588 -0.250 1.00 0.00 H new ATOM 0 HB THR A 18 -6.055 -8.357 1.268 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.144 -9.455 -0.039 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.598 -8.003 3.161 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.244 -6.456 2.356 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.796 -7.275 2.064 1.00 0.00 H new ATOM 225 N PHE A 19 -5.705 -7.998 -2.002 1.00 0.00 N ATOM 226 CA PHE A 19 -5.224 -8.719 -3.168 1.00 0.00 C ATOM 227 C PHE A 19 -3.696 -8.687 -3.240 1.00 0.00 C ATOM 228 O PHE A 19 -3.040 -8.141 -2.354 1.00 0.00 O ATOM 229 CB PHE A 19 -5.795 -8.012 -4.399 1.00 0.00 C ATOM 230 CG PHE A 19 -5.364 -6.550 -4.532 1.00 0.00 C ATOM 231 CD1 PHE A 19 -4.087 -6.247 -4.890 1.00 0.00 C ATOM 232 CD2 PHE A 19 -6.257 -5.553 -4.293 1.00 0.00 C ATOM 233 CE1 PHE A 19 -3.687 -4.890 -5.014 1.00 0.00 C ATOM 234 CE2 PHE A 19 -5.858 -4.196 -4.417 1.00 0.00 C ATOM 235 CZ PHE A 19 -4.581 -3.893 -4.775 1.00 0.00 C ATOM 0 H PHE A 19 -5.062 -7.293 -1.641 1.00 0.00 H new ATOM 0 HA PHE A 19 -5.537 -9.762 -3.116 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.486 -8.554 -5.293 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -6.883 -8.057 -4.359 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.377 -7.039 -5.080 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -7.271 -5.793 -4.009 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -2.673 -4.650 -5.298 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.568 -3.405 -4.227 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.277 -2.861 -4.869 1.00 0.00 H new ATOM 245 N THR A 20 -3.173 -9.280 -4.303 1.00 0.00 N ATOM 246 CA THR A 20 -1.734 -9.327 -4.502 1.00 0.00 C ATOM 247 C THR A 20 -1.363 -8.725 -5.859 1.00 0.00 C ATOM 248 O THR A 20 -2.218 -8.580 -6.732 1.00 0.00 O ATOM 249 CB THR A 20 -1.281 -10.778 -4.336 1.00 0.00 C ATOM 250 OG1 THR A 20 -2.120 -11.289 -3.305 1.00 0.00 O ATOM 251 CG2 THR A 20 0.131 -10.888 -3.757 1.00 0.00 C ATOM 0 H THR A 20 -3.720 -9.732 -5.036 1.00 0.00 H new ATOM 0 HA THR A 20 -1.212 -8.722 -3.760 1.00 0.00 H new ATOM 0 HB THR A 20 -1.317 -11.282 -5.302 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.894 -12.227 -3.135 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.403 -11.939 -3.660 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.837 -10.390 -4.422 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.160 -10.413 -2.776 1.00 0.00 H new ATOM 259 N VAL A 21 -0.088 -8.392 -5.995 1.00 0.00 N ATOM 260 CA VAL A 21 0.406 -7.810 -7.231 1.00 0.00 C ATOM 261 C VAL A 21 1.694 -8.524 -7.647 1.00 0.00 C ATOM 262 O VAL A 21 2.358 -9.147 -6.819 1.00 0.00 O ATOM 263 CB VAL A 21 0.587 -6.300 -7.063 1.00 0.00 C ATOM 264 CG1 VAL A 21 -0.765 -5.584 -7.060 1.00 0.00 C ATOM 265 CG2 VAL A 21 1.379 -5.981 -5.794 1.00 0.00 C ATOM 0 H VAL A 21 0.618 -8.514 -5.269 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.317 -7.950 -8.034 1.00 0.00 H new ATOM 0 HB VAL A 21 1.159 -5.934 -7.916 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.609 -4.512 -6.939 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.278 -5.772 -8.003 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.373 -5.957 -6.236 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.493 -4.901 -5.698 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.846 -6.368 -4.926 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.363 -6.446 -5.853 1.00 0.00 H new ATOM 275 N THR A 22 2.009 -8.409 -8.928 1.00 0.00 N ATOM 276 CA THR A 22 3.206 -9.036 -9.464 1.00 0.00 C ATOM 277 C THR A 22 4.231 -7.973 -9.863 1.00 0.00 C ATOM 278 O THR A 22 3.886 -6.984 -10.508 1.00 0.00 O ATOM 279 CB THR A 22 2.787 -9.942 -10.623 1.00 0.00 C ATOM 280 OG1 THR A 22 1.660 -10.653 -10.118 1.00 0.00 O ATOM 281 CG2 THR A 22 3.818 -11.035 -10.913 1.00 0.00 C ATOM 0 H THR A 22 1.456 -7.891 -9.611 1.00 0.00 H new ATOM 0 HA THR A 22 3.700 -9.653 -8.713 1.00 0.00 H new ATOM 0 HB THR A 22 2.635 -9.339 -11.518 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.323 -11.263 -10.807 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.472 -11.650 -11.744 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.772 -10.576 -11.174 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.945 -11.659 -10.028 1.00 0.00 H new ATOM 289 N GLU A 23 5.471 -8.212 -9.463 1.00 0.00 N ATOM 290 CA GLU A 23 6.549 -7.288 -9.771 1.00 0.00 C ATOM 291 C GLU A 23 7.846 -8.054 -10.037 1.00 0.00 C ATOM 292 O GLU A 23 8.537 -8.456 -9.101 1.00 0.00 O ATOM 293 CB GLU A 23 6.735 -6.268 -8.646 1.00 0.00 C ATOM 294 CG GLU A 23 5.609 -5.232 -8.653 1.00 0.00 C ATOM 295 CD GLU A 23 6.172 -3.810 -8.610 1.00 0.00 C ATOM 296 OE1 GLU A 23 6.715 -3.447 -7.544 1.00 0.00 O ATOM 297 OE2 GLU A 23 6.046 -3.118 -9.643 1.00 0.00 O ATOM 0 H GLU A 23 5.753 -9.033 -8.928 1.00 0.00 H new ATOM 0 HA GLU A 23 6.283 -6.739 -10.674 1.00 0.00 H new ATOM 0 HB2 GLU A 23 6.756 -6.781 -7.685 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.696 -5.767 -8.760 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.999 -5.359 -9.547 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.955 -5.394 -7.796 1.00 0.00 H new ATOM 304 N GLY A 24 8.139 -8.235 -11.316 1.00 0.00 N ATOM 305 CA GLY A 24 9.341 -8.946 -11.716 1.00 0.00 C ATOM 306 C GLY A 24 9.302 -10.399 -11.240 1.00 0.00 C ATOM 307 O GLY A 24 10.267 -10.890 -10.656 1.00 0.00 O ATOM 0 H GLY A 24 7.564 -7.901 -12.090 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.441 -8.918 -12.801 1.00 0.00 H new ATOM 0 HA3 GLY A 24 10.218 -8.447 -11.302 1.00 0.00 H new ATOM 311 N LYS A 25 8.178 -11.046 -11.506 1.00 0.00 N ATOM 312 CA LYS A 25 8.001 -12.434 -11.112 1.00 0.00 C ATOM 313 C LYS A 25 7.494 -12.488 -9.669 1.00 0.00 C ATOM 314 O LYS A 25 6.503 -13.158 -9.381 1.00 0.00 O ATOM 315 CB LYS A 25 9.290 -13.224 -11.341 1.00 0.00 C ATOM 316 CG LYS A 25 8.999 -14.562 -12.024 1.00 0.00 C ATOM 317 CD LYS A 25 8.871 -15.687 -10.994 1.00 0.00 C ATOM 318 CE LYS A 25 8.144 -16.894 -11.589 1.00 0.00 C ATOM 319 NZ LYS A 25 8.946 -18.124 -11.406 1.00 0.00 N ATOM 0 H LYS A 25 7.380 -10.635 -11.990 1.00 0.00 H new ATOM 0 HA LYS A 25 7.246 -12.914 -11.734 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.975 -12.639 -11.955 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.788 -13.399 -10.387 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.078 -14.487 -12.602 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.798 -14.797 -12.727 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.862 -15.987 -10.652 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.328 -15.325 -10.121 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.172 -17.012 -11.111 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.959 -16.728 -12.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.438 -18.934 -11.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.864 -18.014 -11.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.101 -18.290 -10.391 1.00 0.00 H new ATOM 333 N LYS A 26 8.197 -11.775 -8.801 1.00 0.00 N ATOM 334 CA LYS A 26 7.830 -11.735 -7.396 1.00 0.00 C ATOM 335 C LYS A 26 6.344 -11.396 -7.271 1.00 0.00 C ATOM 336 O LYS A 26 5.732 -10.908 -8.220 1.00 0.00 O ATOM 337 CB LYS A 26 8.746 -10.776 -6.631 1.00 0.00 C ATOM 338 CG LYS A 26 9.150 -11.366 -5.279 1.00 0.00 C ATOM 339 CD LYS A 26 8.660 -10.485 -4.128 1.00 0.00 C ATOM 340 CE LYS A 26 9.468 -9.188 -4.048 1.00 0.00 C ATOM 341 NZ LYS A 26 9.881 -8.920 -2.653 1.00 0.00 N ATOM 0 H LYS A 26 9.018 -11.221 -9.044 1.00 0.00 H new ATOM 0 HA LYS A 26 7.974 -12.713 -6.936 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.638 -10.569 -7.223 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.237 -9.824 -6.479 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.734 -12.368 -5.177 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.234 -11.464 -5.230 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.604 -10.252 -4.268 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.745 -11.029 -3.187 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.348 -9.261 -4.686 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.871 -8.357 -4.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.428 -8.036 -2.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.037 -8.829 -2.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.469 -9.706 -2.308 1.00 0.00 H new ATOM 355 N LYS A 27 5.805 -11.668 -6.091 1.00 0.00 N ATOM 356 CA LYS A 27 4.401 -11.398 -5.829 1.00 0.00 C ATOM 357 C LYS A 27 4.269 -10.661 -4.495 1.00 0.00 C ATOM 358 O LYS A 27 4.364 -11.272 -3.432 1.00 0.00 O ATOM 359 CB LYS A 27 3.585 -12.690 -5.902 1.00 0.00 C ATOM 360 CG LYS A 27 3.665 -13.311 -7.298 1.00 0.00 C ATOM 361 CD LYS A 27 2.289 -13.789 -7.766 1.00 0.00 C ATOM 362 CE LYS A 27 1.892 -15.089 -7.064 1.00 0.00 C ATOM 363 NZ LYS A 27 2.498 -16.253 -7.750 1.00 0.00 N ATOM 0 H LYS A 27 6.315 -12.072 -5.306 1.00 0.00 H new ATOM 0 HA LYS A 27 3.988 -10.744 -6.597 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.955 -13.400 -5.162 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.545 -12.482 -5.652 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.059 -12.579 -8.003 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.361 -14.150 -7.287 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.544 -13.020 -7.562 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.301 -13.943 -8.845 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.217 -15.062 -6.024 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.807 -15.188 -7.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.219 -17.128 -7.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.167 -16.286 -8.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.534 -16.164 -7.736 1.00 0.00 H new ATOM 377 N ILE A 28 4.050 -9.358 -4.595 1.00 0.00 N ATOM 378 CA ILE A 28 3.903 -8.531 -3.409 1.00 0.00 C ATOM 379 C ILE A 28 2.417 -8.382 -3.077 1.00 0.00 C ATOM 380 O ILE A 28 1.634 -7.928 -3.909 1.00 0.00 O ATOM 381 CB ILE A 28 4.628 -7.196 -3.593 1.00 0.00 C ATOM 382 CG1 ILE A 28 6.088 -7.416 -3.996 1.00 0.00 C ATOM 383 CG2 ILE A 28 4.504 -6.327 -2.340 1.00 0.00 C ATOM 384 CD1 ILE A 28 6.190 -7.914 -5.439 1.00 0.00 C ATOM 0 H ILE A 28 3.971 -8.855 -5.479 1.00 0.00 H new ATOM 0 HA ILE A 28 4.376 -9.009 -2.551 1.00 0.00 H new ATOM 0 HB ILE A 28 4.147 -6.656 -4.408 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.643 -6.484 -3.889 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.549 -8.140 -3.324 1.00 0.00 H new ATOM 0 HG21 ILE A 28 5.028 -5.384 -2.498 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.452 -6.128 -2.138 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.944 -6.849 -1.490 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.238 -8.062 -5.700 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.655 -8.859 -5.537 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.750 -7.177 -6.110 1.00 0.00 H new ATOM 396 N PRO A 29 2.064 -8.785 -1.827 1.00 0.00 N ATOM 397 CA PRO A 29 0.686 -8.701 -1.374 1.00 0.00 C ATOM 398 C PRO A 29 0.301 -7.256 -1.055 1.00 0.00 C ATOM 399 O PRO A 29 1.017 -6.563 -0.333 1.00 0.00 O ATOM 400 CB PRO A 29 0.613 -9.617 -0.163 1.00 0.00 C ATOM 401 CG PRO A 29 2.049 -9.815 0.296 1.00 0.00 C ATOM 402 CD PRO A 29 2.965 -9.328 -0.814 1.00 0.00 C ATOM 0 HA PRO A 29 -0.027 -9.014 -2.137 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.008 -9.172 0.627 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.150 -10.570 -0.421 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.236 -9.260 1.216 1.00 0.00 H new ATOM 0 HG3 PRO A 29 2.239 -10.866 0.514 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.657 -8.568 -0.451 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.568 -10.142 -1.216 1.00 0.00 H new ATOM 410 N VAL A 30 -0.830 -6.842 -1.608 1.00 0.00 N ATOM 411 CA VAL A 30 -1.319 -5.491 -1.391 1.00 0.00 C ATOM 412 C VAL A 30 -2.620 -5.548 -0.587 1.00 0.00 C ATOM 413 O VAL A 30 -3.303 -6.570 -0.575 1.00 0.00 O ATOM 414 CB VAL A 30 -1.477 -4.770 -2.732 1.00 0.00 C ATOM 415 CG1 VAL A 30 -2.239 -3.455 -2.560 1.00 0.00 C ATOM 416 CG2 VAL A 30 -0.116 -4.534 -3.390 1.00 0.00 C ATOM 0 H VAL A 30 -1.422 -7.419 -2.206 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.601 -4.914 -0.809 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.061 -5.411 -3.392 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.338 -2.962 -3.527 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.230 -3.659 -2.154 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.693 -2.805 -1.876 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.256 -4.020 -4.341 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.504 -3.922 -2.735 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.375 -5.491 -3.564 1.00 0.00 H new ATOM 426 N ALA A 31 -2.922 -4.436 0.067 1.00 0.00 N ATOM 427 CA ALA A 31 -4.128 -4.345 0.872 1.00 0.00 C ATOM 428 C ALA A 31 -4.792 -2.987 0.638 1.00 0.00 C ATOM 429 O ALA A 31 -4.222 -1.948 0.966 1.00 0.00 O ATOM 430 CB ALA A 31 -3.778 -4.576 2.344 1.00 0.00 C ATOM 0 H ALA A 31 -2.352 -3.590 0.056 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.842 -5.116 0.581 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.683 -4.508 2.948 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.337 -5.566 2.462 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.065 -3.819 2.672 1.00 0.00 H new ATOM 436 N ASP A 32 -5.989 -3.040 0.072 1.00 0.00 N ATOM 437 CA ASP A 32 -6.737 -1.827 -0.210 1.00 0.00 C ATOM 438 C ASP A 32 -7.533 -1.422 1.032 1.00 0.00 C ATOM 439 O ASP A 32 -8.430 -2.145 1.462 1.00 0.00 O ATOM 440 CB ASP A 32 -7.728 -2.044 -1.356 1.00 0.00 C ATOM 441 CG ASP A 32 -7.449 -1.225 -2.617 1.00 0.00 C ATOM 442 OD1 ASP A 32 -6.309 -0.723 -2.727 1.00 0.00 O ATOM 443 OD2 ASP A 32 -8.381 -1.120 -3.444 1.00 0.00 O ATOM 0 H ASP A 32 -6.459 -3.904 -0.199 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.025 -1.051 -0.490 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.728 -3.101 -1.621 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.730 -1.804 -1.000 1.00 0.00 H new ATOM 448 N CYS A 33 -7.174 -0.268 1.575 1.00 0.00 N ATOM 449 CA CYS A 33 -7.843 0.241 2.760 1.00 0.00 C ATOM 450 C CYS A 33 -8.289 1.678 2.480 1.00 0.00 C ATOM 451 O CYS A 33 -7.599 2.421 1.784 1.00 0.00 O ATOM 452 CB CYS A 33 -6.948 0.152 3.998 1.00 0.00 C ATOM 453 SG CYS A 33 -5.268 0.760 3.600 1.00 0.00 S ATOM 0 H CYS A 33 -6.429 0.329 1.216 1.00 0.00 H new ATOM 0 HA CYS A 33 -8.716 -0.373 2.980 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -7.375 0.742 4.809 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -6.897 -0.879 4.347 1.00 0.00 H new ATOM 0 HG CYS A 33 -4.652 1.084 4.698 1.00 0.00 H new ATOM 459 N ARG A 34 -9.439 2.026 3.038 1.00 0.00 N ATOM 460 CA ARG A 34 -9.985 3.361 2.857 1.00 0.00 C ATOM 461 C ARG A 34 -9.847 4.170 4.148 1.00 0.00 C ATOM 462 O ARG A 34 -10.388 3.788 5.185 1.00 0.00 O ATOM 463 CB ARG A 34 -11.460 3.303 2.454 1.00 0.00 C ATOM 464 CG ARG A 34 -11.964 4.681 2.021 1.00 0.00 C ATOM 465 CD ARG A 34 -13.031 5.202 2.986 1.00 0.00 C ATOM 466 NE ARG A 34 -14.021 6.021 2.251 1.00 0.00 N ATOM 467 CZ ARG A 34 -15.020 6.696 2.836 1.00 0.00 C ATOM 468 NH1 ARG A 34 -15.167 6.654 4.167 1.00 0.00 N ATOM 469 NH2 ARG A 34 -15.871 7.413 2.090 1.00 0.00 N ATOM 0 H ARG A 34 -10.008 1.407 3.616 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.421 3.845 2.059 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -11.590 2.591 1.639 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -12.056 2.941 3.292 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -11.130 5.382 1.982 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -12.377 4.621 1.014 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -13.530 4.366 3.475 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -12.564 5.798 3.770 1.00 0.00 H new ATOM 0 HE ARG A 34 -13.938 6.075 1.236 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -14.519 6.108 4.735 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -15.927 7.168 4.613 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -15.759 7.445 1.077 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -16.631 7.927 2.535 1.00 0.00 H new ATOM 483 N VAL A 35 -9.120 5.273 4.043 1.00 0.00 N ATOM 484 CA VAL A 35 -8.905 6.139 5.190 1.00 0.00 C ATOM 485 C VAL A 35 -10.258 6.584 5.749 1.00 0.00 C ATOM 486 O VAL A 35 -11.074 7.155 5.027 1.00 0.00 O ATOM 487 CB VAL A 35 -8.005 7.312 4.797 1.00 0.00 C ATOM 488 CG1 VAL A 35 -7.798 8.263 5.978 1.00 0.00 C ATOM 489 CG2 VAL A 35 -6.665 6.816 4.251 1.00 0.00 C ATOM 0 H VAL A 35 -8.673 5.587 3.182 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.387 5.601 5.984 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.505 7.867 4.003 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.155 9.088 5.672 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.762 8.655 6.303 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.330 7.724 6.802 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.044 7.670 3.979 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.157 6.226 5.014 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.837 6.198 3.370 1.00 0.00 H new ATOM 499 N GLN A 36 -10.454 6.307 7.029 1.00 0.00 N ATOM 500 CA GLN A 36 -11.694 6.671 7.693 1.00 0.00 C ATOM 501 C GLN A 36 -11.480 7.900 8.579 1.00 0.00 C ATOM 502 O GLN A 36 -12.370 8.739 8.708 1.00 0.00 O ATOM 503 CB GLN A 36 -12.246 5.499 8.506 1.00 0.00 C ATOM 504 CG GLN A 36 -12.600 4.320 7.597 1.00 0.00 C ATOM 505 CD GLN A 36 -14.115 4.121 7.523 1.00 0.00 C ATOM 506 OE1 GLN A 36 -14.873 4.613 8.342 1.00 0.00 O ATOM 507 NE2 GLN A 36 -14.513 3.374 6.497 1.00 0.00 N ATOM 0 H GLN A 36 -9.774 5.834 7.625 1.00 0.00 H new ATOM 0 HA GLN A 36 -12.432 6.920 6.930 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.509 5.185 9.245 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -13.132 5.818 9.055 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -12.203 4.495 6.597 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -12.128 3.412 7.973 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -13.826 2.992 5.847 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -15.506 3.183 6.360 1.00 0.00 H new ATOM 516 N LYS A 37 -10.294 7.968 9.166 1.00 0.00 N ATOM 517 CA LYS A 37 -9.952 9.080 10.036 1.00 0.00 C ATOM 518 C LYS A 37 -8.461 9.393 9.894 1.00 0.00 C ATOM 519 O LYS A 37 -7.649 8.490 9.699 1.00 0.00 O ATOM 520 CB LYS A 37 -10.385 8.788 11.474 1.00 0.00 C ATOM 521 CG LYS A 37 -9.313 7.987 12.217 1.00 0.00 C ATOM 522 CD LYS A 37 -9.776 7.633 13.632 1.00 0.00 C ATOM 523 CE LYS A 37 -11.052 6.790 13.598 1.00 0.00 C ATOM 524 NZ LYS A 37 -12.210 7.584 14.066 1.00 0.00 N ATOM 0 H LYS A 37 -9.558 7.271 9.056 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.496 9.977 9.740 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.573 9.725 11.998 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.322 8.232 11.470 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.088 7.074 11.665 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.390 8.565 12.266 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.988 7.086 14.150 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.955 8.547 14.199 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.233 6.435 12.584 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.930 5.909 14.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.068 6.997 14.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.041 7.902 15.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.336 8.412 13.449 1.00 0.00 H new ATOM 538 N GLY A 38 -8.146 10.676 9.997 1.00 0.00 N ATOM 539 CA GLY A 38 -6.767 11.120 9.882 1.00 0.00 C ATOM 540 C GLY A 38 -6.245 10.923 8.458 1.00 0.00 C ATOM 541 O GLY A 38 -6.996 11.060 7.493 1.00 0.00 O ATOM 0 H GLY A 38 -8.822 11.422 10.159 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.696 12.172 10.157 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.143 10.565 10.582 1.00 0.00 H new ATOM 545 N GLN A 39 -4.962 10.606 8.371 1.00 0.00 N ATOM 546 CA GLN A 39 -4.330 10.389 7.080 1.00 0.00 C ATOM 547 C GLN A 39 -3.232 9.330 7.198 1.00 0.00 C ATOM 548 O GLN A 39 -2.944 8.848 8.292 1.00 0.00 O ATOM 549 CB GLN A 39 -3.771 11.697 6.517 1.00 0.00 C ATOM 550 CG GLN A 39 -2.986 12.463 7.584 1.00 0.00 C ATOM 551 CD GLN A 39 -2.470 13.795 7.035 1.00 0.00 C ATOM 552 OE1 GLN A 39 -3.062 14.407 6.161 1.00 0.00 O ATOM 553 NE2 GLN A 39 -1.336 14.208 7.594 1.00 0.00 N ATOM 0 H GLN A 39 -4.342 10.494 9.173 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.086 10.025 6.384 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.123 11.483 5.667 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.588 12.316 6.147 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.624 12.645 8.449 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -2.147 11.858 7.928 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.892 13.647 8.321 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.910 15.086 7.296 1.00 0.00 H new ATOM 562 N LEU A 40 -2.649 8.998 6.055 1.00 0.00 N ATOM 563 CA LEU A 40 -1.590 8.005 6.016 1.00 0.00 C ATOM 564 C LEU A 40 -0.300 8.660 5.518 1.00 0.00 C ATOM 565 O LEU A 40 -0.279 9.259 4.443 1.00 0.00 O ATOM 566 CB LEU A 40 -2.023 6.792 5.190 1.00 0.00 C ATOM 567 CG LEU A 40 -3.343 6.137 5.601 1.00 0.00 C ATOM 568 CD1 LEU A 40 -3.681 4.961 4.683 1.00 0.00 C ATOM 569 CD2 LEU A 40 -3.316 5.726 7.074 1.00 0.00 C ATOM 0 H LEU A 40 -2.891 9.400 5.149 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.388 7.624 7.017 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.101 7.097 4.147 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.235 6.041 5.244 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.139 6.873 5.487 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.624 4.513 4.997 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.772 5.315 3.656 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.888 4.215 4.741 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.266 5.263 7.340 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.507 5.014 7.238 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.155 6.607 7.695 1.00 0.00 H new ATOM 581 N GLU A 41 0.744 8.524 6.321 1.00 0.00 N ATOM 582 CA GLU A 41 2.034 9.095 5.975 1.00 0.00 C ATOM 583 C GLU A 41 3.050 7.985 5.699 1.00 0.00 C ATOM 584 O GLU A 41 3.099 6.990 6.421 1.00 0.00 O ATOM 585 CB GLU A 41 2.533 10.032 7.077 1.00 0.00 C ATOM 586 CG GLU A 41 1.465 11.066 7.442 1.00 0.00 C ATOM 587 CD GLU A 41 1.643 11.553 8.882 1.00 0.00 C ATOM 588 OE1 GLU A 41 2.802 11.855 9.240 1.00 0.00 O ATOM 589 OE2 GLU A 41 0.616 11.613 9.592 1.00 0.00 O ATOM 0 H GLU A 41 0.723 8.026 7.211 1.00 0.00 H new ATOM 0 HA GLU A 41 1.915 9.686 5.067 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.799 9.451 7.960 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.438 10.540 6.745 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.524 11.913 6.758 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.474 10.628 7.322 1.00 0.00 H new ATOM 596 N ARG A 42 3.836 8.192 4.653 1.00 0.00 N ATOM 597 CA ARG A 42 4.847 7.220 4.273 1.00 0.00 C ATOM 598 C ARG A 42 6.099 7.393 5.135 1.00 0.00 C ATOM 599 O ARG A 42 7.136 7.840 4.647 1.00 0.00 O ATOM 600 CB ARG A 42 5.227 7.369 2.798 1.00 0.00 C ATOM 601 CG ARG A 42 6.089 6.194 2.333 1.00 0.00 C ATOM 602 CD ARG A 42 5.453 5.488 1.134 1.00 0.00 C ATOM 603 NE ARG A 42 6.311 5.648 -0.062 1.00 0.00 N ATOM 604 CZ ARG A 42 7.457 4.982 -0.258 1.00 0.00 C ATOM 605 NH1 ARG A 42 7.889 4.107 0.660 1.00 0.00 N ATOM 606 NH2 ARG A 42 8.170 5.191 -1.373 1.00 0.00 N ATOM 0 H ARG A 42 3.793 9.018 4.057 1.00 0.00 H new ATOM 0 HA ARG A 42 4.428 6.226 4.430 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.324 7.425 2.190 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.769 8.303 2.651 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.083 6.552 2.064 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.216 5.485 3.151 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.317 4.429 1.355 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.464 5.903 0.940 1.00 0.00 H new ATOM 0 HE ARG A 42 6.011 6.306 -0.781 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.345 3.948 1.508 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.761 3.600 0.511 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.840 5.857 -2.072 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.043 4.684 -1.523 1.00 0.00 H new ATOM 620 N HIS A 43 5.962 7.029 6.401 1.00 0.00 N ATOM 621 CA HIS A 43 7.069 7.138 7.336 1.00 0.00 C ATOM 622 C HIS A 43 6.629 6.639 8.713 1.00 0.00 C ATOM 623 O HIS A 43 7.315 5.826 9.331 1.00 0.00 O ATOM 624 CB HIS A 43 7.613 8.568 7.369 1.00 0.00 C ATOM 625 CG HIS A 43 8.650 8.805 8.441 1.00 0.00 C ATOM 626 ND1 HIS A 43 9.409 7.927 9.157 1.00 0.00 N flip ATOM 627 CD2 HIS A 43 8.998 10.071 8.880 1.00 0.00 C flip ATOM 628 CE1 HIS A 43 10.181 8.618 9.987 1.00 0.00 C flip ATOM 629 NE2 HIS A 43 9.927 9.948 9.817 1.00 0.00 N flip ATOM 0 H HIS A 43 5.101 6.658 6.802 1.00 0.00 H new ATOM 0 HA HIS A 43 7.893 6.505 7.005 1.00 0.00 H new ATOM 0 HB2 HIS A 43 8.049 8.803 6.398 1.00 0.00 H new ATOM 0 HB3 HIS A 43 6.783 9.258 7.521 1.00 0.00 H new ATOM 0 HD1 HIS A 43 9.387 6.911 9.070 1.00 0.00 H new ATOM 0 HD2 HIS A 43 8.583 11.001 8.520 1.00 0.00 H new ATOM 0 HE1 HIS A 43 10.893 8.197 10.682 1.00 0.00 H new ATOM 637 N LYS A 44 5.488 7.146 9.154 1.00 0.00 N ATOM 638 CA LYS A 44 4.948 6.762 10.448 1.00 0.00 C ATOM 639 C LYS A 44 4.929 5.235 10.554 1.00 0.00 C ATOM 640 O LYS A 44 5.309 4.539 9.614 1.00 0.00 O ATOM 641 CB LYS A 44 3.581 7.411 10.672 1.00 0.00 C ATOM 642 CG LYS A 44 3.695 8.937 10.689 1.00 0.00 C ATOM 643 CD LYS A 44 4.101 9.441 12.075 1.00 0.00 C ATOM 644 CE LYS A 44 4.251 10.964 12.083 1.00 0.00 C ATOM 645 NZ LYS A 44 5.677 11.344 11.972 1.00 0.00 N ATOM 0 H LYS A 44 4.922 7.820 8.639 1.00 0.00 H new ATOM 0 HA LYS A 44 5.585 7.130 11.252 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.894 7.103 9.883 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.160 7.064 11.615 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.430 9.259 9.951 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.741 9.380 10.402 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.352 9.142 12.808 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.042 8.978 12.373 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.688 11.395 11.255 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.830 11.372 13.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.762 12.381 11.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.205 10.948 12.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.068 10.971 11.083 1.00 0.00 H new ATOM 659 N LYS A 45 4.481 4.760 11.707 1.00 0.00 N ATOM 660 CA LYS A 45 4.408 3.329 11.949 1.00 0.00 C ATOM 661 C LYS A 45 2.988 2.840 11.657 1.00 0.00 C ATOM 662 O LYS A 45 2.042 3.627 11.663 1.00 0.00 O ATOM 663 CB LYS A 45 4.894 2.999 13.361 1.00 0.00 C ATOM 664 CG LYS A 45 6.390 2.674 13.364 1.00 0.00 C ATOM 665 CD LYS A 45 7.228 3.954 13.351 1.00 0.00 C ATOM 666 CE LYS A 45 8.330 3.898 14.411 1.00 0.00 C ATOM 667 NZ LYS A 45 9.661 3.807 13.770 1.00 0.00 N ATOM 0 H LYS A 45 4.165 5.341 12.484 1.00 0.00 H new ATOM 0 HA LYS A 45 5.076 2.793 11.274 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.700 3.843 14.023 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.333 2.151 13.754 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.636 2.083 14.246 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.636 2.065 12.494 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.673 4.092 12.366 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.586 4.815 13.534 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.283 4.787 15.040 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.174 3.038 15.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.398 3.770 14.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.708 2.946 13.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.814 4.641 13.168 1.00 0.00 H new ATOM 681 N PHE A 46 2.882 1.543 11.409 1.00 0.00 N ATOM 682 CA PHE A 46 1.594 0.939 11.116 1.00 0.00 C ATOM 683 C PHE A 46 1.537 -0.505 11.619 1.00 0.00 C ATOM 684 O PHE A 46 2.557 -1.068 12.014 1.00 0.00 O ATOM 685 CB PHE A 46 1.434 0.943 9.594 1.00 0.00 C ATOM 686 CG PHE A 46 1.448 2.341 8.971 1.00 0.00 C ATOM 687 CD1 PHE A 46 2.606 3.053 8.925 1.00 0.00 C ATOM 688 CD2 PHE A 46 0.304 2.870 8.462 1.00 0.00 C ATOM 689 CE1 PHE A 46 2.620 4.349 8.347 1.00 0.00 C ATOM 690 CE2 PHE A 46 0.317 4.167 7.884 1.00 0.00 C ATOM 691 CZ PHE A 46 1.475 4.879 7.838 1.00 0.00 C ATOM 0 H PHE A 46 3.668 0.893 11.405 1.00 0.00 H new ATOM 0 HA PHE A 46 0.800 1.499 11.611 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.236 0.352 9.153 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.496 0.451 9.336 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.515 2.632 9.328 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.615 2.304 8.497 1.00 0.00 H new ATOM 0 HE1 PHE A 46 3.539 4.914 8.311 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.592 4.588 7.481 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.486 5.865 7.397 1.00 0.00 H new ATOM 701 N LYS A 47 0.336 -1.062 11.587 1.00 0.00 N ATOM 702 CA LYS A 47 0.133 -2.430 12.035 1.00 0.00 C ATOM 703 C LYS A 47 -1.203 -2.945 11.497 1.00 0.00 C ATOM 704 O LYS A 47 -2.137 -2.169 11.297 1.00 0.00 O ATOM 705 CB LYS A 47 0.259 -2.519 13.557 1.00 0.00 C ATOM 706 CG LYS A 47 -0.436 -1.337 14.235 1.00 0.00 C ATOM 707 CD LYS A 47 -0.786 -1.667 15.688 1.00 0.00 C ATOM 708 CE LYS A 47 -1.047 -0.392 16.492 1.00 0.00 C ATOM 709 NZ LYS A 47 -1.910 -0.683 17.658 1.00 0.00 N ATOM 0 H LYS A 47 -0.507 -0.591 11.258 1.00 0.00 H new ATOM 0 HA LYS A 47 0.910 -3.082 11.635 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.180 -3.453 13.908 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.312 -2.536 13.838 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.213 -0.462 14.203 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.343 -1.081 13.688 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.668 -2.307 15.717 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.030 -2.228 16.144 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.101 0.033 16.829 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.523 0.355 15.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.078 0.193 18.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.819 -1.067 17.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.441 -1.379 18.272 1.00 0.00 H new ATOM 723 N LEU A 48 -1.253 -4.251 11.278 1.00 0.00 N ATOM 724 CA LEU A 48 -2.459 -4.879 10.767 1.00 0.00 C ATOM 725 C LEU A 48 -3.165 -5.618 11.906 1.00 0.00 C ATOM 726 O LEU A 48 -2.599 -6.532 12.503 1.00 0.00 O ATOM 727 CB LEU A 48 -2.133 -5.769 9.566 1.00 0.00 C ATOM 728 CG LEU A 48 -3.328 -6.435 8.880 1.00 0.00 C ATOM 729 CD1 LEU A 48 -4.146 -5.413 8.089 1.00 0.00 C ATOM 730 CD2 LEU A 48 -2.875 -7.607 8.008 1.00 0.00 C ATOM 0 H LEU A 48 -0.477 -4.891 11.445 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.153 -4.125 10.396 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.604 -5.168 8.827 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.446 -6.549 9.893 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.982 -6.842 9.651 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.989 -5.913 7.612 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.516 -4.642 8.765 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.516 -4.955 7.326 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.743 -8.063 7.532 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.188 -7.247 7.242 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.370 -8.348 8.628 1.00 0.00 H new ATOM 742 N ILE A 49 -4.392 -5.194 12.172 1.00 0.00 N ATOM 743 CA ILE A 49 -5.182 -5.804 13.228 1.00 0.00 C ATOM 744 C ILE A 49 -6.291 -6.653 12.604 1.00 0.00 C ATOM 745 O ILE A 49 -7.198 -6.124 11.965 1.00 0.00 O ATOM 746 CB ILE A 49 -5.696 -4.737 14.197 1.00 0.00 C ATOM 747 CG1 ILE A 49 -4.535 -4.020 14.889 1.00 0.00 C ATOM 748 CG2 ILE A 49 -6.679 -5.338 15.203 1.00 0.00 C ATOM 749 CD1 ILE A 49 -3.711 -3.213 13.884 1.00 0.00 C ATOM 0 H ILE A 49 -4.858 -4.435 11.674 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.565 -6.475 13.826 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.241 -3.988 13.622 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.922 -3.357 15.663 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.896 -4.750 15.385 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.029 -4.559 15.880 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.529 -5.765 14.671 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.180 -6.119 15.776 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.892 -2.714 14.402 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.305 -3.882 13.125 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.347 -2.467 13.407 1.00 0.00 H new ATOM 761 N ARG A 50 -6.181 -7.957 12.813 1.00 0.00 N ATOM 762 CA ARG A 50 -7.164 -8.885 12.279 1.00 0.00 C ATOM 763 C ARG A 50 -7.810 -9.685 13.412 1.00 0.00 C ATOM 764 O ARG A 50 -7.143 -10.477 14.076 1.00 0.00 O ATOM 765 CB ARG A 50 -6.523 -9.853 11.282 1.00 0.00 C ATOM 766 CG ARG A 50 -7.584 -10.713 10.593 1.00 0.00 C ATOM 767 CD ARG A 50 -7.042 -12.110 10.285 1.00 0.00 C ATOM 768 NE ARG A 50 -6.597 -12.182 8.876 1.00 0.00 N ATOM 769 CZ ARG A 50 -6.301 -13.323 8.238 1.00 0.00 C ATOM 770 NH1 ARG A 50 -6.400 -14.494 8.881 1.00 0.00 N ATOM 771 NH2 ARG A 50 -5.905 -13.292 6.958 1.00 0.00 N ATOM 0 H ARG A 50 -5.427 -8.393 13.344 1.00 0.00 H new ATOM 0 HA ARG A 50 -7.925 -8.300 11.763 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.963 -9.292 10.534 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.810 -10.494 11.800 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -8.464 -10.793 11.232 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -7.904 -10.231 9.669 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.210 -12.341 10.950 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -7.814 -12.857 10.470 1.00 0.00 H new ATOM 0 HE ARG A 50 -6.510 -11.308 8.357 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.700 -14.517 9.855 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.175 -15.363 8.396 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.829 -12.400 6.469 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.680 -14.160 6.473 1.00 0.00 H new ATOM 785 N ASN A 51 -9.100 -9.450 13.599 1.00 0.00 N ATOM 786 CA ASN A 51 -9.843 -10.138 14.640 1.00 0.00 C ATOM 787 C ASN A 51 -9.533 -9.494 15.993 1.00 0.00 C ATOM 788 O ASN A 51 -10.041 -9.932 17.024 1.00 0.00 O ATOM 789 CB ASN A 51 -9.446 -11.614 14.717 1.00 0.00 C ATOM 790 CG ASN A 51 -10.605 -12.468 15.235 1.00 0.00 C ATOM 791 OD1 ASN A 51 -11.757 -12.274 14.886 1.00 0.00 O ATOM 792 ND2 ASN A 51 -10.236 -13.421 16.086 1.00 0.00 N ATOM 0 H ASN A 51 -9.650 -8.792 13.047 1.00 0.00 H new ATOM 0 HA ASN A 51 -10.904 -10.062 14.403 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -9.144 -11.965 13.730 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -8.584 -11.728 15.374 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.936 -14.044 16.489 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -9.253 -13.529 16.336 1.00 0.00 H new ATOM 799 N GLY A 52 -8.702 -8.464 15.945 1.00 0.00 N ATOM 800 CA GLY A 52 -8.318 -7.755 17.154 1.00 0.00 C ATOM 801 C GLY A 52 -6.845 -7.999 17.488 1.00 0.00 C ATOM 802 O GLY A 52 -6.263 -7.283 18.302 1.00 0.00 O ATOM 0 H GLY A 52 -8.283 -8.103 15.088 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.493 -6.687 17.025 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.942 -8.082 17.986 1.00 0.00 H new ATOM 806 N GLN A 53 -6.285 -9.011 16.843 1.00 0.00 N ATOM 807 CA GLN A 53 -4.891 -9.358 17.062 1.00 0.00 C ATOM 808 C GLN A 53 -4.011 -8.729 15.981 1.00 0.00 C ATOM 809 O GLN A 53 -4.451 -8.544 14.847 1.00 0.00 O ATOM 810 CB GLN A 53 -4.704 -10.876 17.107 1.00 0.00 C ATOM 811 CG GLN A 53 -4.534 -11.449 15.698 1.00 0.00 C ATOM 812 CD GLN A 53 -4.809 -12.954 15.681 1.00 0.00 C ATOM 813 OE1 GLN A 53 -5.282 -13.535 16.644 1.00 0.00 O ATOM 814 NE2 GLN A 53 -4.488 -13.550 14.536 1.00 0.00 N ATOM 0 H GLN A 53 -6.771 -9.602 16.169 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.585 -8.959 18.029 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -3.830 -11.121 17.711 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.565 -11.338 17.590 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -5.214 -10.944 15.012 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.521 -11.257 15.343 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.096 -13.004 13.769 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.634 -14.553 14.425 1.00 0.00 H new ATOM 823 N VAL A 54 -2.783 -8.418 16.369 1.00 0.00 N ATOM 824 CA VAL A 54 -1.837 -7.813 15.446 1.00 0.00 C ATOM 825 C VAL A 54 -1.034 -8.915 14.751 1.00 0.00 C ATOM 826 O VAL A 54 -0.515 -9.817 15.406 1.00 0.00 O ATOM 827 CB VAL A 54 -0.954 -6.807 16.187 1.00 0.00 C ATOM 828 CG1 VAL A 54 0.375 -6.603 15.457 1.00 0.00 C ATOM 829 CG2 VAL A 54 -1.684 -5.476 16.380 1.00 0.00 C ATOM 0 H VAL A 54 -2.421 -8.573 17.310 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.363 -7.255 14.671 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.735 -7.215 17.174 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.984 -5.883 16.004 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.905 -7.553 15.394 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.184 -6.227 14.452 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.035 -4.778 16.909 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.947 -5.061 15.407 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.591 -5.640 16.961 1.00 0.00 H new ATOM 839 N ILE A 55 -0.957 -8.804 13.433 1.00 0.00 N ATOM 840 CA ILE A 55 -0.227 -9.780 12.642 1.00 0.00 C ATOM 841 C ILE A 55 1.094 -9.165 12.175 1.00 0.00 C ATOM 842 O ILE A 55 2.132 -9.824 12.197 1.00 0.00 O ATOM 843 CB ILE A 55 -1.098 -10.305 11.499 1.00 0.00 C ATOM 844 CG1 ILE A 55 -1.943 -9.182 10.893 1.00 0.00 C ATOM 845 CG2 ILE A 55 -1.959 -11.482 11.962 1.00 0.00 C ATOM 846 CD1 ILE A 55 -3.281 -9.047 11.622 1.00 0.00 C ATOM 0 H ILE A 55 -1.388 -8.053 12.893 1.00 0.00 H new ATOM 0 HA ILE A 55 0.022 -10.651 13.248 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.441 -10.675 10.712 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.397 -8.240 10.950 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.119 -9.385 9.837 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.568 -11.836 11.131 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.315 -12.290 12.310 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.608 -11.160 12.776 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.861 -8.242 11.171 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.835 -9.982 11.542 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.101 -8.820 12.673 1.00 0.00 H new ATOM 858 N TRP A 56 1.012 -7.908 11.763 1.00 0.00 N ATOM 859 CA TRP A 56 2.188 -7.197 11.291 1.00 0.00 C ATOM 860 C TRP A 56 2.250 -5.852 12.019 1.00 0.00 C ATOM 861 O TRP A 56 1.239 -5.164 12.146 1.00 0.00 O ATOM 862 CB TRP A 56 2.167 -7.052 9.768 1.00 0.00 C ATOM 863 CG TRP A 56 3.318 -6.215 9.207 1.00 0.00 C ATOM 864 CD1 TRP A 56 4.502 -6.643 8.748 1.00 0.00 C ATOM 865 CD2 TRP A 56 3.347 -4.779 9.062 1.00 0.00 C ATOM 866 NE1 TRP A 56 5.289 -5.593 8.321 1.00 0.00 N ATOM 867 CE2 TRP A 56 4.564 -4.424 8.517 1.00 0.00 C ATOM 868 CE3 TRP A 56 2.376 -3.813 9.381 1.00 0.00 C ATOM 869 CZ2 TRP A 56 4.923 -3.099 8.244 1.00 0.00 C ATOM 870 CZ3 TRP A 56 2.751 -2.494 9.101 1.00 0.00 C ATOM 871 CH2 TRP A 56 3.972 -2.119 8.553 1.00 0.00 C ATOM 0 H TRP A 56 0.149 -7.364 11.746 1.00 0.00 H new ATOM 0 HA TRP A 56 3.095 -7.758 11.517 1.00 0.00 H new ATOM 0 HB2 TRP A 56 2.200 -8.044 9.318 1.00 0.00 H new ATOM 0 HB3 TRP A 56 1.222 -6.598 9.469 1.00 0.00 H new ATOM 0 HD1 TRP A 56 4.803 -7.680 8.716 1.00 0.00 H new ATOM 0 HE1 TRP A 56 6.230 -5.662 7.933 1.00 0.00 H new ATOM 0 HE3 TRP A 56 1.417 -4.069 9.808 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 5.883 -2.846 7.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 2.041 -1.712 9.327 1.00 0.00 H new ATOM 0 HH2 TRP A 56 4.186 -1.077 8.366 1.00 0.00 H new ATOM 882 N LYS A 57 3.448 -5.519 12.477 1.00 0.00 N ATOM 883 CA LYS A 57 3.656 -4.269 13.188 1.00 0.00 C ATOM 884 C LYS A 57 4.961 -3.627 12.713 1.00 0.00 C ATOM 885 O LYS A 57 6.040 -4.179 12.920 1.00 0.00 O ATOM 886 CB LYS A 57 3.598 -4.497 14.700 1.00 0.00 C ATOM 887 CG LYS A 57 4.063 -3.253 15.460 1.00 0.00 C ATOM 888 CD LYS A 57 2.993 -2.780 16.446 1.00 0.00 C ATOM 889 CE LYS A 57 3.348 -3.186 17.877 1.00 0.00 C ATOM 890 NZ LYS A 57 2.268 -2.793 18.810 1.00 0.00 N ATOM 0 H LYS A 57 4.284 -6.093 12.370 1.00 0.00 H new ATOM 0 HA LYS A 57 2.854 -3.565 12.963 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.579 -4.748 14.995 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.226 -5.347 14.968 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.985 -3.474 15.997 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.290 -2.455 14.753 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.892 -1.696 16.386 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.028 -3.206 16.172 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.506 -4.263 17.927 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.284 -2.713 18.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.525 -3.076 19.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.136 -1.762 18.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.383 -3.265 18.535 1.00 0.00 H new ATOM 904 N GLY A 58 4.819 -2.470 12.083 1.00 0.00 N ATOM 905 CA GLY A 58 5.973 -1.747 11.576 1.00 0.00 C ATOM 906 C GLY A 58 5.547 -0.655 10.592 1.00 0.00 C ATOM 907 O GLY A 58 4.379 -0.272 10.552 1.00 0.00 O ATOM 0 H GLY A 58 3.922 -2.015 11.912 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.520 -1.300 12.406 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.653 -2.441 11.082 1.00 0.00 H new ATOM 911 N SER A 59 6.518 -0.186 9.823 1.00 0.00 N ATOM 912 CA SER A 59 6.259 0.854 8.842 1.00 0.00 C ATOM 913 C SER A 59 6.014 0.228 7.468 1.00 0.00 C ATOM 914 O SER A 59 6.590 -0.810 7.143 1.00 0.00 O ATOM 915 CB SER A 59 7.420 1.848 8.773 1.00 0.00 C ATOM 916 OG SER A 59 7.964 2.124 10.061 1.00 0.00 O ATOM 0 H SER A 59 7.486 -0.507 9.859 1.00 0.00 H new ATOM 0 HA SER A 59 5.367 1.400 9.150 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.202 1.448 8.127 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.075 2.777 8.318 1.00 0.00 H new ATOM 0 HG SER A 59 8.704 2.761 9.974 1.00 0.00 H new ATOM 922 N LEU A 60 5.160 0.885 6.697 1.00 0.00 N ATOM 923 CA LEU A 60 4.832 0.405 5.365 1.00 0.00 C ATOM 924 C LEU A 60 6.053 0.562 4.456 1.00 0.00 C ATOM 925 O LEU A 60 6.481 1.681 4.174 1.00 0.00 O ATOM 926 CB LEU A 60 3.578 1.105 4.837 1.00 0.00 C ATOM 927 CG LEU A 60 2.337 1.019 5.728 1.00 0.00 C ATOM 928 CD1 LEU A 60 1.296 2.063 5.319 1.00 0.00 C ATOM 929 CD2 LEU A 60 1.759 -0.398 5.728 1.00 0.00 C ATOM 0 H LEU A 60 4.685 1.746 6.969 1.00 0.00 H new ATOM 0 HA LEU A 60 4.589 -0.657 5.392 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.814 2.157 4.676 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.332 0.681 3.863 1.00 0.00 H new ATOM 0 HG LEU A 60 2.635 1.245 6.752 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.424 1.981 5.968 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.725 3.061 5.413 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.996 1.892 4.285 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.878 -0.432 6.369 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.480 -0.677 4.712 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.507 -1.096 6.103 1.00 0.00 H new ATOM 941 N THR A 61 6.578 -0.574 4.023 1.00 0.00 N ATOM 942 CA THR A 61 7.741 -0.576 3.151 1.00 0.00 C ATOM 943 C THR A 61 7.424 0.141 1.837 1.00 0.00 C ATOM 944 O THR A 61 8.329 0.469 1.071 1.00 0.00 O ATOM 945 CB THR A 61 8.186 -2.027 2.960 1.00 0.00 C ATOM 946 OG1 THR A 61 9.385 -2.127 3.724 1.00 0.00 O ATOM 947 CG2 THR A 61 8.633 -2.319 1.526 1.00 0.00 C ATOM 0 H THR A 61 6.220 -1.499 4.259 1.00 0.00 H new ATOM 0 HA THR A 61 8.569 -0.023 3.595 1.00 0.00 H new ATOM 0 HB THR A 61 7.368 -2.695 3.228 1.00 0.00 H new ATOM 0 HG1 THR A 61 9.976 -2.795 3.319 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.938 -3.362 1.445 1.00 0.00 H new ATOM 0 HG22 THR A 61 7.806 -2.129 0.841 1.00 0.00 H new ATOM 0 HG23 THR A 61 9.473 -1.674 1.268 1.00 0.00 H new ATOM 955 N SER A 62 6.137 0.362 1.616 1.00 0.00 N ATOM 956 CA SER A 62 5.689 1.033 0.408 1.00 0.00 C ATOM 957 C SER A 62 4.221 1.441 0.549 1.00 0.00 C ATOM 958 O SER A 62 3.470 0.819 1.298 1.00 0.00 O ATOM 959 CB SER A 62 5.877 0.140 -0.820 1.00 0.00 C ATOM 960 OG SER A 62 7.048 -0.665 -0.721 1.00 0.00 O ATOM 0 H SER A 62 5.389 0.088 2.254 1.00 0.00 H new ATOM 0 HA SER A 62 6.296 1.928 0.269 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.004 -0.503 -0.938 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.939 0.761 -1.714 1.00 0.00 H new ATOM 0 HG SER A 62 7.822 -0.095 -0.529 1.00 0.00 H new ATOM 966 N LEU A 63 3.857 2.483 -0.183 1.00 0.00 N ATOM 967 CA LEU A 63 2.492 2.981 -0.150 1.00 0.00 C ATOM 968 C LEU A 63 2.193 3.726 -1.452 1.00 0.00 C ATOM 969 O LEU A 63 2.930 4.633 -1.835 1.00 0.00 O ATOM 970 CB LEU A 63 2.260 3.821 1.108 1.00 0.00 C ATOM 971 CG LEU A 63 1.090 4.806 1.049 1.00 0.00 C ATOM 972 CD1 LEU A 63 -0.236 4.100 1.338 1.00 0.00 C ATOM 973 CD2 LEU A 63 1.324 5.992 1.987 1.00 0.00 C ATOM 0 H LEU A 63 4.483 2.997 -0.803 1.00 0.00 H new ATOM 0 HA LEU A 63 1.785 2.153 -0.088 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.098 3.145 1.948 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.171 4.381 1.320 1.00 0.00 H new ATOM 0 HG LEU A 63 1.029 5.204 0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.051 4.822 1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.401 3.317 0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.203 3.656 2.333 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.478 6.677 1.926 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.426 5.632 3.011 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.235 6.514 1.694 1.00 0.00 H new ATOM 985 N LYS A 64 1.111 3.316 -2.096 1.00 0.00 N ATOM 986 CA LYS A 64 0.705 3.934 -3.347 1.00 0.00 C ATOM 987 C LYS A 64 -0.814 4.114 -3.353 1.00 0.00 C ATOM 988 O LYS A 64 -1.540 3.309 -2.772 1.00 0.00 O ATOM 989 CB LYS A 64 1.234 3.131 -4.537 1.00 0.00 C ATOM 990 CG LYS A 64 2.762 3.044 -4.504 1.00 0.00 C ATOM 991 CD LYS A 64 3.315 2.615 -5.865 1.00 0.00 C ATOM 992 CE LYS A 64 4.521 1.688 -5.698 1.00 0.00 C ATOM 993 NZ LYS A 64 5.216 1.504 -6.992 1.00 0.00 N ATOM 0 H LYS A 64 0.502 2.563 -1.775 1.00 0.00 H new ATOM 0 HA LYS A 64 1.144 4.927 -3.441 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.809 2.128 -4.521 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.913 3.599 -5.468 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.179 4.012 -4.226 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.073 2.332 -3.740 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.537 2.107 -6.434 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.605 3.496 -6.438 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.210 2.107 -4.965 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.194 0.722 -5.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 6.032 0.872 -6.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.560 1.084 -7.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.545 2.426 -7.344 1.00 0.00 H new ATOM 1007 N HIS A 65 -1.250 5.175 -4.017 1.00 0.00 N ATOM 1008 CA HIS A 65 -2.669 5.471 -4.106 1.00 0.00 C ATOM 1009 C HIS A 65 -3.283 4.693 -5.272 1.00 0.00 C ATOM 1010 O HIS A 65 -3.940 5.275 -6.134 1.00 0.00 O ATOM 1011 CB HIS A 65 -2.904 6.979 -4.211 1.00 0.00 C ATOM 1012 CG HIS A 65 -4.359 7.367 -4.327 1.00 0.00 C ATOM 1013 ND1 HIS A 65 -5.317 6.970 -3.410 1.00 0.00 N ATOM 1014 CD2 HIS A 65 -5.009 8.121 -5.260 1.00 0.00 C ATOM 1015 CE1 HIS A 65 -6.486 7.467 -3.785 1.00 0.00 C ATOM 1016 NE2 HIS A 65 -6.293 8.179 -4.932 1.00 0.00 N ATOM 0 H HIS A 65 -0.645 5.840 -4.498 1.00 0.00 H new ATOM 0 HA HIS A 65 -3.170 5.147 -3.194 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.478 7.465 -3.333 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -2.366 7.361 -5.079 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -5.151 6.393 -2.586 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.555 8.591 -6.120 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -7.427 7.332 -3.272 1.00 0.00 H new ATOM 1075 N ASP A 69 2.627 7.399 -6.759 1.00 0.00 N ATOM 1076 CA ASP A 69 3.600 7.488 -5.683 1.00 0.00 C ATOM 1077 C ASP A 69 3.301 8.724 -4.832 1.00 0.00 C ATOM 1078 O ASP A 69 3.951 9.758 -4.982 1.00 0.00 O ATOM 1079 CB ASP A 69 5.020 7.626 -6.235 1.00 0.00 C ATOM 1080 CG ASP A 69 5.332 6.744 -7.446 1.00 0.00 C ATOM 1081 OD1 ASP A 69 5.145 5.515 -7.316 1.00 0.00 O ATOM 1082 OD2 ASP A 69 5.749 7.319 -8.474 1.00 0.00 O ATOM 0 HA ASP A 69 3.531 6.576 -5.089 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.187 8.667 -6.510 1.00 0.00 H new ATOM 0 HB3 ASP A 69 5.727 7.389 -5.440 1.00 0.00 H new ATOM 1087 N ILE A 70 2.317 8.577 -3.957 1.00 0.00 N ATOM 1088 CA ILE A 70 1.925 9.669 -3.082 1.00 0.00 C ATOM 1089 C ILE A 70 2.730 9.591 -1.784 1.00 0.00 C ATOM 1090 O ILE A 70 3.427 8.607 -1.539 1.00 0.00 O ATOM 1091 CB ILE A 70 0.410 9.665 -2.867 1.00 0.00 C ATOM 1092 CG1 ILE A 70 -0.059 10.980 -2.240 1.00 0.00 C ATOM 1093 CG2 ILE A 70 -0.024 8.451 -2.043 1.00 0.00 C ATOM 1094 CD1 ILE A 70 -1.501 11.296 -2.642 1.00 0.00 C ATOM 0 H ILE A 70 1.780 7.719 -3.835 1.00 0.00 H new ATOM 0 HA ILE A 70 2.156 10.629 -3.544 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.072 9.583 -3.841 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.014 10.916 -1.154 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.596 11.792 -2.556 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.105 8.473 -1.905 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.257 7.537 -2.566 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.467 8.477 -1.070 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.809 12.235 -2.183 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.565 11.384 -3.727 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.157 10.494 -2.303 1.00 0.00 H new ATOM 1106 N SER A 71 2.608 10.641 -0.985 1.00 0.00 N ATOM 1107 CA SER A 71 3.316 10.704 0.283 1.00 0.00 C ATOM 1108 C SER A 71 2.316 10.723 1.440 1.00 0.00 C ATOM 1109 O SER A 71 2.574 10.151 2.498 1.00 0.00 O ATOM 1110 CB SER A 71 4.225 11.933 0.345 1.00 0.00 C ATOM 1111 OG SER A 71 3.481 13.140 0.486 1.00 0.00 O ATOM 0 H SER A 71 2.029 11.455 -1.191 1.00 0.00 H new ATOM 0 HA SER A 71 3.944 9.817 0.369 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.915 11.832 1.183 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.829 11.983 -0.561 1.00 0.00 H new ATOM 0 HG SER A 71 4.097 13.901 0.524 1.00 0.00 H new ATOM 1117 N VAL A 72 1.195 11.387 1.201 1.00 0.00 N ATOM 1118 CA VAL A 72 0.155 11.489 2.210 1.00 0.00 C ATOM 1119 C VAL A 72 -1.198 11.154 1.579 1.00 0.00 C ATOM 1120 O VAL A 72 -1.473 11.548 0.446 1.00 0.00 O ATOM 1121 CB VAL A 72 0.186 12.876 2.856 1.00 0.00 C ATOM 1122 CG1 VAL A 72 -1.158 13.207 3.509 1.00 0.00 C ATOM 1123 CG2 VAL A 72 1.329 12.985 3.867 1.00 0.00 C ATOM 0 H VAL A 72 0.984 11.860 0.322 1.00 0.00 H new ATOM 0 HA VAL A 72 0.328 10.769 3.010 1.00 0.00 H new ATOM 0 HB VAL A 72 0.365 13.608 2.069 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.109 14.198 3.961 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.943 13.191 2.753 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.380 12.468 4.279 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.328 13.980 4.311 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.195 12.238 4.650 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.279 12.814 3.361 1.00 0.00 H new ATOM 1133 N ILE A 73 -2.007 10.430 2.339 1.00 0.00 N ATOM 1134 CA ILE A 73 -3.324 10.037 1.867 1.00 0.00 C ATOM 1135 C ILE A 73 -4.391 10.669 2.764 1.00 0.00 C ATOM 1136 O ILE A 73 -4.342 10.530 3.985 1.00 0.00 O ATOM 1137 CB ILE A 73 -3.426 8.514 1.770 1.00 0.00 C ATOM 1138 CG1 ILE A 73 -2.534 7.975 0.649 1.00 0.00 C ATOM 1139 CG2 ILE A 73 -4.881 8.071 1.607 1.00 0.00 C ATOM 1140 CD1 ILE A 73 -3.105 8.331 -0.725 1.00 0.00 C ATOM 0 H ILE A 73 -1.776 10.105 3.278 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.494 10.409 0.857 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.062 8.087 2.705 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.530 8.388 0.748 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.444 6.893 0.740 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.925 6.984 1.540 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.462 8.406 2.467 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.294 8.507 0.698 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.452 7.936 -1.504 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.099 7.896 -0.830 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.171 9.415 -0.822 1.00 0.00 H new ATOM 1152 N LYS A 74 -5.330 11.350 2.123 1.00 0.00 N ATOM 1153 CA LYS A 74 -6.407 12.003 2.847 1.00 0.00 C ATOM 1154 C LYS A 74 -7.529 10.995 3.101 1.00 0.00 C ATOM 1155 O LYS A 74 -7.432 9.837 2.698 1.00 0.00 O ATOM 1156 CB LYS A 74 -6.865 13.260 2.105 1.00 0.00 C ATOM 1157 CG LYS A 74 -5.674 14.153 1.749 1.00 0.00 C ATOM 1158 CD LYS A 74 -5.978 15.006 0.516 1.00 0.00 C ATOM 1159 CE LYS A 74 -4.687 15.432 -0.186 1.00 0.00 C ATOM 1160 NZ LYS A 74 -4.803 15.233 -1.648 1.00 0.00 N ATOM 0 H LYS A 74 -5.367 11.463 1.110 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.059 12.345 3.822 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.396 12.977 1.196 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.568 13.816 2.725 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.435 14.800 2.593 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.795 13.536 1.561 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.604 14.442 -0.176 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.545 15.889 0.811 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.478 16.480 0.029 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.848 14.854 0.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.919 15.527 -2.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.981 14.228 -1.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.591 15.804 -2.015 1.00 0.00 H new ATOM 1174 N THR A 75 -8.569 11.472 3.769 1.00 0.00 N ATOM 1175 CA THR A 75 -9.709 10.627 4.082 1.00 0.00 C ATOM 1176 C THR A 75 -10.584 10.432 2.843 1.00 0.00 C ATOM 1177 O THR A 75 -10.614 11.286 1.958 1.00 0.00 O ATOM 1178 CB THR A 75 -10.455 11.258 5.260 1.00 0.00 C ATOM 1179 OG1 THR A 75 -9.464 11.378 6.276 1.00 0.00 O ATOM 1180 CG2 THR A 75 -11.497 10.315 5.865 1.00 0.00 C ATOM 0 H THR A 75 -8.646 12.433 4.102 1.00 0.00 H new ATOM 0 HA THR A 75 -9.391 9.627 4.377 1.00 0.00 H new ATOM 0 HB THR A 75 -10.943 12.175 4.931 1.00 0.00 H new ATOM 0 HG1 THR A 75 -9.863 11.780 7.076 1.00 0.00 H new ATOM 0 HG21 THR A 75 -11.997 10.811 6.697 1.00 0.00 H new ATOM 0 HG22 THR A 75 -12.232 10.050 5.105 1.00 0.00 H new ATOM 0 HG23 THR A 75 -11.005 9.411 6.225 1.00 0.00 H new ATOM 1188 N GLY A 76 -11.275 9.301 2.818 1.00 0.00 N ATOM 1189 CA GLY A 76 -12.149 8.982 1.702 1.00 0.00 C ATOM 1190 C GLY A 76 -11.337 8.588 0.466 1.00 0.00 C ATOM 1191 O GLY A 76 -11.891 8.436 -0.622 1.00 0.00 O ATOM 0 H GLY A 76 -11.247 8.594 3.553 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -12.816 8.165 1.979 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -12.777 9.842 1.470 1.00 0.00 H new ATOM 1195 N MET A 77 -10.038 8.433 0.675 1.00 0.00 N ATOM 1196 CA MET A 77 -9.145 8.059 -0.408 1.00 0.00 C ATOM 1197 C MET A 77 -8.724 6.593 -0.290 1.00 0.00 C ATOM 1198 O MET A 77 -8.344 6.137 0.788 1.00 0.00 O ATOM 1199 CB MET A 77 -7.903 8.952 -0.377 1.00 0.00 C ATOM 1200 CG MET A 77 -8.208 10.336 -0.953 1.00 0.00 C ATOM 1201 SD MET A 77 -7.450 10.510 -2.559 1.00 0.00 S ATOM 1202 CE MET A 77 -5.732 10.322 -2.113 1.00 0.00 C ATOM 0 H MET A 77 -9.582 8.560 1.579 1.00 0.00 H new ATOM 0 HA MET A 77 -9.674 8.190 -1.352 1.00 0.00 H new ATOM 0 HB2 MET A 77 -7.548 9.051 0.649 1.00 0.00 H new ATOM 0 HB3 MET A 77 -7.101 8.485 -0.948 1.00 0.00 H new ATOM 0 HG2 MET A 77 -9.286 10.476 -1.034 1.00 0.00 H new ATOM 0 HG3 MET A 77 -7.836 11.109 -0.281 1.00 0.00 H new ATOM 0 HE1 MET A 77 -5.103 10.680 -2.928 1.00 0.00 H new ATOM 0 HE2 MET A 77 -5.524 10.901 -1.213 1.00 0.00 H new ATOM 0 HE3 MET A 77 -5.518 9.270 -1.924 1.00 0.00 H new ATOM 1212 N ASP A 78 -8.804 5.895 -1.413 1.00 0.00 N ATOM 1213 CA ASP A 78 -8.436 4.490 -1.449 1.00 0.00 C ATOM 1214 C ASP A 78 -6.966 4.362 -1.857 1.00 0.00 C ATOM 1215 O ASP A 78 -6.563 4.867 -2.903 1.00 0.00 O ATOM 1216 CB ASP A 78 -9.278 3.725 -2.472 1.00 0.00 C ATOM 1217 CG ASP A 78 -10.602 4.393 -2.847 1.00 0.00 C ATOM 1218 OD1 ASP A 78 -11.502 4.398 -1.979 1.00 0.00 O ATOM 1219 OD2 ASP A 78 -10.686 4.884 -3.994 1.00 0.00 O ATOM 0 H ASP A 78 -9.118 6.276 -2.305 1.00 0.00 H new ATOM 0 HA ASP A 78 -8.607 4.072 -0.457 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -8.687 3.589 -3.378 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.489 2.731 -2.077 1.00 0.00 H new ATOM 1224 N CYS A 79 -6.207 3.685 -1.008 1.00 0.00 N ATOM 1225 CA CYS A 79 -4.791 3.485 -1.267 1.00 0.00 C ATOM 1226 C CYS A 79 -4.440 2.035 -0.927 1.00 0.00 C ATOM 1227 O CYS A 79 -5.171 1.372 -0.192 1.00 0.00 O ATOM 1228 CB CYS A 79 -3.927 4.479 -0.488 1.00 0.00 C ATOM 1229 SG CYS A 79 -4.240 4.306 1.307 1.00 0.00 S ATOM 0 H CYS A 79 -6.545 3.268 -0.141 1.00 0.00 H new ATOM 0 HA CYS A 79 -4.582 3.671 -2.321 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.873 4.302 -0.701 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -4.150 5.497 -0.808 1.00 0.00 H new ATOM 0 HG CYS A 79 -3.108 4.194 1.936 1.00 0.00 H new ATOM 1235 N GLY A 80 -3.322 1.585 -1.477 1.00 0.00 N ATOM 1236 CA GLY A 80 -2.866 0.226 -1.241 1.00 0.00 C ATOM 1237 C GLY A 80 -1.473 0.217 -0.608 1.00 0.00 C ATOM 1238 O GLY A 80 -0.543 0.823 -1.138 1.00 0.00 O ATOM 0 H GLY A 80 -2.718 2.138 -2.086 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -3.570 -0.289 -0.587 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.845 -0.323 -2.182 1.00 0.00 H new ATOM 1242 N LEU A 81 -1.374 -0.476 0.516 1.00 0.00 N ATOM 1243 CA LEU A 81 -0.110 -0.572 1.227 1.00 0.00 C ATOM 1244 C LEU A 81 0.330 -2.036 1.281 1.00 0.00 C ATOM 1245 O LEU A 81 -0.478 -2.921 1.555 1.00 0.00 O ATOM 1246 CB LEU A 81 -0.218 0.089 2.603 1.00 0.00 C ATOM 1247 CG LEU A 81 -1.327 -0.439 3.516 1.00 0.00 C ATOM 1248 CD1 LEU A 81 -0.891 -1.726 4.219 1.00 0.00 C ATOM 1249 CD2 LEU A 81 -1.776 0.634 4.510 1.00 0.00 C ATOM 0 H LEU A 81 -2.148 -0.977 0.952 1.00 0.00 H new ATOM 0 HA LEU A 81 0.668 -0.024 0.696 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.736 -0.030 3.117 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.371 1.159 2.459 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.190 -0.686 2.898 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.697 -2.080 4.862 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.660 -2.487 3.474 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.005 -1.529 4.823 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.565 0.233 5.147 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.930 0.935 5.127 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.154 1.499 3.965 1.00 0.00 H new ATOM 1261 N SER A 82 1.611 -2.245 1.016 1.00 0.00 N ATOM 1262 CA SER A 82 2.169 -3.587 1.031 1.00 0.00 C ATOM 1263 C SER A 82 3.223 -3.703 2.133 1.00 0.00 C ATOM 1264 O SER A 82 4.005 -2.779 2.349 1.00 0.00 O ATOM 1265 CB SER A 82 2.778 -3.945 -0.326 1.00 0.00 C ATOM 1266 OG SER A 82 3.627 -2.912 -0.820 1.00 0.00 O ATOM 0 H SER A 82 2.279 -1.508 0.790 1.00 0.00 H new ATOM 0 HA SER A 82 1.362 -4.291 1.234 1.00 0.00 H new ATOM 0 HB2 SER A 82 3.348 -4.870 -0.235 1.00 0.00 H new ATOM 0 HB3 SER A 82 1.979 -4.132 -1.044 1.00 0.00 H new ATOM 0 HG SER A 82 3.997 -3.180 -1.687 1.00 0.00 H new ATOM 1272 N LEU A 83 3.211 -4.847 2.802 1.00 0.00 N ATOM 1273 CA LEU A 83 4.156 -5.096 3.876 1.00 0.00 C ATOM 1274 C LEU A 83 5.383 -5.816 3.314 1.00 0.00 C ATOM 1275 O LEU A 83 5.272 -6.594 2.368 1.00 0.00 O ATOM 1276 CB LEU A 83 3.477 -5.846 5.025 1.00 0.00 C ATOM 1277 CG LEU A 83 2.146 -5.266 5.510 1.00 0.00 C ATOM 1278 CD1 LEU A 83 1.504 -6.173 6.562 1.00 0.00 C ATOM 1279 CD2 LEU A 83 2.325 -3.834 6.019 1.00 0.00 C ATOM 0 H LEU A 83 2.561 -5.612 2.620 1.00 0.00 H new ATOM 0 HA LEU A 83 4.504 -4.155 4.301 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.309 -6.876 4.711 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.166 -5.878 5.869 1.00 0.00 H new ATOM 0 HG LEU A 83 1.462 -5.223 4.662 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.560 -5.738 6.890 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.320 -7.157 6.131 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.174 -6.271 7.416 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.365 -3.445 6.358 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.032 -3.829 6.849 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.707 -3.207 5.214 1.00 0.00 H new ATOM 1291 N ASP A 84 6.527 -5.530 3.919 1.00 0.00 N ATOM 1292 CA ASP A 84 7.774 -6.140 3.491 1.00 0.00 C ATOM 1293 C ASP A 84 7.707 -7.649 3.730 1.00 0.00 C ATOM 1294 O ASP A 84 8.375 -8.421 3.043 1.00 0.00 O ATOM 1295 CB ASP A 84 8.959 -5.587 4.285 1.00 0.00 C ATOM 1296 CG ASP A 84 8.996 -5.996 5.759 1.00 0.00 C ATOM 1297 OD1 ASP A 84 8.014 -5.674 6.462 1.00 0.00 O ATOM 1298 OD2 ASP A 84 10.006 -6.620 6.150 1.00 0.00 O ATOM 0 H ASP A 84 6.616 -4.883 4.703 1.00 0.00 H new ATOM 0 HA ASP A 84 7.913 -5.916 2.433 1.00 0.00 H new ATOM 0 HB2 ASP A 84 9.882 -5.917 3.809 1.00 0.00 H new ATOM 0 HB3 ASP A 84 8.941 -4.499 4.226 1.00 0.00 H new ATOM 1303 N GLU A 85 6.895 -8.026 4.707 1.00 0.00 N ATOM 1304 CA GLU A 85 6.732 -9.430 5.045 1.00 0.00 C ATOM 1305 C GLU A 85 5.506 -10.008 4.335 1.00 0.00 C ATOM 1306 O GLU A 85 4.463 -10.210 4.955 1.00 0.00 O ATOM 1307 CB GLU A 85 6.629 -9.620 6.560 1.00 0.00 C ATOM 1308 CG GLU A 85 7.087 -11.022 6.968 1.00 0.00 C ATOM 1309 CD GLU A 85 8.576 -11.030 7.324 1.00 0.00 C ATOM 1310 OE1 GLU A 85 9.333 -10.338 6.611 1.00 0.00 O ATOM 1311 OE2 GLU A 85 8.921 -11.729 8.301 1.00 0.00 O ATOM 0 H GLU A 85 6.343 -7.384 5.275 1.00 0.00 H new ATOM 0 HA GLU A 85 7.614 -9.971 4.703 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.239 -8.872 7.066 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.599 -9.462 6.881 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.503 -11.365 7.822 1.00 0.00 H new ATOM 0 HG3 GLU A 85 6.900 -11.721 6.153 1.00 0.00 H new ATOM 1318 N GLU A 86 5.673 -10.259 3.045 1.00 0.00 N ATOM 1319 CA GLU A 86 4.593 -10.811 2.244 1.00 0.00 C ATOM 1320 C GLU A 86 3.851 -11.895 3.028 1.00 0.00 C ATOM 1321 O GLU A 86 2.662 -12.120 2.809 1.00 0.00 O ATOM 1322 CB GLU A 86 5.119 -11.357 0.916 1.00 0.00 C ATOM 1323 CG GLU A 86 6.043 -12.556 1.144 1.00 0.00 C ATOM 1324 CD GLU A 86 7.099 -12.652 0.041 1.00 0.00 C ATOM 1325 OE1 GLU A 86 8.044 -11.835 0.087 1.00 0.00 O ATOM 1326 OE2 GLU A 86 6.937 -13.540 -0.824 1.00 0.00 O ATOM 0 H GLU A 86 6.540 -10.090 2.534 1.00 0.00 H new ATOM 0 HA GLU A 86 3.890 -10.010 2.016 1.00 0.00 H new ATOM 0 HB2 GLU A 86 4.282 -11.653 0.283 1.00 0.00 H new ATOM 0 HB3 GLU A 86 5.659 -10.573 0.384 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.532 -12.463 2.114 1.00 0.00 H new ATOM 0 HG3 GLU A 86 5.455 -13.473 1.170 1.00 0.00 H new ATOM 1333 N LYS A 87 4.584 -12.538 3.925 1.00 0.00 N ATOM 1334 CA LYS A 87 4.011 -13.593 4.743 1.00 0.00 C ATOM 1335 C LYS A 87 2.683 -13.112 5.331 1.00 0.00 C ATOM 1336 O LYS A 87 1.680 -13.822 5.273 1.00 0.00 O ATOM 1337 CB LYS A 87 5.016 -14.061 5.797 1.00 0.00 C ATOM 1338 CG LYS A 87 6.080 -14.968 5.175 1.00 0.00 C ATOM 1339 CD LYS A 87 6.839 -15.742 6.254 1.00 0.00 C ATOM 1340 CE LYS A 87 7.675 -16.866 5.638 1.00 0.00 C ATOM 1341 NZ LYS A 87 7.288 -18.174 6.212 1.00 0.00 N ATOM 0 H LYS A 87 5.570 -12.348 4.103 1.00 0.00 H new ATOM 0 HA LYS A 87 3.792 -14.470 4.134 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.494 -13.197 6.258 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.494 -14.597 6.590 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.608 -15.667 4.485 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.779 -14.368 4.593 1.00 0.00 H new ATOM 0 HD2 LYS A 87 7.488 -15.062 6.806 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.133 -16.160 6.971 1.00 0.00 H new ATOM 0 HE2 LYS A 87 7.535 -16.881 4.557 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.734 -16.681 5.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.865 -18.926 5.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.444 -18.162 7.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.283 -18.355 6.017 1.00 0.00 H new ATOM 1355 N VAL A 88 2.719 -11.909 5.885 1.00 0.00 N ATOM 1356 CA VAL A 88 1.530 -11.324 6.483 1.00 0.00 C ATOM 1357 C VAL A 88 0.488 -11.070 5.392 1.00 0.00 C ATOM 1358 O VAL A 88 0.773 -10.402 4.400 1.00 0.00 O ATOM 1359 CB VAL A 88 1.903 -10.060 7.260 1.00 0.00 C ATOM 1360 CG1 VAL A 88 0.672 -9.443 7.926 1.00 0.00 C ATOM 1361 CG2 VAL A 88 2.996 -10.353 8.291 1.00 0.00 C ATOM 0 H VAL A 88 3.553 -11.323 5.933 1.00 0.00 H new ATOM 0 HA VAL A 88 1.086 -12.012 7.202 1.00 0.00 H new ATOM 0 HB VAL A 88 2.298 -9.334 6.550 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.965 -8.546 8.472 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.061 -9.181 7.163 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.234 -10.162 8.618 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.243 -9.438 8.830 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.639 -11.104 8.996 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.885 -10.726 7.783 1.00 0.00 H new ATOM 1371 N GLU A 89 -0.699 -11.616 5.613 1.00 0.00 N ATOM 1372 CA GLU A 89 -1.785 -11.456 4.662 1.00 0.00 C ATOM 1373 C GLU A 89 -2.934 -10.669 5.295 1.00 0.00 C ATOM 1374 O GLU A 89 -3.300 -10.913 6.444 1.00 0.00 O ATOM 1375 CB GLU A 89 -2.268 -12.814 4.149 1.00 0.00 C ATOM 1376 CG GLU A 89 -3.673 -12.707 3.552 1.00 0.00 C ATOM 1377 CD GLU A 89 -4.143 -14.058 3.009 1.00 0.00 C ATOM 1378 OE1 GLU A 89 -4.132 -15.024 3.802 1.00 0.00 O ATOM 1379 OE2 GLU A 89 -4.502 -14.094 1.812 1.00 0.00 O ATOM 0 H GLU A 89 -0.932 -12.170 6.437 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.413 -10.892 3.807 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.576 -13.189 3.395 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.270 -13.536 4.966 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -4.369 -12.355 4.313 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -3.676 -11.968 2.751 1.00 0.00 H new ATOM 1386 N PHE A 90 -3.471 -9.740 4.518 1.00 0.00 N ATOM 1387 CA PHE A 90 -4.571 -8.916 4.988 1.00 0.00 C ATOM 1388 C PHE A 90 -5.918 -9.589 4.715 1.00 0.00 C ATOM 1389 O PHE A 90 -5.964 -10.743 4.292 1.00 0.00 O ATOM 1390 CB PHE A 90 -4.507 -7.599 4.212 1.00 0.00 C ATOM 1391 CG PHE A 90 -3.086 -7.154 3.858 1.00 0.00 C ATOM 1392 CD1 PHE A 90 -2.385 -6.369 4.719 1.00 0.00 C ATOM 1393 CD2 PHE A 90 -2.525 -7.543 2.682 1.00 0.00 C ATOM 1394 CE1 PHE A 90 -1.067 -5.957 4.391 1.00 0.00 C ATOM 1395 CE2 PHE A 90 -1.207 -7.131 2.353 1.00 0.00 C ATOM 1396 CZ PHE A 90 -0.505 -6.346 3.215 1.00 0.00 C ATOM 0 H PHE A 90 -3.165 -9.540 3.566 1.00 0.00 H new ATOM 0 HA PHE A 90 -4.485 -8.760 6.063 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.084 -7.702 3.293 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -4.985 -6.817 4.803 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -2.831 -6.059 5.652 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.082 -8.166 1.998 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -0.510 -5.334 5.075 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -0.762 -7.440 1.419 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.498 -6.032 2.965 1.00 0.00 H new ATOM 1406 N LYS A 91 -6.981 -8.840 4.969 1.00 0.00 N ATOM 1407 CA LYS A 91 -8.324 -9.350 4.755 1.00 0.00 C ATOM 1408 C LYS A 91 -9.333 -8.218 4.959 1.00 0.00 C ATOM 1409 O LYS A 91 -9.052 -7.251 5.664 1.00 0.00 O ATOM 1410 CB LYS A 91 -8.581 -10.570 5.642 1.00 0.00 C ATOM 1411 CG LYS A 91 -8.297 -11.869 4.884 1.00 0.00 C ATOM 1412 CD LYS A 91 -9.533 -12.770 4.859 1.00 0.00 C ATOM 1413 CE LYS A 91 -9.374 -13.946 5.824 1.00 0.00 C ATOM 1414 NZ LYS A 91 -10.699 -14.442 6.259 1.00 0.00 N ATOM 0 H LYS A 91 -6.939 -7.884 5.321 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.440 -9.700 3.729 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -7.951 -10.518 6.530 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.616 -10.563 5.985 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.989 -11.639 3.864 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.468 -12.396 5.356 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.416 -12.190 5.129 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.694 -13.144 3.848 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -8.819 -14.750 5.339 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.792 -13.636 6.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.573 -15.240 6.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.215 -13.678 6.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.241 -14.757 5.429 1.00 0.00 H new ATOM 1428 N PRO A 92 -10.519 -8.382 4.313 1.00 0.00 N ATOM 1429 CA PRO A 92 -11.571 -7.385 4.417 1.00 0.00 C ATOM 1430 C PRO A 92 -12.264 -7.459 5.779 1.00 0.00 C ATOM 1431 O PRO A 92 -13.482 -7.616 5.852 1.00 0.00 O ATOM 1432 CB PRO A 92 -12.508 -7.681 3.257 1.00 0.00 C ATOM 1433 CG PRO A 92 -12.202 -9.106 2.826 1.00 0.00 C ATOM 1434 CD PRO A 92 -10.887 -9.515 3.470 1.00 0.00 C ATOM 0 HA PRO A 92 -11.192 -6.365 4.356 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -13.550 -7.580 3.561 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -12.347 -6.982 2.437 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -13.003 -9.778 3.133 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -12.131 -9.170 1.740 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -11.000 -10.426 4.058 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -10.123 -9.714 2.718 1.00 0.00 H new ATOM 1442 N GLY A 93 -11.458 -7.343 6.824 1.00 0.00 N ATOM 1443 CA GLY A 93 -11.978 -7.395 8.180 1.00 0.00 C ATOM 1444 C GLY A 93 -10.872 -7.129 9.202 1.00 0.00 C ATOM 1445 O GLY A 93 -10.885 -7.691 10.296 1.00 0.00 O ATOM 0 H GLY A 93 -10.448 -7.213 6.759 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.772 -6.657 8.297 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -12.422 -8.373 8.366 1.00 0.00 H new ATOM 1449 N ASP A 94 -9.941 -6.272 8.810 1.00 0.00 N ATOM 1450 CA ASP A 94 -8.829 -5.924 9.678 1.00 0.00 C ATOM 1451 C ASP A 94 -8.813 -4.410 9.898 1.00 0.00 C ATOM 1452 O ASP A 94 -9.768 -3.718 9.548 1.00 0.00 O ATOM 1453 CB ASP A 94 -7.493 -6.325 9.050 1.00 0.00 C ATOM 1454 CG ASP A 94 -7.450 -7.741 8.471 1.00 0.00 C ATOM 1455 OD1 ASP A 94 -8.492 -8.424 8.565 1.00 0.00 O ATOM 1456 OD2 ASP A 94 -6.376 -8.107 7.947 1.00 0.00 O ATOM 0 H ASP A 94 -9.934 -5.808 7.902 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.958 -6.456 10.620 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.254 -5.617 8.257 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -6.712 -6.233 9.805 1.00 0.00 H new ATOM 1461 N GLN A 95 -7.718 -3.940 10.476 1.00 0.00 N ATOM 1462 CA GLN A 95 -7.564 -2.520 10.746 1.00 0.00 C ATOM 1463 C GLN A 95 -6.106 -2.098 10.554 1.00 0.00 C ATOM 1464 O GLN A 95 -5.199 -2.922 10.658 1.00 0.00 O ATOM 1465 CB GLN A 95 -8.055 -2.174 12.153 1.00 0.00 C ATOM 1466 CG GLN A 95 -9.509 -1.698 12.125 1.00 0.00 C ATOM 1467 CD GLN A 95 -9.796 -0.744 13.286 1.00 0.00 C ATOM 1468 OE1 GLN A 95 -9.033 -0.628 14.231 1.00 0.00 O ATOM 1469 NE2 GLN A 95 -10.937 -0.071 13.164 1.00 0.00 N ATOM 0 H GLN A 95 -6.928 -4.517 10.765 1.00 0.00 H new ATOM 0 HA GLN A 95 -8.178 -1.966 10.036 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -7.967 -3.048 12.798 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -7.422 -1.397 12.582 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -9.713 -1.197 11.179 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -10.178 -2.557 12.182 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -11.530 -0.216 12.347 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -11.219 0.590 13.888 1.00 0.00 H new ATOM 1478 N VAL A 96 -5.927 -0.815 10.278 1.00 0.00 N ATOM 1479 CA VAL A 96 -4.595 -0.273 10.070 1.00 0.00 C ATOM 1480 C VAL A 96 -4.456 1.039 10.846 1.00 0.00 C ATOM 1481 O VAL A 96 -4.892 2.090 10.379 1.00 0.00 O ATOM 1482 CB VAL A 96 -4.321 -0.114 8.573 1.00 0.00 C ATOM 1483 CG1 VAL A 96 -3.109 0.787 8.330 1.00 0.00 C ATOM 1484 CG2 VAL A 96 -4.136 -1.476 7.902 1.00 0.00 C ATOM 0 H VAL A 96 -6.682 -0.135 10.194 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.840 -0.959 10.453 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.190 0.366 8.122 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.936 0.883 7.258 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.296 1.772 8.757 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.229 0.349 8.801 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.943 -1.334 6.839 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.293 -1.995 8.358 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -5.040 -2.071 8.030 1.00 0.00 H new ATOM 1494 N ILE A 97 -3.846 0.935 12.018 1.00 0.00 N ATOM 1495 CA ILE A 97 -3.645 2.099 12.863 1.00 0.00 C ATOM 1496 C ILE A 97 -2.338 2.790 12.468 1.00 0.00 C ATOM 1497 O ILE A 97 -1.259 2.219 12.620 1.00 0.00 O ATOM 1498 CB ILE A 97 -3.711 1.708 14.340 1.00 0.00 C ATOM 1499 CG1 ILE A 97 -5.150 1.402 14.762 1.00 0.00 C ATOM 1500 CG2 ILE A 97 -3.072 2.782 15.222 1.00 0.00 C ATOM 1501 CD1 ILE A 97 -5.814 0.433 13.782 1.00 0.00 C ATOM 0 H ILE A 97 -3.484 0.062 12.402 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.447 2.821 12.713 1.00 0.00 H new ATOM 0 HB ILE A 97 -3.133 0.794 14.477 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -5.156 0.972 15.764 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -5.724 2.328 14.809 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.133 2.478 16.267 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -2.026 2.909 14.941 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -3.601 3.726 15.087 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.836 0.232 14.105 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.829 0.876 12.786 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.252 -0.500 13.756 1.00 0.00 H new ATOM 1513 N CYS A 98 -2.477 4.010 11.969 1.00 0.00 N ATOM 1514 CA CYS A 98 -1.321 4.784 11.552 1.00 0.00 C ATOM 1515 C CYS A 98 -0.934 5.724 12.695 1.00 0.00 C ATOM 1516 O CYS A 98 -1.570 6.758 12.896 1.00 0.00 O ATOM 1517 CB CYS A 98 -1.590 5.547 10.253 1.00 0.00 C ATOM 1518 SG CYS A 98 -0.288 6.804 9.984 1.00 0.00 S ATOM 0 H CYS A 98 -3.373 4.481 11.844 1.00 0.00 H new ATOM 0 HA CYS A 98 -0.489 4.113 11.337 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -1.616 4.853 9.413 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -2.567 6.028 10.300 1.00 0.00 H new ATOM 0 HG CYS A 98 0.537 6.385 9.071 1.00 0.00 H new ATOM 1524 N TYR A 99 0.107 5.331 13.415 1.00 0.00 N ATOM 1525 CA TYR A 99 0.586 6.125 14.533 1.00 0.00 C ATOM 1526 C TYR A 99 2.110 6.051 14.645 1.00 0.00 C ATOM 1527 O TYR A 99 2.757 5.325 13.892 1.00 0.00 O ATOM 1528 CB TYR A 99 -0.036 5.507 15.787 1.00 0.00 C ATOM 1529 CG TYR A 99 0.729 4.298 16.330 1.00 0.00 C ATOM 1530 CD1 TYR A 99 0.823 3.146 15.576 1.00 0.00 C ATOM 1531 CD2 TYR A 99 1.324 4.360 17.573 1.00 0.00 C ATOM 1532 CE1 TYR A 99 1.542 2.008 16.087 1.00 0.00 C ATOM 1533 CE2 TYR A 99 2.044 3.222 18.084 1.00 0.00 C ATOM 1534 CZ TYR A 99 2.117 2.103 17.316 1.00 0.00 C ATOM 1535 OH TYR A 99 2.797 1.028 17.799 1.00 0.00 O ATOM 0 H TYR A 99 0.632 4.473 13.245 1.00 0.00 H new ATOM 0 HA TYR A 99 0.313 7.172 14.404 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -0.092 6.268 16.565 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -1.059 5.206 15.562 1.00 0.00 H new ATOM 0 HD1 TYR A 99 0.357 3.098 14.603 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.250 5.262 18.163 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.623 1.100 15.508 1.00 0.00 H new ATOM 0 HE2 TYR A 99 2.515 3.257 19.055 1.00 0.00 H new ATOM 0 HH TYR A 99 3.155 1.239 18.686 1.00 0.00 H new