USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 TYR OH : rot -149:sc= 1.14 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 173:sc= 1.27 (180deg=1.25) USER MOD Single : A 19 MET CE :methyl 150:sc= 0 (180deg=-0.369) USER MOD Single : A 20 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.635) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.4 X(o=-0.4,f=-0.14) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 30:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc=0.000251 USER MOD Single : A 52 HIS : no HD1:sc= -0.258 X(o=-0.26,f=-0.14) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -177:sc= 1.18 (180deg=1.15) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0893) USER MOD Single : A 82 ASN :FLIP amide:sc= -0.0365 F(o=-1.3!,f=-0.037) USER MOD Single : A 90 ASN : amide:sc= 0.789 K(o=0.79,f=0) USER MOD ----------------------------------------------------------------- ATOM 81 N TYR A 9 -5.341 -6.379 -9.921 1.00 0.00 N ATOM 82 CA TYR A 9 -4.235 -5.430 -9.962 1.00 0.00 C ATOM 83 C TYR A 9 -3.296 -5.821 -11.108 1.00 0.00 C ATOM 84 O TYR A 9 -3.393 -6.932 -11.642 1.00 0.00 O ATOM 85 CB TYR A 9 -3.512 -5.430 -8.608 1.00 0.00 C ATOM 86 CG TYR A 9 -4.432 -5.173 -7.429 1.00 0.00 C ATOM 87 CD1 TYR A 9 -4.861 -3.860 -7.152 1.00 0.00 C ATOM 88 CD2 TYR A 9 -4.881 -6.242 -6.625 1.00 0.00 C ATOM 89 CE1 TYR A 9 -5.750 -3.616 -6.093 1.00 0.00 C ATOM 90 CE2 TYR A 9 -5.777 -6.005 -5.565 1.00 0.00 C ATOM 91 CZ TYR A 9 -6.217 -4.687 -5.303 1.00 0.00 C ATOM 92 OH TYR A 9 -7.135 -4.441 -4.334 1.00 0.00 O ATOM 0 HA TYR A 9 -4.598 -4.418 -10.143 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.017 -6.391 -8.470 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.732 -4.669 -8.622 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.505 -3.039 -7.756 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.536 -7.246 -6.823 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.076 -2.608 -5.883 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.126 -6.825 -4.955 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.008 -5.073 -3.595 1.00 0.00 H new ATOM 102 N LYS A 10 -2.335 -4.966 -11.457 1.00 0.00 N ATOM 103 CA LYS A 10 -1.262 -5.237 -12.416 1.00 0.00 C ATOM 104 C LYS A 10 0.049 -4.695 -11.852 1.00 0.00 C ATOM 105 O LYS A 10 0.017 -4.012 -10.830 1.00 0.00 O ATOM 106 CB LYS A 10 -1.611 -4.636 -13.787 1.00 0.00 C ATOM 107 CG LYS A 10 -2.857 -5.332 -14.357 1.00 0.00 C ATOM 108 CD LYS A 10 -2.945 -5.214 -15.877 1.00 0.00 C ATOM 109 CE LYS A 10 -4.020 -6.174 -16.397 1.00 0.00 C ATOM 110 NZ LYS A 10 -4.224 -6.057 -17.855 1.00 0.00 N ATOM 0 H LYS A 10 -2.280 -4.027 -11.064 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.146 -6.310 -12.569 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.793 -3.566 -13.690 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.771 -4.755 -14.471 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.841 -6.385 -14.077 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.750 -4.896 -13.909 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.188 -4.190 -16.160 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.981 -5.450 -16.328 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.737 -7.198 -16.154 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.961 -5.973 -15.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.960 -6.726 -18.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.521 -5.088 -18.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.335 -6.274 -18.349 1.00 0.00 H new ATOM 124 N ALA A 11 1.188 -5.014 -12.470 1.00 0.00 N ATOM 125 CA ALA A 11 2.484 -4.613 -11.936 1.00 0.00 C ATOM 126 C ALA A 11 2.573 -3.090 -11.807 1.00 0.00 C ATOM 127 O ALA A 11 2.057 -2.340 -12.643 1.00 0.00 O ATOM 128 CB ALA A 11 3.617 -5.159 -12.798 1.00 0.00 C ATOM 0 H ALA A 11 1.236 -5.547 -13.338 1.00 0.00 H new ATOM 0 HA ALA A 11 2.587 -5.039 -10.938 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.574 -4.847 -12.381 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.567 -6.248 -12.818 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.521 -4.773 -13.813 1.00 0.00 H new ATOM 134 N GLY A 12 3.251 -2.634 -10.757 1.00 0.00 N ATOM 135 CA GLY A 12 3.395 -1.232 -10.410 1.00 0.00 C ATOM 136 C GLY A 12 2.107 -0.604 -9.885 1.00 0.00 C ATOM 137 O GLY A 12 2.086 0.609 -9.687 1.00 0.00 O ATOM 0 H GLY A 12 3.730 -3.256 -10.105 1.00 0.00 H new ATOM 0 HA2 GLY A 12 4.175 -1.130 -9.655 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.728 -0.680 -11.289 1.00 0.00 H new ATOM 141 N ASP A 13 1.021 -1.365 -9.670 1.00 0.00 N ATOM 142 CA ASP A 13 -0.091 -0.812 -8.901 1.00 0.00 C ATOM 143 C ASP A 13 0.344 -0.699 -7.449 1.00 0.00 C ATOM 144 O ASP A 13 1.037 -1.577 -6.919 1.00 0.00 O ATOM 145 CB ASP A 13 -1.401 -1.616 -9.004 1.00 0.00 C ATOM 146 CG ASP A 13 -2.547 -0.654 -9.300 1.00 0.00 C ATOM 147 OD1 ASP A 13 -2.506 -0.009 -10.374 1.00 0.00 O ATOM 148 OD2 ASP A 13 -3.463 -0.505 -8.462 1.00 0.00 O ATOM 0 H ASP A 13 0.896 -2.321 -10.003 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.324 0.163 -9.328 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.323 -2.364 -9.793 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.589 -2.152 -8.074 1.00 0.00 H new ATOM 153 N LEU A 14 -0.066 0.386 -6.804 1.00 0.00 N ATOM 154 CA LEU A 14 0.124 0.565 -5.380 1.00 0.00 C ATOM 155 C LEU A 14 -1.070 -0.042 -4.674 1.00 0.00 C ATOM 156 O LEU A 14 -2.210 0.193 -5.086 1.00 0.00 O ATOM 157 CB LEU A 14 0.254 2.058 -5.068 1.00 0.00 C ATOM 158 CG LEU A 14 1.515 2.701 -5.671 1.00 0.00 C ATOM 159 CD1 LEU A 14 1.616 4.138 -5.156 1.00 0.00 C ATOM 160 CD2 LEU A 14 2.780 1.908 -5.328 1.00 0.00 C ATOM 0 H LEU A 14 -0.540 1.166 -7.260 1.00 0.00 H new ATOM 0 HA LEU A 14 1.035 0.073 -5.038 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.626 2.578 -5.446 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.266 2.196 -3.987 1.00 0.00 H new ATOM 0 HG LEU A 14 1.433 2.697 -6.758 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.505 4.612 -5.572 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.731 4.696 -5.460 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.685 4.131 -4.068 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.647 2.396 -5.773 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.902 1.868 -4.246 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.692 0.895 -5.721 1.00 0.00 H new ATOM 172 N VAL A 15 -0.826 -0.784 -3.592 1.00 0.00 N ATOM 173 CA VAL A 15 -1.871 -1.454 -2.822 1.00 0.00 C ATOM 174 C VAL A 15 -1.499 -1.449 -1.342 1.00 0.00 C ATOM 175 O VAL A 15 -0.322 -1.291 -1.010 1.00 0.00 O ATOM 176 CB VAL A 15 -2.092 -2.885 -3.366 1.00 0.00 C ATOM 177 CG1 VAL A 15 -2.511 -2.834 -4.839 1.00 0.00 C ATOM 178 CG2 VAL A 15 -0.863 -3.804 -3.242 1.00 0.00 C ATOM 0 H VAL A 15 0.113 -0.937 -3.224 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.815 -0.919 -2.927 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.878 -3.311 -2.743 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.663 -3.848 -5.209 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.439 -2.270 -4.934 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.729 -2.348 -5.423 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.102 -4.788 -3.646 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.030 -3.375 -3.800 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.585 -3.901 -2.192 1.00 0.00 H new ATOM 188 N PHE A 16 -2.456 -1.682 -0.446 1.00 0.00 N ATOM 189 CA PHE A 16 -2.163 -2.014 0.944 1.00 0.00 C ATOM 190 C PHE A 16 -2.360 -3.512 1.046 1.00 0.00 C ATOM 191 O PHE A 16 -3.400 -4.020 0.626 1.00 0.00 O ATOM 192 CB PHE A 16 -3.084 -1.300 1.942 1.00 0.00 C ATOM 193 CG PHE A 16 -2.874 0.196 2.006 1.00 0.00 C ATOM 194 CD1 PHE A 16 -1.903 0.737 2.871 1.00 0.00 C ATOM 195 CD2 PHE A 16 -3.621 1.044 1.169 1.00 0.00 C ATOM 196 CE1 PHE A 16 -1.670 2.122 2.883 1.00 0.00 C ATOM 197 CE2 PHE A 16 -3.397 2.431 1.195 1.00 0.00 C ATOM 198 CZ PHE A 16 -2.414 2.968 2.044 1.00 0.00 C ATOM 0 H PHE A 16 -3.452 -1.646 -0.663 1.00 0.00 H new ATOM 0 HA PHE A 16 -1.153 -1.693 1.199 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.121 -1.500 1.672 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.925 -1.722 2.934 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.339 0.088 3.524 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.366 0.629 0.507 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.918 2.537 3.538 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.980 3.084 0.563 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.230 4.032 2.051 1.00 0.00 H new ATOM 208 N ALA A 17 -1.349 -4.208 1.546 1.00 0.00 N ATOM 209 CA ALA A 17 -1.416 -5.624 1.840 1.00 0.00 C ATOM 210 C ALA A 17 -1.751 -5.823 3.317 1.00 0.00 C ATOM 211 O ALA A 17 -1.676 -4.881 4.117 1.00 0.00 O ATOM 212 CB ALA A 17 -0.074 -6.258 1.463 1.00 0.00 C ATOM 0 H ALA A 17 -0.443 -3.792 1.761 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.202 -6.109 1.261 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.103 -7.326 1.677 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.115 -6.106 0.400 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.724 -5.794 2.043 1.00 0.00 H new ATOM 218 N LYS A 18 -2.074 -7.061 3.692 1.00 0.00 N ATOM 219 CA LYS A 18 -2.282 -7.451 5.078 1.00 0.00 C ATOM 220 C LYS A 18 -1.537 -8.750 5.360 1.00 0.00 C ATOM 221 O LYS A 18 -1.408 -9.599 4.476 1.00 0.00 O ATOM 222 CB LYS A 18 -3.792 -7.588 5.345 1.00 0.00 C ATOM 223 CG LYS A 18 -4.154 -7.423 6.830 1.00 0.00 C ATOM 224 CD LYS A 18 -3.983 -5.968 7.304 1.00 0.00 C ATOM 225 CE LYS A 18 -4.724 -5.702 8.614 1.00 0.00 C ATOM 226 NZ LYS A 18 -4.175 -6.494 9.730 1.00 0.00 N ATOM 0 H LYS A 18 -2.199 -7.827 3.030 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.887 -6.689 5.750 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.329 -6.841 4.760 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.130 -8.565 5.000 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.185 -7.738 6.990 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.524 -8.078 7.432 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.923 -5.752 7.437 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.352 -5.290 6.534 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.661 -4.641 8.857 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.781 -5.938 8.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.625 -6.198 10.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.364 -7.503 9.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.148 -6.340 9.793 1.00 0.00 H new ATOM 240 N MET A 19 -1.101 -8.936 6.602 1.00 0.00 N ATOM 241 CA MET A 19 -0.552 -10.171 7.143 1.00 0.00 C ATOM 242 C MET A 19 -1.206 -10.471 8.495 1.00 0.00 C ATOM 243 O MET A 19 -2.001 -9.676 9.015 1.00 0.00 O ATOM 244 CB MET A 19 0.976 -10.070 7.246 1.00 0.00 C ATOM 245 CG MET A 19 1.673 -10.274 5.904 1.00 0.00 C ATOM 246 SD MET A 19 3.432 -10.660 6.089 1.00 0.00 S ATOM 247 CE MET A 19 4.121 -9.026 6.413 1.00 0.00 C ATOM 0 H MET A 19 -1.123 -8.187 7.294 1.00 0.00 H new ATOM 0 HA MET A 19 -0.774 -11.002 6.474 1.00 0.00 H new ATOM 0 HB2 MET A 19 1.245 -9.092 7.645 1.00 0.00 H new ATOM 0 HB3 MET A 19 1.338 -10.814 7.955 1.00 0.00 H new ATOM 0 HG2 MET A 19 1.182 -11.082 5.362 1.00 0.00 H new ATOM 0 HG3 MET A 19 1.563 -9.373 5.300 1.00 0.00 H new ATOM 0 HE1 MET A 19 5.005 -9.122 7.043 1.00 0.00 H new ATOM 0 HE2 MET A 19 4.397 -8.554 5.470 1.00 0.00 H new ATOM 0 HE3 MET A 19 3.378 -8.412 6.922 1.00 0.00 H new ATOM 257 N LYS A 20 -0.923 -11.646 9.063 1.00 0.00 N ATOM 258 CA LYS A 20 -1.562 -12.174 10.264 1.00 0.00 C ATOM 259 C LYS A 20 -0.935 -11.543 11.511 1.00 0.00 C ATOM 260 O LYS A 20 -0.238 -12.214 12.280 1.00 0.00 O ATOM 261 CB LYS A 20 -1.491 -13.713 10.220 1.00 0.00 C ATOM 262 CG LYS A 20 -2.363 -14.379 11.295 1.00 0.00 C ATOM 263 CD LYS A 20 -2.268 -15.912 11.296 1.00 0.00 C ATOM 264 CE LYS A 20 -3.076 -16.621 10.199 1.00 0.00 C ATOM 265 NZ LYS A 20 -2.391 -16.723 8.892 1.00 0.00 N ATOM 0 H LYS A 20 -0.217 -12.276 8.683 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.618 -11.908 10.308 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.807 -14.059 9.236 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.456 -14.029 10.351 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.068 -14.004 12.275 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.402 -14.087 11.141 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.220 -16.195 11.193 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.603 -16.280 12.266 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.325 -17.625 10.542 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.017 -16.089 10.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.747 -17.553 8.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.576 -15.864 8.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.367 -16.823 9.044 1.00 0.00 H new ATOM 279 N GLY A 21 -1.218 -10.260 11.732 1.00 0.00 N ATOM 280 CA GLY A 21 -0.885 -9.518 12.941 1.00 0.00 C ATOM 281 C GLY A 21 -0.474 -8.087 12.616 1.00 0.00 C ATOM 282 O GLY A 21 -0.887 -7.146 13.299 1.00 0.00 O ATOM 0 H GLY A 21 -1.706 -9.688 11.043 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.743 -9.509 13.613 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.074 -10.021 13.467 1.00 0.00 H new ATOM 286 N TYR A 22 0.313 -7.922 11.551 1.00 0.00 N ATOM 287 CA TYR A 22 0.765 -6.632 11.052 1.00 0.00 C ATOM 288 C TYR A 22 -0.432 -5.749 10.642 1.00 0.00 C ATOM 289 O TYR A 22 -1.475 -6.258 10.224 1.00 0.00 O ATOM 290 CB TYR A 22 1.671 -6.865 9.836 1.00 0.00 C ATOM 291 CG TYR A 22 3.020 -7.516 10.093 1.00 0.00 C ATOM 292 CD1 TYR A 22 4.136 -6.705 10.365 1.00 0.00 C ATOM 293 CD2 TYR A 22 3.184 -8.912 9.988 1.00 0.00 C ATOM 294 CE1 TYR A 22 5.400 -7.282 10.585 1.00 0.00 C ATOM 295 CE2 TYR A 22 4.452 -9.494 10.169 1.00 0.00 C ATOM 296 CZ TYR A 22 5.563 -8.682 10.484 1.00 0.00 C ATOM 297 OH TYR A 22 6.783 -9.236 10.732 1.00 0.00 O ATOM 0 H TYR A 22 0.660 -8.707 11.000 1.00 0.00 H new ATOM 0 HA TYR A 22 1.312 -6.117 11.842 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.127 -7.484 9.122 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.846 -5.903 9.355 1.00 0.00 H new ATOM 0 HD1 TYR A 22 4.022 -5.632 10.405 1.00 0.00 H new ATOM 0 HD2 TYR A 22 2.332 -9.538 9.767 1.00 0.00 H new ATOM 0 HE1 TYR A 22 6.245 -6.656 10.831 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.575 -10.562 10.067 1.00 0.00 H new ATOM 0 HH TYR A 22 6.729 -10.208 10.622 1.00 0.00 H new ATOM 307 N PRO A 23 -0.286 -4.417 10.743 1.00 0.00 N ATOM 308 CA PRO A 23 -1.263 -3.438 10.271 1.00 0.00 C ATOM 309 C PRO A 23 -1.348 -3.428 8.736 1.00 0.00 C ATOM 310 O PRO A 23 -0.451 -3.963 8.085 1.00 0.00 O ATOM 311 CB PRO A 23 -0.779 -2.097 10.845 1.00 0.00 C ATOM 312 CG PRO A 23 0.726 -2.294 11.053 1.00 0.00 C ATOM 313 CD PRO A 23 0.864 -3.770 11.344 1.00 0.00 C ATOM 0 HA PRO A 23 -2.277 -3.666 10.601 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -0.981 -1.275 10.159 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -1.282 -1.861 11.783 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.292 -2.007 10.167 1.00 0.00 H new ATOM 0 HG3 PRO A 23 1.098 -1.688 11.879 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.792 -4.162 10.927 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.895 -3.953 12.418 1.00 0.00 H new ATOM 321 N HIS A 24 -2.393 -2.811 8.156 1.00 0.00 N ATOM 322 CA HIS A 24 -2.499 -2.628 6.701 1.00 0.00 C ATOM 323 C HIS A 24 -1.236 -1.903 6.221 1.00 0.00 C ATOM 324 O HIS A 24 -0.957 -0.783 6.662 1.00 0.00 O ATOM 325 CB HIS A 24 -3.755 -1.835 6.282 1.00 0.00 C ATOM 326 CG HIS A 24 -5.061 -2.227 6.932 1.00 0.00 C ATOM 327 ND1 HIS A 24 -5.612 -1.623 8.039 1.00 0.00 N ATOM 328 CD2 HIS A 24 -5.973 -3.146 6.474 1.00 0.00 C ATOM 329 CE1 HIS A 24 -6.803 -2.189 8.262 1.00 0.00 C ATOM 330 NE2 HIS A 24 -7.070 -3.136 7.351 1.00 0.00 N ATOM 0 H HIS A 24 -3.181 -2.429 8.679 1.00 0.00 H new ATOM 0 HA HIS A 24 -2.592 -3.611 6.239 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -3.575 -0.780 6.491 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -3.872 -1.930 5.202 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -5.866 -3.766 5.596 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -7.465 -1.918 9.072 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -7.900 -3.728 7.304 1.00 0.00 H new ATOM 338 N TRP A 25 -0.433 -2.552 5.381 1.00 0.00 N ATOM 339 CA TRP A 25 0.956 -2.178 5.138 1.00 0.00 C ATOM 340 C TRP A 25 1.103 -1.808 3.663 1.00 0.00 C ATOM 341 O TRP A 25 0.581 -2.543 2.822 1.00 0.00 O ATOM 342 CB TRP A 25 1.853 -3.360 5.521 1.00 0.00 C ATOM 343 CG TRP A 25 3.259 -3.034 5.918 1.00 0.00 C ATOM 344 CD1 TRP A 25 4.237 -2.633 5.077 1.00 0.00 C ATOM 345 CD2 TRP A 25 3.864 -3.058 7.251 1.00 0.00 C ATOM 346 NE1 TRP A 25 5.406 -2.483 5.786 1.00 0.00 N ATOM 347 CE2 TRP A 25 5.238 -2.706 7.132 1.00 0.00 C ATOM 348 CE3 TRP A 25 3.384 -3.305 8.559 1.00 0.00 C ATOM 349 CZ2 TRP A 25 6.101 -2.623 8.235 1.00 0.00 C ATOM 350 CZ3 TRP A 25 4.227 -3.164 9.684 1.00 0.00 C ATOM 351 CH2 TRP A 25 5.587 -2.844 9.525 1.00 0.00 C ATOM 0 H TRP A 25 -0.734 -3.364 4.843 1.00 0.00 H new ATOM 0 HA TRP A 25 1.252 -1.318 5.739 1.00 0.00 H new ATOM 0 HB2 TRP A 25 1.381 -3.892 6.347 1.00 0.00 H new ATOM 0 HB3 TRP A 25 1.888 -4.048 4.677 1.00 0.00 H new ATOM 0 HD1 TRP A 25 4.120 -2.458 4.018 1.00 0.00 H new ATOM 0 HE1 TRP A 25 6.299 -2.234 5.360 1.00 0.00 H new ATOM 0 HE3 TRP A 25 2.356 -3.606 8.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.147 -2.392 8.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 3.823 -3.303 10.676 1.00 0.00 H new ATOM 0 HH2 TRP A 25 6.232 -2.768 10.388 1.00 0.00 H new ATOM 362 N PRO A 26 1.737 -0.676 3.324 1.00 0.00 N ATOM 363 CA PRO A 26 1.847 -0.241 1.945 1.00 0.00 C ATOM 364 C PRO A 26 2.777 -1.165 1.158 1.00 0.00 C ATOM 365 O PRO A 26 3.835 -1.573 1.635 1.00 0.00 O ATOM 366 CB PRO A 26 2.353 1.199 1.998 1.00 0.00 C ATOM 367 CG PRO A 26 3.079 1.292 3.332 1.00 0.00 C ATOM 368 CD PRO A 26 2.352 0.285 4.218 1.00 0.00 C ATOM 0 HA PRO A 26 0.891 -0.284 1.424 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.021 1.417 1.165 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.531 1.912 1.942 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.136 1.044 3.230 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.026 2.299 3.746 1.00 0.00 H new ATOM 0 HD2 PRO A 26 3.047 -0.207 4.898 1.00 0.00 H new ATOM 0 HD3 PRO A 26 1.600 0.780 4.833 1.00 0.00 H new ATOM 376 N ALA A 27 2.362 -1.495 -0.063 1.00 0.00 N ATOM 377 CA ALA A 27 3.013 -2.460 -0.920 1.00 0.00 C ATOM 378 C ALA A 27 2.883 -2.039 -2.387 1.00 0.00 C ATOM 379 O ALA A 27 2.087 -1.163 -2.741 1.00 0.00 O ATOM 380 CB ALA A 27 2.370 -3.828 -0.660 1.00 0.00 C ATOM 0 H ALA A 27 1.534 -1.079 -0.490 1.00 0.00 H new ATOM 0 HA ALA A 27 4.079 -2.516 -0.702 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.842 -4.578 -1.294 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.505 -4.101 0.387 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.305 -3.779 -0.887 1.00 0.00 H new ATOM 386 N ARG A 28 3.656 -2.695 -3.250 1.00 0.00 N ATOM 387 CA ARG A 28 3.654 -2.530 -4.701 1.00 0.00 C ATOM 388 C ARG A 28 3.433 -3.921 -5.284 1.00 0.00 C ATOM 389 O ARG A 28 4.004 -4.892 -4.772 1.00 0.00 O ATOM 390 CB ARG A 28 4.971 -1.829 -5.144 1.00 0.00 C ATOM 391 CG ARG A 28 5.907 -2.597 -6.093 1.00 0.00 C ATOM 392 CD ARG A 28 7.279 -1.924 -6.267 1.00 0.00 C ATOM 393 NE ARG A 28 8.231 -2.820 -6.950 1.00 0.00 N ATOM 394 CZ ARG A 28 9.424 -2.507 -7.476 1.00 0.00 C ATOM 395 NH1 ARG A 28 9.945 -1.290 -7.366 1.00 0.00 N ATOM 396 NH2 ARG A 28 10.084 -3.447 -8.132 1.00 0.00 N ATOM 0 H ARG A 28 4.334 -3.391 -2.940 1.00 0.00 H new ATOM 0 HA ARG A 28 2.860 -1.880 -5.070 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.704 -0.888 -5.625 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.536 -1.579 -4.246 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.051 -3.608 -5.711 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.429 -2.690 -7.068 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.165 -1.004 -6.841 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.676 -1.644 -5.291 1.00 0.00 H new ATOM 0 HE ARG A 28 7.947 -3.796 -7.032 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.435 -0.560 -6.869 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.855 -1.086 -7.778 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.683 -4.380 -8.227 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.994 -3.239 -8.543 1.00 0.00 H new ATOM 410 N ILE A 29 2.620 -4.025 -6.337 1.00 0.00 N ATOM 411 CA ILE A 29 2.629 -5.219 -7.171 1.00 0.00 C ATOM 412 C ILE A 29 3.975 -5.191 -7.887 1.00 0.00 C ATOM 413 O ILE A 29 4.240 -4.282 -8.678 1.00 0.00 O ATOM 414 CB ILE A 29 1.477 -5.244 -8.191 1.00 0.00 C ATOM 415 CG1 ILE A 29 0.081 -4.903 -7.640 1.00 0.00 C ATOM 416 CG2 ILE A 29 1.458 -6.607 -8.904 1.00 0.00 C ATOM 417 CD1 ILE A 29 -0.442 -5.783 -6.506 1.00 0.00 C ATOM 0 H ILE A 29 1.957 -3.306 -6.626 1.00 0.00 H new ATOM 0 HA ILE A 29 2.490 -6.113 -6.562 1.00 0.00 H new ATOM 0 HB ILE A 29 1.691 -4.434 -8.888 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.096 -3.871 -7.291 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.631 -4.951 -8.464 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.643 -6.628 -9.627 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.405 -6.761 -9.420 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.312 -7.400 -8.170 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.433 -5.441 -6.207 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.502 -6.817 -6.846 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.236 -5.720 -5.655 1.00 0.00 H new ATOM 429 N ASP A 30 4.844 -6.133 -7.561 1.00 0.00 N ATOM 430 CA ASP A 30 6.155 -6.237 -8.175 1.00 0.00 C ATOM 431 C ASP A 30 6.039 -6.780 -9.607 1.00 0.00 C ATOM 432 O ASP A 30 4.966 -7.216 -10.040 1.00 0.00 O ATOM 433 CB ASP A 30 7.027 -7.105 -7.272 1.00 0.00 C ATOM 434 CG ASP A 30 8.487 -7.025 -7.677 1.00 0.00 C ATOM 435 OD1 ASP A 30 9.057 -5.918 -7.603 1.00 0.00 O ATOM 436 OD2 ASP A 30 9.068 -8.054 -8.086 1.00 0.00 O ATOM 0 H ASP A 30 4.658 -6.850 -6.860 1.00 0.00 H new ATOM 0 HA ASP A 30 6.624 -5.258 -8.270 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.916 -6.783 -6.237 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.689 -8.140 -7.322 1.00 0.00 H new ATOM 441 N GLU A 31 7.135 -6.759 -10.360 1.00 0.00 N ATOM 442 CA GLU A 31 7.164 -7.078 -11.779 1.00 0.00 C ATOM 443 C GLU A 31 8.125 -8.226 -12.065 1.00 0.00 C ATOM 444 O GLU A 31 9.075 -8.499 -11.318 1.00 0.00 O ATOM 445 CB GLU A 31 7.487 -5.840 -12.620 1.00 0.00 C ATOM 446 CG GLU A 31 8.719 -5.066 -12.155 1.00 0.00 C ATOM 447 CD GLU A 31 9.187 -4.074 -13.217 1.00 0.00 C ATOM 448 OE1 GLU A 31 8.342 -3.406 -13.855 1.00 0.00 O ATOM 449 OE2 GLU A 31 10.426 -3.969 -13.409 1.00 0.00 O ATOM 0 H GLU A 31 8.052 -6.512 -9.987 1.00 0.00 H new ATOM 0 HA GLU A 31 6.167 -7.411 -12.068 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.635 -6.147 -13.655 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.626 -5.171 -12.606 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.489 -4.532 -11.233 1.00 0.00 H new ATOM 0 HG3 GLU A 31 9.524 -5.764 -11.927 1.00 0.00 H new ATOM 597 N ASN A 42 -3.756 -17.061 -8.716 1.00 0.00 N ATOM 598 CA ASN A 42 -4.544 -16.144 -7.893 1.00 0.00 C ATOM 599 C ASN A 42 -3.742 -15.515 -6.743 1.00 0.00 C ATOM 600 O ASN A 42 -4.300 -15.133 -5.709 1.00 0.00 O ATOM 601 CB ASN A 42 -5.867 -16.797 -7.453 1.00 0.00 C ATOM 602 CG ASN A 42 -7.031 -16.048 -8.064 1.00 0.00 C ATOM 603 OD1 ASN A 42 -7.720 -15.297 -7.383 1.00 0.00 O ATOM 604 ND2 ASN A 42 -7.245 -16.208 -9.357 1.00 0.00 N ATOM 0 HA ASN A 42 -4.811 -15.292 -8.519 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.890 -17.841 -7.764 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -5.945 -16.787 -6.366 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.001 -15.699 -9.816 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.654 -16.840 -9.897 1.00 0.00 H new ATOM 611 N LYS A 43 -2.424 -15.385 -6.910 1.00 0.00 N ATOM 612 CA LYS A 43 -1.580 -14.505 -6.119 1.00 0.00 C ATOM 613 C LYS A 43 -0.767 -13.642 -7.075 1.00 0.00 C ATOM 614 O LYS A 43 -0.667 -13.923 -8.273 1.00 0.00 O ATOM 615 CB LYS A 43 -0.662 -15.283 -5.161 1.00 0.00 C ATOM 616 CG LYS A 43 -1.399 -16.284 -4.257 1.00 0.00 C ATOM 617 CD LYS A 43 -0.513 -16.749 -3.092 1.00 0.00 C ATOM 618 CE LYS A 43 -1.037 -18.024 -2.411 1.00 0.00 C ATOM 619 NZ LYS A 43 -0.594 -19.287 -3.048 1.00 0.00 N ATOM 0 H LYS A 43 -1.907 -15.905 -7.619 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.212 -13.879 -5.488 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.084 -15.820 -5.747 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.124 -14.572 -4.534 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.305 -15.823 -3.865 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.710 -17.147 -4.846 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.497 -16.929 -3.460 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.445 -15.951 -2.353 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.714 -18.024 -1.370 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.127 -17.997 -2.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.991 -20.096 -2.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.924 -19.313 -4.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.445 -19.339 -3.030 1.00 0.00 H new ATOM 633 N TYR A 44 -0.158 -12.607 -6.518 1.00 0.00 N ATOM 634 CA TYR A 44 0.716 -11.659 -7.184 1.00 0.00 C ATOM 635 C TYR A 44 1.991 -11.555 -6.351 1.00 0.00 C ATOM 636 O TYR A 44 1.931 -11.803 -5.146 1.00 0.00 O ATOM 637 CB TYR A 44 0.059 -10.278 -7.242 1.00 0.00 C ATOM 638 CG TYR A 44 -1.409 -10.256 -7.597 1.00 0.00 C ATOM 639 CD1 TYR A 44 -1.810 -10.318 -8.938 1.00 0.00 C ATOM 640 CD2 TYR A 44 -2.366 -10.174 -6.575 1.00 0.00 C ATOM 641 CE1 TYR A 44 -3.171 -10.165 -9.272 1.00 0.00 C ATOM 642 CE2 TYR A 44 -3.724 -10.044 -6.895 1.00 0.00 C ATOM 643 CZ TYR A 44 -4.133 -9.999 -8.246 1.00 0.00 C ATOM 644 OH TYR A 44 -5.454 -9.849 -8.530 1.00 0.00 O ATOM 0 H TYR A 44 -0.269 -12.395 -5.526 1.00 0.00 H new ATOM 0 HA TYR A 44 0.923 -11.993 -8.201 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.185 -9.797 -6.272 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.598 -9.672 -7.971 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.078 -10.483 -9.715 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.056 -10.211 -5.541 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.479 -10.174 -10.307 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.459 -9.978 -6.107 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.666 -10.326 -9.359 1.00 0.00 H new ATOM 654 N PRO A 45 3.142 -11.210 -6.941 1.00 0.00 N ATOM 655 CA PRO A 45 4.333 -10.850 -6.180 1.00 0.00 C ATOM 656 C PRO A 45 4.099 -9.491 -5.501 1.00 0.00 C ATOM 657 O PRO A 45 3.894 -8.481 -6.174 1.00 0.00 O ATOM 658 CB PRO A 45 5.453 -10.825 -7.222 1.00 0.00 C ATOM 659 CG PRO A 45 4.732 -10.340 -8.483 1.00 0.00 C ATOM 660 CD PRO A 45 3.353 -10.998 -8.368 1.00 0.00 C ATOM 0 HA PRO A 45 4.583 -11.541 -5.375 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.260 -10.151 -6.933 1.00 0.00 H new ATOM 0 HB3 PRO A 45 5.896 -11.811 -7.363 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.659 -9.253 -8.513 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.252 -10.650 -9.389 1.00 0.00 H new ATOM 0 HD2 PRO A 45 2.577 -10.359 -8.789 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.321 -11.941 -8.914 1.00 0.00 H new ATOM 668 N ILE A 46 4.076 -9.455 -4.171 1.00 0.00 N ATOM 669 CA ILE A 46 3.846 -8.244 -3.390 1.00 0.00 C ATOM 670 C ILE A 46 5.167 -7.879 -2.720 1.00 0.00 C ATOM 671 O ILE A 46 5.661 -8.618 -1.863 1.00 0.00 O ATOM 672 CB ILE A 46 2.699 -8.483 -2.387 1.00 0.00 C ATOM 673 CG1 ILE A 46 1.386 -8.938 -3.060 1.00 0.00 C ATOM 674 CG2 ILE A 46 2.431 -7.302 -1.451 1.00 0.00 C ATOM 675 CD1 ILE A 46 0.815 -7.956 -4.091 1.00 0.00 C ATOM 0 H ILE A 46 4.220 -10.284 -3.595 1.00 0.00 H new ATOM 0 HA ILE A 46 3.532 -7.406 -4.013 1.00 0.00 H new ATOM 0 HB ILE A 46 3.065 -9.304 -1.770 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.559 -9.896 -3.550 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.637 -9.106 -2.286 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.611 -7.550 -0.778 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.327 -7.089 -0.868 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.164 -6.424 -2.040 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.106 -8.362 -4.509 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.605 -7.002 -3.607 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.540 -7.805 -4.890 1.00 0.00 H new ATOM 687 N PHE A 47 5.741 -6.750 -3.127 1.00 0.00 N ATOM 688 CA PHE A 47 6.854 -6.098 -2.449 1.00 0.00 C ATOM 689 C PHE A 47 6.272 -5.199 -1.361 1.00 0.00 C ATOM 690 O PHE A 47 5.344 -4.440 -1.647 1.00 0.00 O ATOM 691 CB PHE A 47 7.603 -5.246 -3.481 1.00 0.00 C ATOM 692 CG PHE A 47 8.693 -4.372 -2.901 1.00 0.00 C ATOM 693 CD1 PHE A 47 9.932 -4.944 -2.569 1.00 0.00 C ATOM 694 CD2 PHE A 47 8.492 -2.989 -2.726 1.00 0.00 C ATOM 695 CE1 PHE A 47 10.973 -4.141 -2.083 1.00 0.00 C ATOM 696 CE2 PHE A 47 9.540 -2.185 -2.246 1.00 0.00 C ATOM 697 CZ PHE A 47 10.780 -2.759 -1.923 1.00 0.00 C ATOM 0 H PHE A 47 5.435 -6.250 -3.962 1.00 0.00 H new ATOM 0 HA PHE A 47 7.537 -6.823 -2.006 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.043 -5.907 -4.228 1.00 0.00 H new ATOM 0 HB3 PHE A 47 6.884 -4.612 -4.000 1.00 0.00 H new ATOM 0 HD1 PHE A 47 10.083 -6.007 -2.689 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.535 -2.547 -2.960 1.00 0.00 H new ATOM 0 HE1 PHE A 47 11.925 -4.585 -1.831 1.00 0.00 H new ATOM 0 HE2 PHE A 47 9.391 -1.122 -2.125 1.00 0.00 H new ATOM 0 HZ PHE A 47 11.583 -2.139 -1.552 1.00 0.00 H new ATOM 707 N PHE A 48 6.794 -5.270 -0.138 1.00 0.00 N ATOM 708 CA PHE A 48 6.417 -4.370 0.943 1.00 0.00 C ATOM 709 C PHE A 48 7.476 -3.266 1.033 1.00 0.00 C ATOM 710 O PHE A 48 8.641 -3.549 1.334 1.00 0.00 O ATOM 711 CB PHE A 48 6.295 -5.129 2.269 1.00 0.00 C ATOM 712 CG PHE A 48 5.291 -6.267 2.323 1.00 0.00 C ATOM 713 CD1 PHE A 48 3.970 -6.029 2.749 1.00 0.00 C ATOM 714 CD2 PHE A 48 5.704 -7.584 2.050 1.00 0.00 C ATOM 715 CE1 PHE A 48 3.093 -7.109 2.955 1.00 0.00 C ATOM 716 CE2 PHE A 48 4.817 -8.658 2.225 1.00 0.00 C ATOM 717 CZ PHE A 48 3.514 -8.423 2.696 1.00 0.00 C ATOM 0 H PHE A 48 7.496 -5.960 0.130 1.00 0.00 H new ATOM 0 HA PHE A 48 5.441 -3.930 0.739 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.276 -5.531 2.520 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.036 -4.411 3.047 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.631 -5.018 2.917 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.710 -7.770 1.704 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.091 -6.927 3.314 1.00 0.00 H new ATOM 0 HE2 PHE A 48 5.136 -9.665 1.998 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.839 -9.250 2.858 1.00 0.00 H new ATOM 727 N PHE A 49 7.066 -2.024 0.763 1.00 0.00 N ATOM 728 CA PHE A 49 7.905 -0.830 0.831 1.00 0.00 C ATOM 729 C PHE A 49 8.561 -0.706 2.211 1.00 0.00 C ATOM 730 O PHE A 49 7.931 -1.002 3.226 1.00 0.00 O ATOM 731 CB PHE A 49 7.029 0.395 0.547 1.00 0.00 C ATOM 732 CG PHE A 49 6.741 0.600 -0.924 1.00 0.00 C ATOM 733 CD1 PHE A 49 7.785 1.025 -1.758 1.00 0.00 C ATOM 734 CD2 PHE A 49 5.472 0.351 -1.475 1.00 0.00 C ATOM 735 CE1 PHE A 49 7.569 1.252 -3.119 1.00 0.00 C ATOM 736 CE2 PHE A 49 5.258 0.566 -2.848 1.00 0.00 C ATOM 737 CZ PHE A 49 6.297 1.036 -3.672 1.00 0.00 C ATOM 0 H PHE A 49 6.108 -1.818 0.482 1.00 0.00 H new ATOM 0 HA PHE A 49 8.701 -0.900 0.090 1.00 0.00 H new ATOM 0 HB2 PHE A 49 6.086 0.290 1.083 1.00 0.00 H new ATOM 0 HB3 PHE A 49 7.522 1.284 0.940 1.00 0.00 H new ATOM 0 HD1 PHE A 49 8.770 1.179 -1.342 1.00 0.00 H new ATOM 0 HD2 PHE A 49 4.667 -0.003 -0.848 1.00 0.00 H new ATOM 0 HE1 PHE A 49 8.380 1.593 -3.745 1.00 0.00 H new ATOM 0 HE2 PHE A 49 4.286 0.368 -3.275 1.00 0.00 H new ATOM 0 HZ PHE A 49 6.118 1.229 -4.719 1.00 0.00 H new ATOM 747 N GLY A 50 9.792 -0.210 2.302 1.00 0.00 N ATOM 748 CA GLY A 50 10.437 0.114 3.569 1.00 0.00 C ATOM 749 C GLY A 50 11.203 -1.053 4.185 1.00 0.00 C ATOM 750 O GLY A 50 12.394 -0.886 4.448 1.00 0.00 O ATOM 0 H GLY A 50 10.376 -0.020 1.488 1.00 0.00 H new ATOM 0 HA2 GLY A 50 11.124 0.946 3.414 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.679 0.453 4.276 1.00 0.00 H new ATOM 754 N THR A 51 10.581 -2.212 4.473 1.00 0.00 N ATOM 755 CA THR A 51 11.400 -3.361 4.893 1.00 0.00 C ATOM 756 C THR A 51 11.967 -4.105 3.690 1.00 0.00 C ATOM 757 O THR A 51 12.984 -4.777 3.836 1.00 0.00 O ATOM 758 CB THR A 51 10.702 -4.343 5.843 1.00 0.00 C ATOM 759 OG1 THR A 51 9.779 -5.200 5.196 1.00 0.00 O ATOM 760 CG2 THR A 51 10.066 -3.655 7.054 1.00 0.00 C ATOM 0 H THR A 51 9.575 -2.374 4.427 1.00 0.00 H new ATOM 0 HA THR A 51 12.212 -2.919 5.471 1.00 0.00 H new ATOM 0 HB THR A 51 11.505 -4.978 6.217 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.372 -5.800 5.855 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.588 -4.402 7.688 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.837 -3.135 7.623 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.320 -2.937 6.714 1.00 0.00 H new ATOM 768 N HIS A 52 11.321 -4.008 2.526 1.00 0.00 N ATOM 769 CA HIS A 52 11.720 -4.660 1.281 1.00 0.00 C ATOM 770 C HIS A 52 11.521 -6.184 1.336 1.00 0.00 C ATOM 771 O HIS A 52 12.088 -6.913 0.517 1.00 0.00 O ATOM 772 CB HIS A 52 13.155 -4.264 0.869 1.00 0.00 C ATOM 773 CG HIS A 52 13.548 -2.837 1.172 1.00 0.00 C ATOM 774 ND1 HIS A 52 14.739 -2.460 1.744 1.00 0.00 N ATOM 775 CD2 HIS A 52 12.787 -1.707 1.022 1.00 0.00 C ATOM 776 CE1 HIS A 52 14.693 -1.138 1.951 1.00 0.00 C ATOM 777 NE2 HIS A 52 13.536 -0.627 1.505 1.00 0.00 N ATOM 0 H HIS A 52 10.473 -3.451 2.423 1.00 0.00 H new ATOM 0 HA HIS A 52 11.056 -4.296 0.497 1.00 0.00 H new ATOM 0 HB2 HIS A 52 13.856 -4.930 1.372 1.00 0.00 H new ATOM 0 HB3 HIS A 52 13.267 -4.434 -0.202 1.00 0.00 H new ATOM 0 HD2 HIS A 52 11.791 -1.658 0.607 1.00 0.00 H new ATOM 0 HE1 HIS A 52 15.480 -0.562 2.414 1.00 0.00 H new ATOM 0 HE2 HIS A 52 13.257 0.354 1.516 1.00 0.00 H new ATOM 785 N GLU A 53 10.720 -6.691 2.284 1.00 0.00 N ATOM 786 CA GLU A 53 10.292 -8.085 2.229 1.00 0.00 C ATOM 787 C GLU A 53 9.422 -8.268 0.979 1.00 0.00 C ATOM 788 O GLU A 53 8.798 -7.325 0.482 1.00 0.00 O ATOM 789 CB GLU A 53 9.550 -8.532 3.509 1.00 0.00 C ATOM 790 CG GLU A 53 10.489 -8.694 4.719 1.00 0.00 C ATOM 791 CD GLU A 53 9.892 -9.509 5.882 1.00 0.00 C ATOM 792 OE1 GLU A 53 8.680 -9.391 6.193 1.00 0.00 O ATOM 793 OE2 GLU A 53 10.638 -10.267 6.543 1.00 0.00 O ATOM 0 H GLU A 53 10.364 -6.164 3.081 1.00 0.00 H new ATOM 0 HA GLU A 53 11.173 -8.724 2.169 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.778 -7.801 3.750 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.044 -9.479 3.318 1.00 0.00 H new ATOM 0 HG2 GLU A 53 11.409 -9.176 4.388 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.762 -7.705 5.087 1.00 0.00 H new ATOM 800 N THR A 54 9.363 -9.498 0.487 1.00 0.00 N ATOM 801 CA THR A 54 8.632 -9.883 -0.707 1.00 0.00 C ATOM 802 C THR A 54 7.897 -11.184 -0.410 1.00 0.00 C ATOM 803 O THR A 54 8.507 -12.134 0.103 1.00 0.00 O ATOM 804 CB THR A 54 9.607 -10.040 -1.889 1.00 0.00 C ATOM 805 OG1 THR A 54 10.846 -10.608 -1.492 1.00 0.00 O ATOM 806 CG2 THR A 54 9.905 -8.698 -2.554 1.00 0.00 C ATOM 0 H THR A 54 9.842 -10.283 0.927 1.00 0.00 H new ATOM 0 HA THR A 54 7.907 -9.117 -0.984 1.00 0.00 H new ATOM 0 HB THR A 54 9.107 -10.707 -2.592 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.433 -10.691 -2.272 1.00 0.00 H new ATOM 0 HG21 THR A 54 10.596 -8.848 -3.383 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.978 -8.264 -2.928 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.354 -8.023 -1.826 1.00 0.00 H new ATOM 814 N ALA A 55 6.598 -11.247 -0.711 1.00 0.00 N ATOM 815 CA ALA A 55 5.845 -12.489 -0.657 1.00 0.00 C ATOM 816 C ALA A 55 4.663 -12.478 -1.613 1.00 0.00 C ATOM 817 O ALA A 55 4.168 -11.409 -1.967 1.00 0.00 O ATOM 818 CB ALA A 55 5.378 -12.753 0.771 1.00 0.00 C ATOM 0 H ALA A 55 6.046 -10.439 -0.997 1.00 0.00 H new ATOM 0 HA ALA A 55 6.507 -13.295 -0.973 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.814 -13.685 0.803 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.244 -12.830 1.429 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.741 -11.933 1.103 1.00 0.00 H new ATOM 824 N PHE A 56 4.160 -13.659 -1.980 1.00 0.00 N ATOM 825 CA PHE A 56 2.984 -13.759 -2.830 1.00 0.00 C ATOM 826 C PHE A 56 1.711 -13.794 -1.979 1.00 0.00 C ATOM 827 O PHE A 56 1.530 -14.721 -1.179 1.00 0.00 O ATOM 828 CB PHE A 56 3.049 -14.972 -3.773 1.00 0.00 C ATOM 829 CG PHE A 56 4.372 -15.225 -4.476 1.00 0.00 C ATOM 830 CD1 PHE A 56 4.737 -14.507 -5.635 1.00 0.00 C ATOM 831 CD2 PHE A 56 5.228 -16.231 -3.987 1.00 0.00 C ATOM 832 CE1 PHE A 56 5.932 -14.813 -6.309 1.00 0.00 C ATOM 833 CE2 PHE A 56 6.434 -16.518 -4.646 1.00 0.00 C ATOM 834 CZ PHE A 56 6.777 -15.820 -5.814 1.00 0.00 C ATOM 0 H PHE A 56 4.553 -14.557 -1.699 1.00 0.00 H new ATOM 0 HA PHE A 56 2.960 -12.870 -3.460 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.794 -15.863 -3.198 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.278 -14.852 -4.534 1.00 0.00 H new ATOM 0 HD1 PHE A 56 4.096 -13.720 -6.005 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.955 -16.784 -3.101 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.200 -14.275 -7.206 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.097 -17.275 -4.254 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.693 -16.058 -6.334 1.00 0.00 H new ATOM 844 N LEU A 57 0.798 -12.841 -2.194 1.00 0.00 N ATOM 845 CA LEU A 57 -0.557 -12.845 -1.625 1.00 0.00 C ATOM 846 C LEU A 57 -1.572 -12.676 -2.753 1.00 0.00 C ATOM 847 O LEU A 57 -1.229 -12.195 -3.835 1.00 0.00 O ATOM 848 CB LEU A 57 -0.743 -11.725 -0.581 1.00 0.00 C ATOM 849 CG LEU A 57 0.101 -11.879 0.698 1.00 0.00 C ATOM 850 CD1 LEU A 57 0.061 -10.577 1.505 1.00 0.00 C ATOM 851 CD2 LEU A 57 -0.395 -13.027 1.586 1.00 0.00 C ATOM 0 H LEU A 57 0.983 -12.027 -2.781 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.712 -13.796 -1.116 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.498 -10.771 -1.047 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.795 -11.682 -0.301 1.00 0.00 H new ATOM 0 HG LEU A 57 1.120 -12.107 0.386 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.659 -10.691 2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.464 -9.763 0.903 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.969 -10.350 1.778 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.232 -13.096 2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.427 -12.838 1.883 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.343 -13.964 1.032 1.00 0.00 H new ATOM 863 N GLY A 58 -2.817 -13.086 -2.511 1.00 0.00 N ATOM 864 CA GLY A 58 -3.924 -12.958 -3.440 1.00 0.00 C ATOM 865 C GLY A 58 -4.886 -11.838 -3.057 1.00 0.00 C ATOM 866 O GLY A 58 -4.814 -11.293 -1.955 1.00 0.00 O ATOM 0 H GLY A 58 -3.085 -13.530 -1.632 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.534 -12.770 -4.440 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.469 -13.901 -3.482 1.00 0.00 H new ATOM 870 N PRO A 59 -5.809 -11.487 -3.965 1.00 0.00 N ATOM 871 CA PRO A 59 -6.519 -10.213 -3.935 1.00 0.00 C ATOM 872 C PRO A 59 -7.490 -10.035 -2.763 1.00 0.00 C ATOM 873 O PRO A 59 -7.873 -8.900 -2.485 1.00 0.00 O ATOM 874 CB PRO A 59 -7.229 -10.094 -5.287 1.00 0.00 C ATOM 875 CG PRO A 59 -7.298 -11.528 -5.814 1.00 0.00 C ATOM 876 CD PRO A 59 -6.070 -12.196 -5.205 1.00 0.00 C ATOM 0 HA PRO A 59 -5.799 -9.411 -3.772 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -8.225 -9.664 -5.175 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.677 -9.447 -5.969 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -8.218 -12.024 -5.506 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -7.270 -11.556 -6.903 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.252 -13.255 -5.019 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.216 -12.133 -5.879 1.00 0.00 H new ATOM 884 N LYS A 60 -7.883 -11.093 -2.042 1.00 0.00 N ATOM 885 CA LYS A 60 -8.712 -10.925 -0.845 1.00 0.00 C ATOM 886 C LYS A 60 -7.980 -10.136 0.243 1.00 0.00 C ATOM 887 O LYS A 60 -8.647 -9.465 1.027 1.00 0.00 O ATOM 888 CB LYS A 60 -9.180 -12.289 -0.301 1.00 0.00 C ATOM 889 CG LYS A 60 -10.293 -12.916 -1.156 1.00 0.00 C ATOM 890 CD LYS A 60 -11.666 -12.259 -0.919 1.00 0.00 C ATOM 891 CE LYS A 60 -12.627 -12.486 -2.093 1.00 0.00 C ATOM 892 NZ LYS A 60 -13.102 -13.880 -2.200 1.00 0.00 N ATOM 0 H LYS A 60 -7.644 -12.060 -2.263 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.591 -10.350 -1.138 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.330 -12.971 -0.260 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.538 -12.165 0.721 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.029 -12.827 -2.210 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.361 -13.981 -0.933 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.107 -12.662 -0.007 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.533 -11.189 -0.763 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.486 -11.824 -1.983 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.127 -12.208 -3.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.746 -13.966 -3.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.289 -14.514 -2.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.606 -14.143 -1.329 1.00 0.00 H new ATOM 906 N ASP A 61 -6.648 -10.168 0.261 1.00 0.00 N ATOM 907 CA ASP A 61 -5.798 -9.586 1.301 1.00 0.00 C ATOM 908 C ASP A 61 -5.128 -8.285 0.821 1.00 0.00 C ATOM 909 O ASP A 61 -4.195 -7.801 1.469 1.00 0.00 O ATOM 910 CB ASP A 61 -4.754 -10.642 1.717 1.00 0.00 C ATOM 911 CG ASP A 61 -5.272 -11.626 2.767 1.00 0.00 C ATOM 912 OD1 ASP A 61 -6.271 -12.363 2.559 1.00 0.00 O ATOM 913 OD2 ASP A 61 -4.610 -11.762 3.817 1.00 0.00 O ATOM 0 H ASP A 61 -6.109 -10.618 -0.479 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.407 -9.314 2.163 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.438 -11.197 0.834 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.872 -10.136 2.108 1.00 0.00 H new ATOM 918 N LEU A 62 -5.543 -7.738 -0.331 1.00 0.00 N ATOM 919 CA LEU A 62 -4.871 -6.644 -1.027 1.00 0.00 C ATOM 920 C LEU A 62 -5.900 -5.598 -1.439 1.00 0.00 C ATOM 921 O LEU A 62 -6.865 -5.927 -2.132 1.00 0.00 O ATOM 922 CB LEU A 62 -4.158 -7.167 -2.284 1.00 0.00 C ATOM 923 CG LEU A 62 -3.111 -8.263 -2.036 1.00 0.00 C ATOM 924 CD1 LEU A 62 -2.629 -8.795 -3.382 1.00 0.00 C ATOM 925 CD2 LEU A 62 -1.924 -7.749 -1.227 1.00 0.00 C ATOM 0 H LEU A 62 -6.382 -8.059 -0.814 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.135 -6.202 -0.356 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.909 -7.554 -2.973 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.671 -6.328 -2.781 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.578 -9.058 -1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.885 -9.574 -3.220 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.473 -9.209 -3.933 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.184 -7.982 -3.956 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.209 -8.558 -1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.441 -6.934 -1.767 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.272 -7.387 -0.260 1.00 0.00 H new ATOM 937 N PHE A 63 -5.669 -4.338 -1.074 1.00 0.00 N ATOM 938 CA PHE A 63 -6.653 -3.265 -1.148 1.00 0.00 C ATOM 939 C PHE A 63 -6.136 -2.112 -2.021 1.00 0.00 C ATOM 940 O PHE A 63 -4.943 -1.804 -1.946 1.00 0.00 O ATOM 941 CB PHE A 63 -6.960 -2.795 0.281 1.00 0.00 C ATOM 942 CG PHE A 63 -7.505 -3.902 1.163 1.00 0.00 C ATOM 943 CD1 PHE A 63 -6.626 -4.737 1.882 1.00 0.00 C ATOM 944 CD2 PHE A 63 -8.892 -4.129 1.225 1.00 0.00 C ATOM 945 CE1 PHE A 63 -7.126 -5.823 2.616 1.00 0.00 C ATOM 946 CE2 PHE A 63 -9.393 -5.210 1.974 1.00 0.00 C ATOM 947 CZ PHE A 63 -8.509 -6.066 2.654 1.00 0.00 C ATOM 0 H PHE A 63 -4.768 -4.029 -0.709 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.569 -3.627 -1.614 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.051 -2.395 0.729 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -7.682 -1.979 0.242 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.564 -4.540 1.868 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -9.571 -3.475 0.699 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.448 -6.472 3.151 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -10.458 -5.382 2.026 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.893 -6.911 3.206 1.00 0.00 H new ATOM 957 N PRO A 64 -6.999 -1.453 -2.820 1.00 0.00 N ATOM 958 CA PRO A 64 -6.606 -0.391 -3.737 1.00 0.00 C ATOM 959 C PRO A 64 -5.998 0.792 -2.991 1.00 0.00 C ATOM 960 O PRO A 64 -6.665 1.405 -2.157 1.00 0.00 O ATOM 961 CB PRO A 64 -7.868 0.020 -4.511 1.00 0.00 C ATOM 962 CG PRO A 64 -9.041 -0.652 -3.802 1.00 0.00 C ATOM 963 CD PRO A 64 -8.421 -1.729 -2.923 1.00 0.00 C ATOM 0 HA PRO A 64 -5.834 -0.741 -4.422 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.986 1.104 -4.516 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.808 -0.299 -5.551 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.603 0.067 -3.205 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.738 -1.084 -4.520 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.883 -1.729 -1.936 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.588 -2.716 -3.353 1.00 0.00 H new ATOM 971 N TYR A 65 -4.751 1.155 -3.299 1.00 0.00 N ATOM 972 CA TYR A 65 -4.095 2.281 -2.641 1.00 0.00 C ATOM 973 C TYR A 65 -4.914 3.556 -2.792 1.00 0.00 C ATOM 974 O TYR A 65 -5.192 4.228 -1.808 1.00 0.00 O ATOM 975 CB TYR A 65 -2.707 2.481 -3.233 1.00 0.00 C ATOM 976 CG TYR A 65 -1.969 3.709 -2.737 1.00 0.00 C ATOM 977 CD1 TYR A 65 -1.509 3.771 -1.413 1.00 0.00 C ATOM 978 CD2 TYR A 65 -1.749 4.797 -3.599 1.00 0.00 C ATOM 979 CE1 TYR A 65 -0.798 4.890 -0.952 1.00 0.00 C ATOM 980 CE2 TYR A 65 -1.050 5.927 -3.146 1.00 0.00 C ATOM 981 CZ TYR A 65 -0.557 5.976 -1.822 1.00 0.00 C ATOM 982 OH TYR A 65 0.098 7.084 -1.376 1.00 0.00 O ATOM 0 H TYR A 65 -4.178 0.685 -3.999 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.010 2.058 -1.578 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -2.104 1.600 -3.013 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.797 2.543 -4.318 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -1.704 2.948 -0.741 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.119 4.764 -4.613 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.436 4.920 0.065 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -0.888 6.762 -3.812 1.00 0.00 H new ATOM 0 HH TYR A 65 0.178 7.733 -2.106 1.00 0.00 H new ATOM 992 N LYS A 66 -5.325 3.878 -4.019 1.00 0.00 N ATOM 993 CA LYS A 66 -5.991 5.137 -4.341 1.00 0.00 C ATOM 994 C LYS A 66 -7.270 5.343 -3.523 1.00 0.00 C ATOM 995 O LYS A 66 -7.592 6.474 -3.172 1.00 0.00 O ATOM 996 CB LYS A 66 -6.250 5.171 -5.853 1.00 0.00 C ATOM 997 CG LYS A 66 -4.947 5.392 -6.650 1.00 0.00 C ATOM 998 CD LYS A 66 -4.772 4.477 -7.872 1.00 0.00 C ATOM 999 CE LYS A 66 -4.508 3.015 -7.478 1.00 0.00 C ATOM 1000 NZ LYS A 66 -3.957 2.223 -8.598 1.00 0.00 N ATOM 0 H LYS A 66 -5.203 3.264 -4.825 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.344 5.971 -4.068 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -6.713 4.234 -6.164 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.957 5.968 -6.083 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.914 6.429 -6.983 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.100 5.245 -5.980 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.668 4.527 -8.491 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.944 4.842 -8.480 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.812 2.987 -6.639 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.438 2.560 -7.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.843 1.233 -8.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.607 2.268 -9.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.032 2.610 -8.875 1.00 0.00 H new ATOM 1014 N GLU A 67 -7.974 4.269 -3.174 1.00 0.00 N ATOM 1015 CA GLU A 67 -9.076 4.291 -2.220 1.00 0.00 C ATOM 1016 C GLU A 67 -8.508 4.488 -0.815 1.00 0.00 C ATOM 1017 O GLU A 67 -8.738 5.505 -0.156 1.00 0.00 O ATOM 1018 CB GLU A 67 -9.846 2.955 -2.294 1.00 0.00 C ATOM 1019 CG GLU A 67 -11.126 3.022 -3.123 1.00 0.00 C ATOM 1020 CD GLU A 67 -10.872 3.434 -4.568 1.00 0.00 C ATOM 1021 OE1 GLU A 67 -9.947 2.900 -5.213 1.00 0.00 O ATOM 1022 OE2 GLU A 67 -11.647 4.282 -5.073 1.00 0.00 O ATOM 0 H GLU A 67 -7.789 3.341 -3.555 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.759 5.107 -2.456 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.191 2.193 -2.716 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.097 2.635 -1.283 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.615 2.048 -3.108 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.815 3.731 -2.663 1.00 0.00 H new ATOM 1029 N TYR A 68 -7.796 3.471 -0.334 1.00 0.00 N ATOM 1030 CA TYR A 68 -7.510 3.264 1.075 1.00 0.00 C ATOM 1031 C TYR A 68 -6.407 4.172 1.605 1.00 0.00 C ATOM 1032 O TYR A 68 -6.151 4.160 2.802 1.00 0.00 O ATOM 1033 CB TYR A 68 -7.209 1.783 1.297 1.00 0.00 C ATOM 1034 CG TYR A 68 -8.476 0.955 1.262 1.00 0.00 C ATOM 1035 CD1 TYR A 68 -9.217 0.776 2.440 1.00 0.00 C ATOM 1036 CD2 TYR A 68 -8.957 0.428 0.052 1.00 0.00 C ATOM 1037 CE1 TYR A 68 -10.414 0.040 2.423 1.00 0.00 C ATOM 1038 CE2 TYR A 68 -10.156 -0.301 0.016 1.00 0.00 C ATOM 1039 CZ TYR A 68 -10.879 -0.506 1.208 1.00 0.00 C ATOM 1040 OH TYR A 68 -12.048 -1.191 1.171 1.00 0.00 O ATOM 0 H TYR A 68 -7.393 2.751 -0.934 1.00 0.00 H new ATOM 0 HA TYR A 68 -8.390 3.545 1.654 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.520 1.430 0.530 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.711 1.650 2.258 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.865 1.207 3.366 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.399 0.585 -0.859 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -10.975 -0.107 3.334 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.522 -0.702 -0.918 1.00 0.00 H new ATOM 0 HH TYR A 68 -12.219 -1.497 0.256 1.00 0.00 H new ATOM 1050 N LYS A 69 -5.788 5.000 0.771 1.00 0.00 N ATOM 1051 CA LYS A 69 -4.716 5.911 1.117 1.00 0.00 C ATOM 1052 C LYS A 69 -5.092 6.749 2.337 1.00 0.00 C ATOM 1053 O LYS A 69 -4.304 6.844 3.273 1.00 0.00 O ATOM 1054 CB LYS A 69 -4.372 6.699 -0.161 1.00 0.00 C ATOM 1055 CG LYS A 69 -3.622 7.988 0.132 1.00 0.00 C ATOM 1056 CD LYS A 69 -2.997 8.621 -1.120 1.00 0.00 C ATOM 1057 CE LYS A 69 -3.986 9.252 -2.106 1.00 0.00 C ATOM 1058 NZ LYS A 69 -4.594 10.486 -1.576 1.00 0.00 N ATOM 0 H LYS A 69 -6.038 5.052 -0.216 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.809 5.398 1.438 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -3.768 6.073 -0.818 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.291 6.932 -0.698 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.306 8.703 0.590 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.836 7.786 0.860 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.289 9.387 -0.803 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.426 7.856 -1.646 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.471 9.476 -3.040 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.772 8.533 -2.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.255 10.876 -2.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.108 10.270 -0.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.848 11.183 -1.378 1.00 0.00 H new ATOM 1072 N ASP A 70 -6.302 7.308 2.362 1.00 0.00 N ATOM 1073 CA ASP A 70 -6.741 8.162 3.470 1.00 0.00 C ATOM 1074 C ASP A 70 -7.202 7.386 4.707 1.00 0.00 C ATOM 1075 O ASP A 70 -7.334 7.961 5.786 1.00 0.00 O ATOM 1076 CB ASP A 70 -7.899 9.026 2.982 1.00 0.00 C ATOM 1077 CG ASP A 70 -8.116 10.259 3.862 1.00 0.00 C ATOM 1078 OD1 ASP A 70 -7.188 11.095 3.952 1.00 0.00 O ATOM 1079 OD2 ASP A 70 -9.252 10.444 4.354 1.00 0.00 O ATOM 0 H ASP A 70 -6.998 7.185 1.627 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.878 8.755 3.774 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.706 9.343 1.957 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -8.812 8.430 2.964 1.00 0.00 H new ATOM 1084 N LYS A 71 -7.499 6.093 4.552 1.00 0.00 N ATOM 1085 CA LYS A 71 -8.058 5.221 5.576 1.00 0.00 C ATOM 1086 C LYS A 71 -6.939 4.410 6.233 1.00 0.00 C ATOM 1087 O LYS A 71 -6.708 4.496 7.434 1.00 0.00 O ATOM 1088 CB LYS A 71 -9.134 4.334 4.913 1.00 0.00 C ATOM 1089 CG LYS A 71 -9.939 3.554 5.955 1.00 0.00 C ATOM 1090 CD LYS A 71 -11.016 2.646 5.349 1.00 0.00 C ATOM 1091 CE LYS A 71 -12.283 3.409 4.945 1.00 0.00 C ATOM 1092 NZ LYS A 71 -13.302 2.536 4.321 1.00 0.00 N ATOM 0 H LYS A 71 -7.348 5.608 3.667 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.532 5.794 6.373 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.807 4.956 4.323 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.658 3.637 4.223 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.256 2.946 6.548 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.413 4.259 6.637 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.608 2.141 4.474 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.279 1.872 6.070 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.711 3.887 5.826 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.017 4.204 4.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.137 3.103 4.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.907 2.099 3.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.580 1.792 4.992 1.00 0.00 H new ATOM 1106 N PHE A 72 -6.265 3.579 5.445 1.00 0.00 N ATOM 1107 CA PHE A 72 -5.218 2.668 5.869 1.00 0.00 C ATOM 1108 C PHE A 72 -3.853 3.346 5.891 1.00 0.00 C ATOM 1109 O PHE A 72 -3.036 2.964 6.727 1.00 0.00 O ATOM 1110 CB PHE A 72 -5.174 1.469 4.915 1.00 0.00 C ATOM 1111 CG PHE A 72 -6.366 0.524 4.927 1.00 0.00 C ATOM 1112 CD1 PHE A 72 -7.404 0.621 5.879 1.00 0.00 C ATOM 1113 CD2 PHE A 72 -6.421 -0.491 3.954 1.00 0.00 C ATOM 1114 CE1 PHE A 72 -8.480 -0.281 5.850 1.00 0.00 C ATOM 1115 CE2 PHE A 72 -7.483 -1.409 3.942 1.00 0.00 C ATOM 1116 CZ PHE A 72 -8.516 -1.302 4.885 1.00 0.00 C ATOM 0 H PHE A 72 -6.447 3.523 4.443 1.00 0.00 H new ATOM 0 HA PHE A 72 -5.446 2.341 6.883 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -5.055 1.849 3.900 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.281 0.888 5.144 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -7.370 1.393 6.634 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.641 -0.564 3.211 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -9.280 -0.190 6.570 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -7.505 -2.199 3.206 1.00 0.00 H new ATOM 0 HZ PHE A 72 -9.337 -2.003 4.869 1.00 0.00 H new ATOM 1126 N GLY A 73 -3.596 4.333 5.021 1.00 0.00 N ATOM 1127 CA GLY A 73 -2.296 4.983 4.894 1.00 0.00 C ATOM 1128 C GLY A 73 -2.100 5.967 6.034 1.00 0.00 C ATOM 1129 O GLY A 73 -2.211 7.182 5.857 1.00 0.00 O ATOM 0 H GLY A 73 -4.298 4.703 4.380 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.503 4.236 4.906 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.230 5.502 3.938 1.00 0.00 H new ATOM 1133 N LYS A 74 -1.856 5.444 7.231 1.00 0.00 N ATOM 1134 CA LYS A 74 -1.879 6.192 8.476 1.00 0.00 C ATOM 1135 C LYS A 74 -0.636 5.858 9.259 1.00 0.00 C ATOM 1136 O LYS A 74 -0.358 4.676 9.483 1.00 0.00 O ATOM 1137 CB LYS A 74 -3.135 5.818 9.278 1.00 0.00 C ATOM 1138 CG LYS A 74 -4.421 6.445 8.719 1.00 0.00 C ATOM 1139 CD LYS A 74 -4.450 7.947 9.008 1.00 0.00 C ATOM 1140 CE LYS A 74 -5.705 8.598 8.432 1.00 0.00 C ATOM 1141 NZ LYS A 74 -5.384 9.841 7.702 1.00 0.00 N ATOM 0 H LYS A 74 -1.630 4.458 7.362 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.905 7.263 8.274 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.242 4.733 9.287 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.005 6.134 10.313 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.479 6.274 7.644 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -5.292 5.965 9.166 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.413 8.113 10.085 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.565 8.419 8.582 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.203 7.899 7.760 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.404 8.819 9.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.259 10.257 7.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.931 10.517 8.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.736 9.625 6.918 1.00 0.00 H new ATOM 1155 N SER A 75 0.067 6.903 9.693 1.00 0.00 N ATOM 1156 CA SER A 75 1.230 6.857 10.539 1.00 0.00 C ATOM 1157 C SER A 75 1.008 5.828 11.641 1.00 0.00 C ATOM 1158 O SER A 75 -0.037 5.765 12.294 1.00 0.00 O ATOM 1159 CB SER A 75 1.519 8.270 11.063 1.00 0.00 C ATOM 1160 OG SER A 75 0.392 8.841 11.705 1.00 0.00 O ATOM 0 H SER A 75 -0.187 7.858 9.440 1.00 0.00 H new ATOM 0 HA SER A 75 2.114 6.536 9.988 1.00 0.00 H new ATOM 0 HB2 SER A 75 2.354 8.233 11.762 1.00 0.00 H new ATOM 0 HB3 SER A 75 1.825 8.908 10.234 1.00 0.00 H new ATOM 0 HG SER A 75 0.618 9.739 12.025 1.00 0.00 H new ATOM 1166 N ASN A 76 1.995 4.969 11.801 1.00 0.00 N ATOM 1167 CA ASN A 76 2.026 3.955 12.839 1.00 0.00 C ATOM 1168 C ASN A 76 3.442 3.929 13.360 1.00 0.00 C ATOM 1169 O ASN A 76 4.382 3.937 12.560 1.00 0.00 O ATOM 1170 CB ASN A 76 1.639 2.577 12.291 1.00 0.00 C ATOM 1171 CG ASN A 76 1.085 1.701 13.401 1.00 0.00 C ATOM 1172 OD1 ASN A 76 1.790 1.354 14.340 1.00 0.00 O ATOM 1173 ND2 ASN A 76 -0.185 1.341 13.334 1.00 0.00 N ATOM 0 H ASN A 76 2.818 4.956 11.199 1.00 0.00 H new ATOM 0 HA ASN A 76 1.308 4.190 13.625 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.895 2.688 11.502 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.510 2.099 11.843 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.592 0.766 14.072 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.759 1.639 12.545 1.00 0.00 H new ATOM 1180 N LYS A 77 3.607 3.898 14.680 1.00 0.00 N ATOM 1181 CA LYS A 77 4.919 3.757 15.282 1.00 0.00 C ATOM 1182 C LYS A 77 5.292 2.279 15.173 1.00 0.00 C ATOM 1183 O LYS A 77 5.258 1.545 16.154 1.00 0.00 O ATOM 1184 CB LYS A 77 4.924 4.308 16.722 1.00 0.00 C ATOM 1185 CG LYS A 77 4.929 5.848 16.803 1.00 0.00 C ATOM 1186 CD LYS A 77 3.617 6.545 16.405 1.00 0.00 C ATOM 1187 CE LYS A 77 3.694 8.039 16.742 1.00 0.00 C ATOM 1188 NZ LYS A 77 2.406 8.726 16.512 1.00 0.00 N ATOM 0 H LYS A 77 2.842 3.969 15.351 1.00 0.00 H new ATOM 0 HA LYS A 77 5.676 4.348 14.766 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.048 3.929 17.248 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.800 3.924 17.244 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.177 6.138 17.824 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.727 6.224 16.162 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.435 6.413 15.338 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.779 6.088 16.931 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.989 8.161 17.784 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.468 8.508 16.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.502 9.733 16.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.136 8.633 15.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.672 8.296 17.110 1.00 0.00 H new ATOM 1202 N ARG A 78 5.606 1.813 13.970 1.00 0.00 N ATOM 1203 CA ARG A 78 6.259 0.544 13.705 1.00 0.00 C ATOM 1204 C ARG A 78 7.546 0.897 12.989 1.00 0.00 C ATOM 1205 O ARG A 78 7.542 1.708 12.057 1.00 0.00 O ATOM 1206 CB ARG A 78 5.359 -0.338 12.833 1.00 0.00 C ATOM 1207 CG ARG A 78 4.202 -0.973 13.596 1.00 0.00 C ATOM 1208 CD ARG A 78 4.600 -2.230 14.372 1.00 0.00 C ATOM 1209 NE ARG A 78 3.425 -2.808 15.038 1.00 0.00 N ATOM 1210 CZ ARG A 78 3.336 -4.004 15.623 1.00 0.00 C ATOM 1211 NH1 ARG A 78 4.424 -4.697 15.946 1.00 0.00 N ATOM 1212 NH2 ARG A 78 2.138 -4.514 15.887 1.00 0.00 N ATOM 0 H ARG A 78 5.402 2.335 13.118 1.00 0.00 H new ATOM 0 HA ARG A 78 6.458 -0.020 14.616 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.958 0.262 12.016 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.963 -1.126 12.383 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.791 -0.241 14.291 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.408 -1.226 12.893 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.039 -2.961 13.693 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.362 -1.984 15.112 1.00 0.00 H new ATOM 0 HE ARG A 78 2.584 -2.231 15.055 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.349 -4.316 15.747 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.333 -5.610 16.393 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.296 -3.992 15.643 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.060 -5.428 16.334 1.00 0.00 H new ATOM 1226 N LYS A 79 8.640 0.284 13.415 1.00 0.00 N ATOM 1227 CA LYS A 79 9.908 0.386 12.716 1.00 0.00 C ATOM 1228 C LYS A 79 9.759 -0.353 11.381 1.00 0.00 C ATOM 1229 O LYS A 79 8.978 -1.307 11.292 1.00 0.00 O ATOM 1230 CB LYS A 79 10.971 -0.176 13.669 1.00 0.00 C ATOM 1231 CG LYS A 79 12.402 0.068 13.193 1.00 0.00 C ATOM 1232 CD LYS A 79 13.362 0.196 14.384 1.00 0.00 C ATOM 1233 CE LYS A 79 14.818 -0.105 14.017 1.00 0.00 C ATOM 1234 NZ LYS A 79 15.039 -1.537 13.734 1.00 0.00 N ATOM 0 H LYS A 79 8.672 -0.296 14.253 1.00 0.00 H new ATOM 0 HA LYS A 79 10.215 1.400 12.460 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.841 0.275 14.653 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.813 -1.248 13.786 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.721 -0.753 12.551 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.439 0.976 12.592 1.00 0.00 H new ATOM 0 HD2 LYS A 79 13.297 1.206 14.789 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.044 -0.485 15.174 1.00 0.00 H new ATOM 0 HE2 LYS A 79 15.100 0.483 13.144 1.00 0.00 H new ATOM 0 HE3 LYS A 79 15.468 0.206 14.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.060 -1.729 13.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.610 -2.110 14.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.602 -1.782 12.823 1.00 0.00 H new ATOM 1248 N GLY A 80 10.436 0.083 10.323 1.00 0.00 N ATOM 1249 CA GLY A 80 10.179 -0.377 8.960 1.00 0.00 C ATOM 1250 C GLY A 80 9.013 0.388 8.351 1.00 0.00 C ATOM 1251 O GLY A 80 9.179 1.035 7.313 1.00 0.00 O ATOM 0 H GLY A 80 11.186 0.772 10.387 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.071 -0.239 8.349 1.00 0.00 H new ATOM 0 HA3 GLY A 80 9.958 -1.444 8.966 1.00 0.00 H new ATOM 1255 N PHE A 81 7.842 0.315 8.993 1.00 0.00 N ATOM 1256 CA PHE A 81 6.577 0.835 8.482 1.00 0.00 C ATOM 1257 C PHE A 81 6.745 2.264 7.985 1.00 0.00 C ATOM 1258 O PHE A 81 6.515 2.551 6.814 1.00 0.00 O ATOM 1259 CB PHE A 81 5.505 0.770 9.570 1.00 0.00 C ATOM 1260 CG PHE A 81 4.111 1.208 9.171 1.00 0.00 C ATOM 1261 CD1 PHE A 81 3.218 0.276 8.617 1.00 0.00 C ATOM 1262 CD2 PHE A 81 3.681 2.528 9.404 1.00 0.00 C ATOM 1263 CE1 PHE A 81 1.889 0.635 8.341 1.00 0.00 C ATOM 1264 CE2 PHE A 81 2.363 2.900 9.089 1.00 0.00 C ATOM 1265 CZ PHE A 81 1.459 1.948 8.588 1.00 0.00 C ATOM 0 H PHE A 81 7.750 -0.122 9.910 1.00 0.00 H new ATOM 0 HA PHE A 81 6.262 0.217 7.641 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.449 -0.256 9.934 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.830 1.388 10.407 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.557 -0.726 8.401 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.362 3.253 9.824 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.201 -0.095 7.941 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.044 3.922 9.233 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.434 2.226 8.393 1.00 0.00 H new ATOM 1275 N ASN A 82 7.131 3.166 8.885 1.00 0.00 N ATOM 1276 CA ASN A 82 7.141 4.584 8.670 1.00 0.00 C ATOM 1277 C ASN A 82 8.016 5.030 7.504 1.00 0.00 C ATOM 1278 O ASN A 82 7.664 5.986 6.818 1.00 0.00 O ATOM 1279 CB ASN A 82 7.637 5.178 9.991 1.00 0.00 C ATOM 1280 CG ASN A 82 7.233 6.613 10.163 1.00 0.00 C ATOM 1281 OD1 ASN A 82 6.036 6.959 9.735 1.00 0.00 O flip ATOM 1282 ND2 ASN A 82 7.933 7.390 10.801 1.00 0.00 N flip ATOM 0 H ASN A 82 7.455 2.903 9.816 1.00 0.00 H new ATOM 0 HA ASN A 82 6.145 4.929 8.393 1.00 0.00 H new ATOM 0 HB2 ASN A 82 7.243 4.591 10.820 1.00 0.00 H new ATOM 0 HB3 ASN A 82 8.723 5.102 10.035 1.00 0.00 H new ATOM 0 HD21 ASN A 82 8.856 7.099 11.122 1.00 0.00 H new ATOM 0 HD22 ASN A 82 7.592 8.328 11.012 1.00 0.00 H new ATOM 1289 N GLU A 83 9.119 4.326 7.266 1.00 0.00 N ATOM 1290 CA GLU A 83 9.981 4.543 6.114 1.00 0.00 C ATOM 1291 C GLU A 83 9.309 4.046 4.834 1.00 0.00 C ATOM 1292 O GLU A 83 9.337 4.746 3.830 1.00 0.00 O ATOM 1293 CB GLU A 83 11.337 3.865 6.365 1.00 0.00 C ATOM 1294 CG GLU A 83 12.385 4.952 6.643 1.00 0.00 C ATOM 1295 CD GLU A 83 13.775 4.380 6.873 1.00 0.00 C ATOM 1296 OE1 GLU A 83 13.940 3.527 7.769 1.00 0.00 O ATOM 1297 OE2 GLU A 83 14.739 4.800 6.181 1.00 0.00 O ATOM 0 H GLU A 83 9.442 3.578 7.879 1.00 0.00 H new ATOM 0 HA GLU A 83 10.155 5.610 5.977 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.267 3.182 7.211 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.629 3.271 5.499 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.416 5.645 5.802 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.083 5.527 7.519 1.00 0.00 H new ATOM 1304 N GLY A 84 8.618 2.906 4.877 1.00 0.00 N ATOM 1305 CA GLY A 84 7.855 2.413 3.737 1.00 0.00 C ATOM 1306 C GLY A 84 6.782 3.397 3.281 1.00 0.00 C ATOM 1307 O GLY A 84 6.545 3.511 2.082 1.00 0.00 O ATOM 0 H GLY A 84 8.573 2.304 5.699 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.535 2.212 2.909 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.386 1.465 4.001 1.00 0.00 H new ATOM 1311 N LEU A 85 6.160 4.137 4.210 1.00 0.00 N ATOM 1312 CA LEU A 85 5.183 5.161 3.867 1.00 0.00 C ATOM 1313 C LEU A 85 5.833 6.356 3.169 1.00 0.00 C ATOM 1314 O LEU A 85 5.148 7.043 2.423 1.00 0.00 O ATOM 1315 CB LEU A 85 4.414 5.631 5.111 1.00 0.00 C ATOM 1316 CG LEU A 85 3.232 4.733 5.516 1.00 0.00 C ATOM 1317 CD1 LEU A 85 2.079 4.729 4.500 1.00 0.00 C ATOM 1318 CD2 LEU A 85 3.649 3.357 6.017 1.00 0.00 C ATOM 0 H LEU A 85 6.324 4.038 5.212 1.00 0.00 H new ATOM 0 HA LEU A 85 4.479 4.706 3.170 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.109 5.693 5.949 1.00 0.00 H new ATOM 0 HB3 LEU A 85 4.041 6.639 4.931 1.00 0.00 H new ATOM 0 HG LEU A 85 2.801 5.210 6.396 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.284 4.074 4.855 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.691 5.741 4.386 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.443 4.369 3.538 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.762 2.782 6.283 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.198 2.835 5.233 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.287 3.467 6.894 1.00 0.00 H new ATOM 1330 N TRP A 86 7.128 6.609 3.380 1.00 0.00 N ATOM 1331 CA TRP A 86 7.865 7.576 2.577 1.00 0.00 C ATOM 1332 C TRP A 86 8.050 7.003 1.182 1.00 0.00 C ATOM 1333 O TRP A 86 7.764 7.686 0.205 1.00 0.00 O ATOM 1334 CB TRP A 86 9.226 7.871 3.221 1.00 0.00 C ATOM 1335 CG TRP A 86 9.933 9.079 2.711 1.00 0.00 C ATOM 1336 CD1 TRP A 86 9.934 10.306 3.274 1.00 0.00 C ATOM 1337 CD2 TRP A 86 10.787 9.177 1.540 1.00 0.00 C ATOM 1338 NE1 TRP A 86 10.779 11.134 2.565 1.00 0.00 N ATOM 1339 CE2 TRP A 86 11.273 10.512 1.439 1.00 0.00 C ATOM 1340 CE3 TRP A 86 11.177 8.258 0.548 1.00 0.00 C ATOM 1341 CZ2 TRP A 86 12.081 10.928 0.373 1.00 0.00 C ATOM 1342 CZ3 TRP A 86 11.986 8.665 -0.531 1.00 0.00 C ATOM 1343 CH2 TRP A 86 12.423 10.001 -0.627 1.00 0.00 C ATOM 0 H TRP A 86 7.685 6.154 4.103 1.00 0.00 H new ATOM 0 HA TRP A 86 7.310 8.512 2.519 1.00 0.00 H new ATOM 0 HB2 TRP A 86 9.082 7.983 4.296 1.00 0.00 H new ATOM 0 HB3 TRP A 86 9.872 7.005 3.074 1.00 0.00 H new ATOM 0 HD1 TRP A 86 9.362 10.594 4.144 1.00 0.00 H new ATOM 0 HE1 TRP A 86 11.010 12.089 2.840 1.00 0.00 H new ATOM 0 HE3 TRP A 86 10.853 7.230 0.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 12.436 11.947 0.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 12.272 7.950 -1.288 1.00 0.00 H new ATOM 0 HH2 TRP A 86 13.022 10.313 -1.470 1.00 0.00 H new ATOM 1354 N GLU A 87 8.533 5.763 1.102 1.00 0.00 N ATOM 1355 CA GLU A 87 8.927 5.119 -0.133 1.00 0.00 C ATOM 1356 C GLU A 87 7.763 5.044 -1.124 1.00 0.00 C ATOM 1357 O GLU A 87 7.929 5.398 -2.291 1.00 0.00 O ATOM 1358 CB GLU A 87 9.503 3.731 0.189 1.00 0.00 C ATOM 1359 CG GLU A 87 10.790 3.494 -0.603 1.00 0.00 C ATOM 1360 CD GLU A 87 11.120 2.009 -0.824 1.00 0.00 C ATOM 1361 OE1 GLU A 87 10.827 1.151 0.042 1.00 0.00 O ATOM 1362 OE2 GLU A 87 11.678 1.687 -1.894 1.00 0.00 O ATOM 0 H GLU A 87 8.661 5.170 1.922 1.00 0.00 H new ATOM 0 HA GLU A 87 9.699 5.714 -0.620 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.706 3.653 1.257 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.771 2.961 -0.054 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.704 3.985 -1.572 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.620 3.967 -0.078 1.00 0.00 H new ATOM 1369 N ILE A 88 6.580 4.626 -0.664 1.00 0.00 N ATOM 1370 CA ILE A 88 5.396 4.549 -1.510 1.00 0.00 C ATOM 1371 C ILE A 88 4.944 5.945 -1.943 1.00 0.00 C ATOM 1372 O ILE A 88 4.587 6.143 -3.106 1.00 0.00 O ATOM 1373 CB ILE A 88 4.275 3.758 -0.804 1.00 0.00 C ATOM 1374 CG1 ILE A 88 3.131 3.518 -1.806 1.00 0.00 C ATOM 1375 CG2 ILE A 88 3.744 4.448 0.465 1.00 0.00 C ATOM 1376 CD1 ILE A 88 2.128 2.476 -1.328 1.00 0.00 C ATOM 0 H ILE A 88 6.421 4.334 0.300 1.00 0.00 H new ATOM 0 HA ILE A 88 5.648 4.004 -2.419 1.00 0.00 H new ATOM 0 HB ILE A 88 4.700 2.811 -0.470 1.00 0.00 H new ATOM 0 HG12 ILE A 88 2.611 4.459 -1.987 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.552 3.198 -2.759 1.00 0.00 H new ATOM 0 HG21 ILE A 88 2.959 3.837 0.910 1.00 0.00 H new ATOM 0 HG22 ILE A 88 4.557 4.570 1.180 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.339 5.426 0.205 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.347 2.352 -2.078 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.637 1.525 -1.174 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.681 2.804 -0.390 1.00 0.00 H new ATOM 1388 N GLU A 89 4.953 6.923 -1.034 1.00 0.00 N ATOM 1389 CA GLU A 89 4.513 8.276 -1.350 1.00 0.00 C ATOM 1390 C GLU A 89 5.490 8.961 -2.306 1.00 0.00 C ATOM 1391 O GLU A 89 5.070 9.851 -3.045 1.00 0.00 O ATOM 1392 CB GLU A 89 4.250 9.074 -0.058 1.00 0.00 C ATOM 1393 CG GLU A 89 2.908 8.596 0.529 1.00 0.00 C ATOM 1394 CD GLU A 89 2.427 9.327 1.786 1.00 0.00 C ATOM 1395 OE1 GLU A 89 2.387 10.575 1.808 1.00 0.00 O ATOM 1396 OE2 GLU A 89 1.895 8.644 2.699 1.00 0.00 O ATOM 0 H GLU A 89 5.262 6.798 -0.070 1.00 0.00 H new ATOM 0 HA GLU A 89 3.562 8.230 -1.881 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.057 8.918 0.658 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.215 10.143 -0.270 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.142 8.695 -0.240 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.993 7.534 0.760 1.00 0.00 H new ATOM 1403 N ASN A 90 6.733 8.480 -2.391 1.00 0.00 N ATOM 1404 CA ASN A 90 7.794 8.949 -3.281 1.00 0.00 C ATOM 1405 C ASN A 90 8.081 7.914 -4.377 1.00 0.00 C ATOM 1406 O ASN A 90 9.205 7.809 -4.867 1.00 0.00 O ATOM 1407 CB ASN A 90 9.038 9.301 -2.448 1.00 0.00 C ATOM 1408 CG ASN A 90 8.804 10.567 -1.637 1.00 0.00 C ATOM 1409 OD1 ASN A 90 8.982 11.666 -2.154 1.00 0.00 O ATOM 1410 ND2 ASN A 90 8.356 10.459 -0.401 1.00 0.00 N ATOM 0 H ASN A 90 7.043 7.706 -1.804 1.00 0.00 H new ATOM 0 HA ASN A 90 7.475 9.855 -3.796 1.00 0.00 H new ATOM 0 HB2 ASN A 90 9.279 8.475 -1.779 1.00 0.00 H new ATOM 0 HB3 ASN A 90 9.895 9.439 -3.107 1.00 0.00 H new ATOM 0 HD21 ASN A 90 8.151 11.298 0.142 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.214 9.537 0.011 1.00 0.00 H new