USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 820 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 8 TYR OH : rot -167:sc= 0.118 USER MOD Single : A 10 THR OG1 : rot 45:sc= -1.05 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -66:sc= 1.2 USER MOD Single : A 68 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.118) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 30:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.499 X(o=-0.5,f=-0.91) USER MOD Single : A 89 SER OG : rot 170:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 98 HIS : no HE2:sc= 0.00281 K(o=0.0028,f=-0.59) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 43 N GLU A 4 16.059 -4.237 -0.674 1.00 0.00 N ATOM 44 CA GLU A 4 14.931 -3.895 0.237 1.00 0.00 C ATOM 45 C GLU A 4 14.194 -2.672 -0.312 1.00 0.00 C ATOM 46 O GLU A 4 14.800 -1.689 -0.690 1.00 0.00 O ATOM 47 CB GLU A 4 15.479 -3.578 1.632 1.00 0.00 C ATOM 48 CG GLU A 4 15.391 -4.826 2.512 1.00 0.00 C ATOM 49 CD GLU A 4 16.753 -5.524 2.547 1.00 0.00 C ATOM 50 OE1 GLU A 4 17.609 -5.148 1.764 1.00 0.00 O ATOM 51 OE2 GLU A 4 16.914 -6.422 3.356 1.00 0.00 O ATOM 0 HA GLU A 4 14.244 -4.738 0.302 1.00 0.00 H new ATOM 0 HB2 GLU A 4 16.514 -3.243 1.560 1.00 0.00 H new ATOM 0 HB3 GLU A 4 14.911 -2.763 2.081 1.00 0.00 H new ATOM 0 HG2 GLU A 4 15.085 -4.551 3.522 1.00 0.00 H new ATOM 0 HG3 GLU A 4 14.632 -5.505 2.123 1.00 0.00 H new ATOM 58 N ILE A 5 12.891 -2.725 -0.367 1.00 0.00 N ATOM 59 CA ILE A 5 12.122 -1.563 -0.900 1.00 0.00 C ATOM 60 C ILE A 5 11.135 -1.068 0.160 1.00 0.00 C ATOM 61 O ILE A 5 10.869 -1.740 1.136 1.00 0.00 O ATOM 62 CB ILE A 5 11.357 -1.996 -2.151 1.00 0.00 C ATOM 63 CG1 ILE A 5 12.348 -2.269 -3.285 1.00 0.00 C ATOM 64 CG2 ILE A 5 10.398 -0.882 -2.572 1.00 0.00 C ATOM 65 CD1 ILE A 5 11.586 -2.743 -4.523 1.00 0.00 C ATOM 0 H ILE A 5 12.327 -3.520 -0.067 1.00 0.00 H new ATOM 0 HA ILE A 5 12.810 -0.756 -1.153 1.00 0.00 H new ATOM 0 HB ILE A 5 10.791 -2.902 -1.936 1.00 0.00 H new ATOM 0 HG12 ILE A 5 12.912 -1.365 -3.516 1.00 0.00 H new ATOM 0 HG13 ILE A 5 13.070 -3.025 -2.977 1.00 0.00 H new ATOM 0 HG21 ILE A 5 9.852 -1.190 -3.464 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.693 -0.685 -1.765 1.00 0.00 H new ATOM 0 HG23 ILE A 5 10.965 0.024 -2.788 1.00 0.00 H new ATOM 0 HD11 ILE A 5 12.291 -2.938 -5.331 1.00 0.00 H new ATOM 0 HD12 ILE A 5 11.042 -3.658 -4.287 1.00 0.00 H new ATOM 0 HD13 ILE A 5 10.881 -1.972 -4.834 1.00 0.00 H new ATOM 77 N ARG A 6 10.589 0.103 -0.025 1.00 0.00 N ATOM 78 CA ARG A 6 9.620 0.641 0.971 1.00 0.00 C ATOM 79 C ARG A 6 8.336 1.069 0.254 1.00 0.00 C ATOM 80 O ARG A 6 8.350 1.918 -0.614 1.00 0.00 O ATOM 81 CB ARG A 6 10.238 1.848 1.682 1.00 0.00 C ATOM 82 CG ARG A 6 11.396 1.382 2.565 1.00 0.00 C ATOM 83 CD ARG A 6 12.359 2.547 2.807 1.00 0.00 C ATOM 84 NE ARG A 6 13.643 2.024 3.353 1.00 0.00 N ATOM 85 CZ ARG A 6 14.570 2.853 3.753 1.00 0.00 C ATOM 86 NH1 ARG A 6 14.239 4.030 4.211 1.00 0.00 N ATOM 87 NH2 ARG A 6 15.826 2.505 3.697 1.00 0.00 N ATOM 0 H ARG A 6 10.772 0.711 -0.824 1.00 0.00 H new ATOM 0 HA ARG A 6 9.385 -0.130 1.704 1.00 0.00 H new ATOM 0 HB2 ARG A 6 10.594 2.572 0.949 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.485 2.352 2.288 1.00 0.00 H new ATOM 0 HG2 ARG A 6 11.014 1.009 3.515 1.00 0.00 H new ATOM 0 HG3 ARG A 6 11.922 0.556 2.086 1.00 0.00 H new ATOM 0 HD2 ARG A 6 12.539 3.084 1.875 1.00 0.00 H new ATOM 0 HD3 ARG A 6 11.918 3.259 3.505 1.00 0.00 H new ATOM 0 HE ARG A 6 13.798 1.018 3.414 1.00 0.00 H new ATOM 0 HH11 ARG A 6 13.257 4.302 4.256 1.00 0.00 H new ATOM 0 HH12 ARG A 6 14.962 4.678 4.523 1.00 0.00 H new ATOM 0 HH21 ARG A 6 16.085 1.585 3.341 1.00 0.00 H new ATOM 0 HH22 ARG A 6 16.549 3.153 4.010 1.00 0.00 H new ATOM 101 N LEU A 7 7.225 0.480 0.609 1.00 0.00 N ATOM 102 CA LEU A 7 5.944 0.848 -0.058 1.00 0.00 C ATOM 103 C LEU A 7 4.795 0.770 0.950 1.00 0.00 C ATOM 104 O LEU A 7 4.955 0.289 2.055 1.00 0.00 O ATOM 105 CB LEU A 7 5.674 -0.125 -1.206 1.00 0.00 C ATOM 106 CG LEU A 7 5.456 -1.529 -0.642 1.00 0.00 C ATOM 107 CD1 LEU A 7 3.975 -1.901 -0.750 1.00 0.00 C ATOM 108 CD2 LEU A 7 6.290 -2.536 -1.437 1.00 0.00 C ATOM 0 H LEU A 7 7.150 -0.238 1.330 1.00 0.00 H new ATOM 0 HA LEU A 7 6.018 1.864 -0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.796 0.193 -1.768 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.514 -0.127 -1.901 1.00 0.00 H new ATOM 0 HG LEU A 7 5.761 -1.548 0.404 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.821 -2.902 -0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.378 -1.186 -0.183 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.670 -1.880 -1.796 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.134 -3.537 -1.034 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.986 -2.515 -2.483 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.346 -2.275 -1.361 1.00 0.00 H new ATOM 120 N TYR A 8 3.636 1.239 0.574 1.00 0.00 N ATOM 121 CA TYR A 8 2.472 1.190 1.503 1.00 0.00 C ATOM 122 C TYR A 8 1.228 0.755 0.728 1.00 0.00 C ATOM 123 O TYR A 8 1.008 1.171 -0.392 1.00 0.00 O ATOM 124 CB TYR A 8 2.240 2.578 2.107 1.00 0.00 C ATOM 125 CG TYR A 8 0.933 2.587 2.862 1.00 0.00 C ATOM 126 CD1 TYR A 8 0.780 1.795 4.007 1.00 0.00 C ATOM 127 CD2 TYR A 8 -0.127 3.389 2.419 1.00 0.00 C ATOM 128 CE1 TYR A 8 -0.433 1.804 4.710 1.00 0.00 C ATOM 129 CE2 TYR A 8 -1.340 3.399 3.120 1.00 0.00 C ATOM 130 CZ TYR A 8 -1.493 2.606 4.266 1.00 0.00 C ATOM 131 OH TYR A 8 -2.688 2.616 4.957 1.00 0.00 O ATOM 0 H TYR A 8 3.445 1.654 -0.338 1.00 0.00 H new ATOM 0 HA TYR A 8 2.672 0.478 2.304 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.060 2.837 2.776 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.222 3.331 1.319 1.00 0.00 H new ATOM 0 HD1 TYR A 8 1.597 1.177 4.349 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -0.009 4.000 1.536 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -0.550 1.193 5.593 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -2.157 4.017 2.778 1.00 0.00 H new ATOM 0 HH TYR A 8 -3.376 3.054 4.414 1.00 0.00 H new ATOM 141 N ILE A 9 0.416 -0.084 1.309 1.00 0.00 N ATOM 142 CA ILE A 9 -0.809 -0.546 0.597 1.00 0.00 C ATOM 143 C ILE A 9 -2.048 -0.193 1.421 1.00 0.00 C ATOM 144 O ILE A 9 -2.014 -0.176 2.636 1.00 0.00 O ATOM 145 CB ILE A 9 -0.742 -2.061 0.403 1.00 0.00 C ATOM 146 CG1 ILE A 9 0.554 -2.423 -0.324 1.00 0.00 C ATOM 147 CG2 ILE A 9 -1.940 -2.522 -0.432 1.00 0.00 C ATOM 148 CD1 ILE A 9 1.257 -3.558 0.423 1.00 0.00 C ATOM 0 H ILE A 9 0.547 -0.469 2.244 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.870 -0.055 -0.374 1.00 0.00 H new ATOM 0 HB ILE A 9 -0.765 -2.554 1.375 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.337 -2.727 -1.348 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.207 -1.552 -0.382 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.893 -3.602 -0.571 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.864 -2.262 0.084 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.917 -2.030 -1.404 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.181 -3.817 -0.094 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.488 -3.237 1.439 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.604 -4.430 0.458 1.00 0.00 H new ATOM 160 N THR A 10 -3.143 0.084 0.769 1.00 0.00 N ATOM 161 CA THR A 10 -4.386 0.432 1.512 1.00 0.00 C ATOM 162 C THR A 10 -4.848 -0.780 2.321 1.00 0.00 C ATOM 163 O THR A 10 -5.103 -1.838 1.781 1.00 0.00 O ATOM 164 CB THR A 10 -5.479 0.828 0.517 1.00 0.00 C ATOM 165 OG1 THR A 10 -5.437 -0.049 -0.602 1.00 0.00 O ATOM 166 CG2 THR A 10 -5.250 2.266 0.049 1.00 0.00 C ATOM 0 H THR A 10 -3.231 0.084 -0.247 1.00 0.00 H new ATOM 0 HA THR A 10 -4.188 1.266 2.185 1.00 0.00 H new ATOM 0 HB THR A 10 -6.454 0.757 1.000 1.00 0.00 H new ATOM 0 HG1 THR A 10 -5.344 -0.973 -0.290 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.029 2.546 -0.660 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.281 2.937 0.907 1.00 0.00 H new ATOM 0 HG23 THR A 10 -4.276 2.340 -0.435 1.00 0.00 H new ATOM 174 N GLU A 11 -4.956 -0.638 3.614 1.00 0.00 N ATOM 175 CA GLU A 11 -5.399 -1.785 4.453 1.00 0.00 C ATOM 176 C GLU A 11 -6.873 -2.084 4.175 1.00 0.00 C ATOM 177 O GLU A 11 -7.560 -1.323 3.523 1.00 0.00 O ATOM 178 CB GLU A 11 -5.221 -1.436 5.932 1.00 0.00 C ATOM 179 CG GLU A 11 -5.146 -2.724 6.754 1.00 0.00 C ATOM 180 CD GLU A 11 -6.478 -2.954 7.469 1.00 0.00 C ATOM 181 OE1 GLU A 11 -7.074 -1.979 7.897 1.00 0.00 O ATOM 182 OE2 GLU A 11 -6.880 -4.101 7.577 1.00 0.00 O ATOM 0 H GLU A 11 -4.757 0.222 4.124 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.799 -2.662 4.211 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.313 -0.849 6.072 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.053 -0.821 6.274 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.920 -3.569 6.104 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.338 -2.656 7.482 1.00 0.00 H new ATOM 189 N GLY A 12 -7.365 -3.189 4.665 1.00 0.00 N ATOM 190 CA GLY A 12 -8.794 -3.538 4.430 1.00 0.00 C ATOM 191 C GLY A 12 -9.100 -4.894 5.069 1.00 0.00 C ATOM 192 O GLY A 12 -8.332 -5.405 5.860 1.00 0.00 O ATOM 0 H GLY A 12 -6.839 -3.865 5.218 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.441 -2.770 4.854 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.000 -3.574 3.360 1.00 0.00 H new ATOM 196 N GLU A 13 -10.215 -5.483 4.734 1.00 0.00 N ATOM 197 CA GLU A 13 -10.565 -6.806 5.325 1.00 0.00 C ATOM 198 C GLU A 13 -11.324 -7.641 4.293 1.00 0.00 C ATOM 199 O GLU A 13 -12.234 -8.375 4.623 1.00 0.00 O ATOM 200 CB GLU A 13 -11.445 -6.598 6.559 1.00 0.00 C ATOM 201 CG GLU A 13 -10.984 -7.538 7.676 1.00 0.00 C ATOM 202 CD GLU A 13 -9.495 -7.317 7.949 1.00 0.00 C ATOM 203 OE1 GLU A 13 -9.144 -6.221 8.355 1.00 0.00 O ATOM 204 OE2 GLU A 13 -8.732 -8.247 7.746 1.00 0.00 O ATOM 0 H GLU A 13 -10.898 -5.106 4.077 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.652 -7.327 5.614 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.384 -5.562 6.892 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.489 -6.793 6.312 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.562 -7.354 8.582 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.162 -8.575 7.390 1.00 0.00 H new ATOM 211 N VAL A 14 -10.959 -7.538 3.045 1.00 0.00 N ATOM 212 CA VAL A 14 -11.662 -8.328 1.996 1.00 0.00 C ATOM 213 C VAL A 14 -10.738 -9.436 1.485 1.00 0.00 C ATOM 214 O VAL A 14 -9.542 -9.405 1.695 1.00 0.00 O ATOM 215 CB VAL A 14 -12.054 -7.409 0.836 1.00 0.00 C ATOM 216 CG1 VAL A 14 -13.422 -6.786 1.123 1.00 0.00 C ATOM 217 CG2 VAL A 14 -11.010 -6.299 0.686 1.00 0.00 C ATOM 0 H VAL A 14 -10.204 -6.941 2.706 1.00 0.00 H new ATOM 0 HA VAL A 14 -12.561 -8.774 2.421 1.00 0.00 H new ATOM 0 HB VAL A 14 -12.102 -7.988 -0.086 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -13.704 -6.131 0.299 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -14.166 -7.575 1.230 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -13.372 -6.207 2.045 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -11.290 -5.645 -0.140 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.961 -5.719 1.607 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.035 -6.742 0.484 1.00 0.00 H new ATOM 227 N GLU A 15 -11.284 -10.418 0.822 1.00 0.00 N ATOM 228 CA GLU A 15 -10.438 -11.532 0.304 1.00 0.00 C ATOM 229 C GLU A 15 -9.538 -11.018 -0.821 1.00 0.00 C ATOM 230 O GLU A 15 -8.435 -11.490 -1.009 1.00 0.00 O ATOM 231 CB GLU A 15 -11.337 -12.648 -0.233 1.00 0.00 C ATOM 232 CG GLU A 15 -10.470 -13.755 -0.835 1.00 0.00 C ATOM 233 CD GLU A 15 -10.304 -14.886 0.184 1.00 0.00 C ATOM 234 OE1 GLU A 15 -9.469 -14.747 1.062 1.00 0.00 O ATOM 235 OE2 GLU A 15 -11.016 -15.869 0.069 1.00 0.00 O ATOM 0 H GLU A 15 -12.280 -10.498 0.616 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.818 -11.919 1.113 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.954 -13.051 0.570 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.016 -12.251 -0.988 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.930 -14.137 -1.746 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.495 -13.356 -1.114 1.00 0.00 H new ATOM 242 N ASP A 16 -9.998 -10.056 -1.573 1.00 0.00 N ATOM 243 CA ASP A 16 -9.164 -9.517 -2.684 1.00 0.00 C ATOM 244 C ASP A 16 -7.851 -8.974 -2.117 1.00 0.00 C ATOM 245 O ASP A 16 -6.799 -9.118 -2.708 1.00 0.00 O ATOM 246 CB ASP A 16 -9.919 -8.389 -3.388 1.00 0.00 C ATOM 247 CG ASP A 16 -9.162 -7.979 -4.654 1.00 0.00 C ATOM 248 OD1 ASP A 16 -8.663 -8.861 -5.333 1.00 0.00 O ATOM 249 OD2 ASP A 16 -9.096 -6.791 -4.922 1.00 0.00 O ATOM 0 H ASP A 16 -10.914 -9.620 -1.466 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.952 -10.313 -3.398 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -10.927 -8.716 -3.644 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -10.022 -7.534 -2.720 1.00 0.00 H new ATOM 254 N TYR A 17 -7.907 -8.350 -0.974 1.00 0.00 N ATOM 255 CA TYR A 17 -6.669 -7.793 -0.361 1.00 0.00 C ATOM 256 C TYR A 17 -5.707 -8.933 -0.015 1.00 0.00 C ATOM 257 O TYR A 17 -4.527 -8.870 -0.301 1.00 0.00 O ATOM 258 CB TYR A 17 -7.039 -7.032 0.914 1.00 0.00 C ATOM 259 CG TYR A 17 -5.813 -6.354 1.477 1.00 0.00 C ATOM 260 CD1 TYR A 17 -5.248 -5.259 0.810 1.00 0.00 C ATOM 261 CD2 TYR A 17 -5.244 -6.819 2.670 1.00 0.00 C ATOM 262 CE1 TYR A 17 -4.112 -4.628 1.336 1.00 0.00 C ATOM 263 CE2 TYR A 17 -4.108 -6.188 3.196 1.00 0.00 C ATOM 264 CZ TYR A 17 -3.543 -5.093 2.529 1.00 0.00 C ATOM 265 OH TYR A 17 -2.425 -4.472 3.048 1.00 0.00 O ATOM 0 H TYR A 17 -8.760 -8.201 -0.436 1.00 0.00 H new ATOM 0 HA TYR A 17 -6.185 -7.117 -1.066 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.808 -6.291 0.696 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.457 -7.719 1.650 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -5.688 -4.901 -0.109 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.680 -7.663 3.184 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -3.676 -3.784 0.822 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -3.668 -6.546 4.115 1.00 0.00 H new ATOM 0 HH TYR A 17 -2.159 -4.918 3.879 1.00 0.00 H new ATOM 275 N ARG A 18 -6.199 -9.972 0.601 1.00 0.00 N ATOM 276 CA ARG A 18 -5.313 -11.113 0.970 1.00 0.00 C ATOM 277 C ARG A 18 -4.808 -11.805 -0.299 1.00 0.00 C ATOM 278 O ARG A 18 -3.759 -12.418 -0.307 1.00 0.00 O ATOM 279 CB ARG A 18 -6.102 -12.114 1.820 1.00 0.00 C ATOM 280 CG ARG A 18 -5.241 -13.351 2.092 1.00 0.00 C ATOM 281 CD ARG A 18 -4.863 -13.396 3.573 1.00 0.00 C ATOM 282 NE ARG A 18 -3.382 -13.296 3.710 1.00 0.00 N ATOM 283 CZ ARG A 18 -2.660 -14.379 3.789 1.00 0.00 C ATOM 284 NH1 ARG A 18 -2.853 -15.223 4.766 1.00 0.00 N ATOM 285 NH2 ARG A 18 -1.742 -14.618 2.893 1.00 0.00 N ATOM 0 H ARG A 18 -7.178 -10.081 0.865 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.461 -10.741 1.540 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.399 -11.652 2.761 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.017 -12.403 1.303 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.787 -14.254 1.818 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.341 -13.323 1.477 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.345 -12.577 4.107 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.219 -14.323 4.022 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.933 -12.380 3.742 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.569 -15.035 5.468 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.288 -16.070 4.827 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.589 -13.958 2.131 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.177 -15.465 2.955 1.00 0.00 H new ATOM 299 N VAL A 19 -5.542 -11.712 -1.372 1.00 0.00 N ATOM 300 CA VAL A 19 -5.098 -12.368 -2.634 1.00 0.00 C ATOM 301 C VAL A 19 -3.878 -11.633 -3.192 1.00 0.00 C ATOM 302 O VAL A 19 -2.842 -12.224 -3.429 1.00 0.00 O ATOM 303 CB VAL A 19 -6.231 -12.326 -3.660 1.00 0.00 C ATOM 304 CG1 VAL A 19 -5.777 -13.011 -4.951 1.00 0.00 C ATOM 305 CG2 VAL A 19 -7.453 -13.060 -3.099 1.00 0.00 C ATOM 0 H VAL A 19 -6.429 -11.211 -1.430 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.834 -13.405 -2.428 1.00 0.00 H new ATOM 0 HB VAL A 19 -6.492 -11.289 -3.870 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -6.585 -12.981 -5.682 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.906 -12.492 -5.351 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.517 -14.048 -4.740 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.262 -13.031 -3.829 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -7.190 -14.097 -2.890 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.778 -12.575 -2.178 1.00 0.00 H new ATOM 315 N PHE A 20 -3.988 -10.351 -3.404 1.00 0.00 N ATOM 316 CA PHE A 20 -2.830 -9.588 -3.946 1.00 0.00 C ATOM 317 C PHE A 20 -1.619 -9.789 -3.034 1.00 0.00 C ATOM 318 O PHE A 20 -0.528 -10.067 -3.487 1.00 0.00 O ATOM 319 CB PHE A 20 -3.177 -8.098 -4.012 1.00 0.00 C ATOM 320 CG PHE A 20 -2.007 -7.335 -4.587 1.00 0.00 C ATOM 321 CD1 PHE A 20 -1.225 -7.908 -5.598 1.00 0.00 C ATOM 322 CD2 PHE A 20 -1.704 -6.053 -4.109 1.00 0.00 C ATOM 323 CE1 PHE A 20 -0.139 -7.200 -6.131 1.00 0.00 C ATOM 324 CE2 PHE A 20 -0.618 -5.346 -4.641 1.00 0.00 C ATOM 325 CZ PHE A 20 0.165 -5.919 -5.653 1.00 0.00 C ATOM 0 H PHE A 20 -4.828 -9.800 -3.226 1.00 0.00 H new ATOM 0 HA PHE A 20 -2.598 -9.948 -4.948 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -4.063 -7.947 -4.629 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.415 -7.724 -3.016 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.459 -8.896 -5.967 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -2.308 -5.610 -3.331 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.464 -7.642 -6.911 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.384 -4.359 -4.271 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.002 -5.373 -6.064 1.00 0.00 H new ATOM 335 N LEU A 21 -1.804 -9.653 -1.749 1.00 0.00 N ATOM 336 CA LEU A 21 -0.663 -9.840 -0.811 1.00 0.00 C ATOM 337 C LEU A 21 -0.058 -11.229 -1.024 1.00 0.00 C ATOM 338 O LEU A 21 1.142 -11.410 -0.963 1.00 0.00 O ATOM 339 CB LEU A 21 -1.160 -9.715 0.630 1.00 0.00 C ATOM 340 CG LEU A 21 0.013 -9.368 1.548 1.00 0.00 C ATOM 341 CD1 LEU A 21 0.408 -7.906 1.338 1.00 0.00 C ATOM 342 CD2 LEU A 21 -0.402 -9.580 3.006 1.00 0.00 C ATOM 0 H LEU A 21 -2.695 -9.421 -1.310 1.00 0.00 H new ATOM 0 HA LEU A 21 0.094 -9.078 -0.999 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.927 -8.943 0.695 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.621 -10.650 0.949 1.00 0.00 H new ATOM 0 HG LEU A 21 0.862 -10.011 1.314 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.244 -7.657 1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.702 -7.754 0.299 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.440 -7.263 1.573 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.433 -9.333 3.662 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.250 -8.936 3.240 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.685 -10.622 3.156 1.00 0.00 H new ATOM 354 N GLU A 22 -0.880 -12.209 -1.277 1.00 0.00 N ATOM 355 CA GLU A 22 -0.356 -13.585 -1.498 1.00 0.00 C ATOM 356 C GLU A 22 0.515 -13.597 -2.755 1.00 0.00 C ATOM 357 O GLU A 22 1.512 -14.287 -2.825 1.00 0.00 O ATOM 358 CB GLU A 22 -1.528 -14.554 -1.676 1.00 0.00 C ATOM 359 CG GLU A 22 -1.012 -15.890 -2.212 1.00 0.00 C ATOM 360 CD GLU A 22 -1.385 -16.027 -3.689 1.00 0.00 C ATOM 361 OE1 GLU A 22 -2.457 -16.537 -3.965 1.00 0.00 O ATOM 362 OE2 GLU A 22 -0.590 -15.616 -4.519 1.00 0.00 O ATOM 0 H GLU A 22 -1.894 -12.116 -1.340 1.00 0.00 H new ATOM 0 HA GLU A 22 0.240 -13.893 -0.639 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.036 -14.705 -0.724 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.260 -14.133 -2.365 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.070 -15.948 -2.093 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.441 -16.713 -1.640 1.00 0.00 H new ATOM 369 N ARG A 23 0.146 -12.834 -3.749 1.00 0.00 N ATOM 370 CA ARG A 23 0.953 -12.798 -5.000 1.00 0.00 C ATOM 371 C ARG A 23 2.254 -12.035 -4.741 1.00 0.00 C ATOM 372 O ARG A 23 3.265 -12.281 -5.370 1.00 0.00 O ATOM 373 CB ARG A 23 0.158 -12.092 -6.102 1.00 0.00 C ATOM 374 CG ARG A 23 -1.222 -12.740 -6.232 1.00 0.00 C ATOM 375 CD ARG A 23 -1.541 -12.979 -7.709 1.00 0.00 C ATOM 376 NE ARG A 23 -1.108 -11.799 -8.510 1.00 0.00 N ATOM 377 CZ ARG A 23 -0.930 -11.915 -9.798 1.00 0.00 C ATOM 378 NH1 ARG A 23 -1.369 -12.972 -10.426 1.00 0.00 N ATOM 379 NH2 ARG A 23 -0.315 -10.974 -10.460 1.00 0.00 N ATOM 0 H ARG A 23 -0.679 -12.235 -3.747 1.00 0.00 H new ATOM 0 HA ARG A 23 1.183 -13.816 -5.315 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.053 -11.033 -5.868 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.693 -12.157 -7.050 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.244 -13.684 -5.688 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.980 -12.097 -5.785 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.033 -13.877 -8.061 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.610 -13.147 -7.838 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.951 -10.901 -8.052 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.851 -13.708 -9.910 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.230 -13.062 -11.432 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.027 -10.147 -9.971 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.176 -11.066 -11.466 1.00 0.00 H new ATOM 393 N LEU A 24 2.237 -11.112 -3.820 1.00 0.00 N ATOM 394 CA LEU A 24 3.472 -10.333 -3.520 1.00 0.00 C ATOM 395 C LEU A 24 4.470 -11.226 -2.780 1.00 0.00 C ATOM 396 O LEU A 24 5.668 -11.053 -2.882 1.00 0.00 O ATOM 397 CB LEU A 24 3.117 -9.132 -2.640 1.00 0.00 C ATOM 398 CG LEU A 24 2.992 -7.880 -3.509 1.00 0.00 C ATOM 399 CD1 LEU A 24 1.727 -7.113 -3.120 1.00 0.00 C ATOM 400 CD2 LEU A 24 4.216 -6.985 -3.290 1.00 0.00 C ATOM 0 H LEU A 24 1.421 -10.863 -3.261 1.00 0.00 H new ATOM 0 HA LEU A 24 3.916 -9.983 -4.452 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.180 -9.317 -2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.885 -8.985 -1.881 1.00 0.00 H new ATOM 0 HG LEU A 24 2.934 -8.170 -4.558 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.638 -6.220 -3.739 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.855 -7.749 -3.272 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.786 -6.822 -2.071 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.129 -6.092 -3.909 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.272 -6.696 -2.241 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.119 -7.530 -3.565 1.00 0.00 H new ATOM 412 N GLU A 25 3.984 -12.178 -2.032 1.00 0.00 N ATOM 413 CA GLU A 25 4.903 -13.080 -1.285 1.00 0.00 C ATOM 414 C GLU A 25 5.555 -14.066 -2.258 1.00 0.00 C ATOM 415 O GLU A 25 6.730 -14.356 -2.167 1.00 0.00 O ATOM 416 CB GLU A 25 4.111 -13.855 -0.230 1.00 0.00 C ATOM 417 CG GLU A 25 5.030 -14.211 0.940 1.00 0.00 C ATOM 418 CD GLU A 25 5.003 -15.724 1.168 1.00 0.00 C ATOM 419 OE1 GLU A 25 3.921 -16.255 1.358 1.00 0.00 O ATOM 420 OE2 GLU A 25 6.064 -16.325 1.148 1.00 0.00 O ATOM 0 H GLU A 25 2.990 -12.370 -1.906 1.00 0.00 H new ATOM 0 HA GLU A 25 5.676 -12.486 -0.797 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.272 -13.256 0.123 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.694 -14.762 -0.667 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.048 -13.882 0.730 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.707 -13.691 1.842 1.00 0.00 H new ATOM 427 N GLN A 26 4.799 -14.583 -3.186 1.00 0.00 N ATOM 428 CA GLN A 26 5.377 -15.550 -4.162 1.00 0.00 C ATOM 429 C GLN A 26 6.566 -14.903 -4.875 1.00 0.00 C ATOM 430 O GLN A 26 7.389 -15.576 -5.464 1.00 0.00 O ATOM 431 CB GLN A 26 4.312 -15.936 -5.191 1.00 0.00 C ATOM 432 CG GLN A 26 4.015 -17.433 -5.078 1.00 0.00 C ATOM 433 CD GLN A 26 2.520 -17.641 -4.831 1.00 0.00 C ATOM 434 OE1 GLN A 26 1.729 -17.606 -5.753 1.00 0.00 O ATOM 435 NE2 GLN A 26 2.097 -17.857 -3.616 1.00 0.00 N ATOM 0 H GLN A 26 3.808 -14.379 -3.311 1.00 0.00 H new ATOM 0 HA GLN A 26 5.711 -16.443 -3.635 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.402 -15.360 -5.023 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.659 -15.698 -6.197 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.318 -17.944 -5.992 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.593 -17.868 -4.263 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.761 -17.886 -2.842 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.102 -17.997 -3.440 1.00 0.00 H new ATOM 444 N SER A 27 6.665 -13.603 -4.825 1.00 0.00 N ATOM 445 CA SER A 27 7.803 -12.918 -5.499 1.00 0.00 C ATOM 446 C SER A 27 9.122 -13.422 -4.909 1.00 0.00 C ATOM 447 O SER A 27 9.920 -14.038 -5.585 1.00 0.00 O ATOM 448 CB SER A 27 7.692 -11.408 -5.282 1.00 0.00 C ATOM 449 OG SER A 27 7.950 -10.737 -6.509 1.00 0.00 O ATOM 0 H SER A 27 6.008 -12.986 -4.347 1.00 0.00 H new ATOM 0 HA SER A 27 7.775 -13.134 -6.567 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.697 -11.154 -4.917 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.403 -11.085 -4.521 1.00 0.00 H new ATOM 0 HG SER A 27 7.878 -9.769 -6.374 1.00 0.00 H new ATOM 455 N GLY A 28 9.356 -13.166 -3.650 1.00 0.00 N ATOM 456 CA GLY A 28 10.621 -13.631 -3.016 1.00 0.00 C ATOM 457 C GLY A 28 11.416 -12.424 -2.513 1.00 0.00 C ATOM 458 O GLY A 28 12.349 -12.560 -1.746 1.00 0.00 O ATOM 0 H GLY A 28 8.725 -12.654 -3.034 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.399 -14.304 -2.188 1.00 0.00 H new ATOM 0 HA3 GLY A 28 11.214 -14.196 -3.735 1.00 0.00 H new ATOM 462 N LEU A 29 11.054 -11.245 -2.936 1.00 0.00 N ATOM 463 CA LEU A 29 11.790 -10.031 -2.481 1.00 0.00 C ATOM 464 C LEU A 29 11.356 -9.673 -1.059 1.00 0.00 C ATOM 465 O LEU A 29 10.432 -10.248 -0.519 1.00 0.00 O ATOM 466 CB LEU A 29 11.476 -8.864 -3.418 1.00 0.00 C ATOM 467 CG LEU A 29 12.546 -8.781 -4.507 1.00 0.00 C ATOM 468 CD1 LEU A 29 11.898 -9.006 -5.875 1.00 0.00 C ATOM 469 CD2 LEU A 29 13.200 -7.399 -4.474 1.00 0.00 C ATOM 0 H LEU A 29 10.280 -11.069 -3.577 1.00 0.00 H new ATOM 0 HA LEU A 29 12.862 -10.230 -2.494 1.00 0.00 H new ATOM 0 HB2 LEU A 29 10.493 -9.000 -3.869 1.00 0.00 H new ATOM 0 HB3 LEU A 29 11.442 -7.931 -2.855 1.00 0.00 H new ATOM 0 HG LEU A 29 13.303 -9.546 -4.333 1.00 0.00 H new ATOM 0 HD11 LEU A 29 12.660 -8.947 -6.652 1.00 0.00 H new ATOM 0 HD12 LEU A 29 11.431 -9.990 -5.899 1.00 0.00 H new ATOM 0 HD13 LEU A 29 11.141 -8.241 -6.050 1.00 0.00 H new ATOM 0 HD21 LEU A 29 13.963 -7.339 -5.250 1.00 0.00 H new ATOM 0 HD22 LEU A 29 12.443 -6.634 -4.649 1.00 0.00 H new ATOM 0 HD23 LEU A 29 13.660 -7.238 -3.499 1.00 0.00 H new ATOM 481 N GLU A 30 12.015 -8.726 -0.450 1.00 0.00 N ATOM 482 CA GLU A 30 11.640 -8.332 0.936 1.00 0.00 C ATOM 483 C GLU A 30 11.386 -6.825 0.986 1.00 0.00 C ATOM 484 O GLU A 30 12.282 -6.027 0.800 1.00 0.00 O ATOM 485 CB GLU A 30 12.778 -8.691 1.893 1.00 0.00 C ATOM 486 CG GLU A 30 12.870 -10.211 2.029 1.00 0.00 C ATOM 487 CD GLU A 30 14.308 -10.609 2.368 1.00 0.00 C ATOM 488 OE1 GLU A 30 14.798 -10.168 3.394 1.00 0.00 O ATOM 489 OE2 GLU A 30 14.896 -11.349 1.595 1.00 0.00 O ATOM 0 H GLU A 30 12.796 -8.209 -0.852 1.00 0.00 H new ATOM 0 HA GLU A 30 10.735 -8.862 1.233 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.721 -8.291 1.520 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.603 -8.238 2.869 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.192 -10.558 2.809 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.559 -10.689 1.100 1.00 0.00 H new ATOM 496 N TRP A 31 10.168 -6.430 1.238 1.00 0.00 N ATOM 497 CA TRP A 31 9.855 -4.975 1.302 1.00 0.00 C ATOM 498 C TRP A 31 9.149 -4.663 2.623 1.00 0.00 C ATOM 499 O TRP A 31 8.519 -5.515 3.217 1.00 0.00 O ATOM 500 CB TRP A 31 8.944 -4.596 0.132 1.00 0.00 C ATOM 501 CG TRP A 31 7.765 -5.514 0.097 1.00 0.00 C ATOM 502 CD1 TRP A 31 7.689 -6.654 -0.630 1.00 0.00 C ATOM 503 CD2 TRP A 31 6.496 -5.394 0.804 1.00 0.00 C ATOM 504 NE1 TRP A 31 6.454 -7.239 -0.415 1.00 0.00 N ATOM 505 CE2 TRP A 31 5.684 -6.501 0.461 1.00 0.00 C ATOM 506 CE3 TRP A 31 5.976 -4.441 1.700 1.00 0.00 C ATOM 507 CZ2 TRP A 31 4.400 -6.657 0.989 1.00 0.00 C ATOM 508 CZ3 TRP A 31 4.684 -4.594 2.234 1.00 0.00 C ATOM 509 CH2 TRP A 31 3.899 -5.701 1.878 1.00 0.00 C ATOM 0 H TRP A 31 9.377 -7.052 1.402 1.00 0.00 H new ATOM 0 HA TRP A 31 10.780 -4.401 1.241 1.00 0.00 H new ATOM 0 HB2 TRP A 31 8.611 -3.564 0.237 1.00 0.00 H new ATOM 0 HB3 TRP A 31 9.495 -4.659 -0.806 1.00 0.00 H new ATOM 0 HD1 TRP A 31 8.465 -7.043 -1.272 1.00 0.00 H new ATOM 0 HE1 TRP A 31 6.150 -8.110 -0.851 1.00 0.00 H new ATOM 0 HE3 TRP A 31 6.574 -3.586 1.979 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 3.798 -7.510 0.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 4.295 -3.857 2.921 1.00 0.00 H new ATOM 0 HH2 TRP A 31 2.907 -5.815 2.291 1.00 0.00 H new ATOM 520 N ARG A 32 9.247 -3.447 3.086 1.00 0.00 N ATOM 521 CA ARG A 32 8.580 -3.083 4.368 1.00 0.00 C ATOM 522 C ARG A 32 7.495 -2.036 4.095 1.00 0.00 C ATOM 523 O ARG A 32 7.615 -1.246 3.181 1.00 0.00 O ATOM 524 CB ARG A 32 9.612 -2.507 5.342 1.00 0.00 C ATOM 525 CG ARG A 32 10.979 -3.145 5.083 1.00 0.00 C ATOM 526 CD ARG A 32 10.955 -4.609 5.527 1.00 0.00 C ATOM 527 NE ARG A 32 12.340 -5.159 5.486 1.00 0.00 N ATOM 528 CZ ARG A 32 12.556 -6.411 5.786 1.00 0.00 C ATOM 529 NH1 ARG A 32 11.609 -7.295 5.624 1.00 0.00 N ATOM 530 NH2 ARG A 32 13.719 -6.781 6.248 1.00 0.00 N ATOM 0 H ARG A 32 9.759 -2.691 2.633 1.00 0.00 H new ATOM 0 HA ARG A 32 8.129 -3.973 4.807 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.676 -1.426 5.221 1.00 0.00 H new ATOM 0 HB3 ARG A 32 9.301 -2.695 6.370 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.227 -3.080 4.024 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.753 -2.603 5.626 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.550 -4.688 6.536 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.302 -5.188 4.874 1.00 0.00 H new ATOM 0 HE ARG A 32 13.120 -4.556 5.223 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.699 -7.008 5.263 1.00 0.00 H new ATOM 0 HH12 ARG A 32 11.779 -8.273 5.859 1.00 0.00 H new ATOM 0 HH21 ARG A 32 14.460 -6.092 6.375 1.00 0.00 H new ATOM 0 HH22 ARG A 32 13.887 -7.759 6.482 1.00 0.00 H new ATOM 544 N PRO A 33 6.463 -2.070 4.899 1.00 0.00 N ATOM 545 CA PRO A 33 5.329 -1.137 4.774 1.00 0.00 C ATOM 546 C PRO A 33 5.687 0.231 5.361 1.00 0.00 C ATOM 547 O PRO A 33 6.370 0.331 6.362 1.00 0.00 O ATOM 548 CB PRO A 33 4.221 -1.811 5.589 1.00 0.00 C ATOM 549 CG PRO A 33 4.928 -2.767 6.581 1.00 0.00 C ATOM 550 CD PRO A 33 6.331 -3.039 6.006 1.00 0.00 C ATOM 0 HA PRO A 33 5.040 -0.951 3.740 1.00 0.00 H new ATOM 0 HB2 PRO A 33 3.625 -1.070 6.122 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.540 -2.360 4.939 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.996 -2.317 7.571 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.367 -3.695 6.691 1.00 0.00 H new ATOM 0 HD2 PRO A 33 7.105 -2.892 6.759 1.00 0.00 H new ATOM 0 HD3 PRO A 33 6.424 -4.065 5.650 1.00 0.00 H new ATOM 558 N ALA A 34 5.229 1.288 4.745 1.00 0.00 N ATOM 559 CA ALA A 34 5.537 2.650 5.265 1.00 0.00 C ATOM 560 C ALA A 34 4.275 3.511 5.210 1.00 0.00 C ATOM 561 O ALA A 34 3.181 3.015 5.023 1.00 0.00 O ATOM 562 CB ALA A 34 6.629 3.290 4.405 1.00 0.00 C ATOM 0 H ALA A 34 4.654 1.266 3.903 1.00 0.00 H new ATOM 0 HA ALA A 34 5.884 2.577 6.296 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.854 4.286 4.785 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.528 2.675 4.442 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.283 3.365 3.374 1.00 0.00 H new ATOM 568 N THR A 35 4.416 4.798 5.370 1.00 0.00 N ATOM 569 CA THR A 35 3.222 5.690 5.326 1.00 0.00 C ATOM 570 C THR A 35 2.838 5.954 3.867 1.00 0.00 C ATOM 571 O THR A 35 3.611 5.696 2.967 1.00 0.00 O ATOM 572 CB THR A 35 3.553 7.017 6.015 1.00 0.00 C ATOM 573 OG1 THR A 35 4.957 7.229 5.981 1.00 0.00 O ATOM 574 CG2 THR A 35 3.076 6.973 7.467 1.00 0.00 C ATOM 0 H THR A 35 5.306 5.271 5.529 1.00 0.00 H new ATOM 0 HA THR A 35 2.389 5.211 5.840 1.00 0.00 H new ATOM 0 HB THR A 35 3.050 7.832 5.495 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.170 8.079 6.420 1.00 0.00 H new ATOM 0 HG21 THR A 35 3.312 7.918 7.956 1.00 0.00 H new ATOM 0 HG22 THR A 35 1.998 6.811 7.491 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.577 6.158 7.990 1.00 0.00 H new ATOM 582 N PRO A 36 1.648 6.466 3.680 1.00 0.00 N ATOM 583 CA PRO A 36 1.122 6.782 2.341 1.00 0.00 C ATOM 584 C PRO A 36 1.737 8.085 1.820 1.00 0.00 C ATOM 585 O PRO A 36 1.505 8.487 0.697 1.00 0.00 O ATOM 586 CB PRO A 36 -0.382 6.939 2.574 1.00 0.00 C ATOM 587 CG PRO A 36 -0.561 7.262 4.076 1.00 0.00 C ATOM 588 CD PRO A 36 0.717 6.775 4.785 1.00 0.00 C ATOM 0 HA PRO A 36 1.354 6.020 1.597 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -0.790 7.737 1.954 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.914 6.026 2.307 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.705 8.332 4.228 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -1.442 6.762 4.478 1.00 0.00 H new ATOM 0 HD2 PRO A 36 1.123 7.541 5.445 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.522 5.896 5.399 1.00 0.00 H new ATOM 596 N GLU A 37 2.522 8.745 2.627 1.00 0.00 N ATOM 597 CA GLU A 37 3.154 10.019 2.180 1.00 0.00 C ATOM 598 C GLU A 37 4.676 9.857 2.187 1.00 0.00 C ATOM 599 O GLU A 37 5.369 10.366 1.329 1.00 0.00 O ATOM 600 CB GLU A 37 2.755 11.148 3.131 1.00 0.00 C ATOM 601 CG GLU A 37 3.533 12.416 2.775 1.00 0.00 C ATOM 602 CD GLU A 37 3.256 13.495 3.823 1.00 0.00 C ATOM 603 OE1 GLU A 37 3.560 13.260 4.981 1.00 0.00 O ATOM 604 OE2 GLU A 37 2.744 14.538 3.450 1.00 0.00 O ATOM 0 H GLU A 37 2.753 8.457 3.578 1.00 0.00 H new ATOM 0 HA GLU A 37 2.817 10.261 1.172 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.683 11.335 3.061 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.962 10.859 4.162 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.601 12.201 2.733 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.240 12.770 1.787 1.00 0.00 H new ATOM 611 N ASP A 38 5.200 9.149 3.150 1.00 0.00 N ATOM 612 CA ASP A 38 6.675 8.948 3.214 1.00 0.00 C ATOM 613 C ASP A 38 7.013 7.538 2.726 1.00 0.00 C ATOM 614 O ASP A 38 7.942 6.913 3.198 1.00 0.00 O ATOM 615 CB ASP A 38 7.150 9.114 4.659 1.00 0.00 C ATOM 616 CG ASP A 38 8.407 9.984 4.689 1.00 0.00 C ATOM 617 OD1 ASP A 38 8.387 11.042 4.081 1.00 0.00 O ATOM 618 OD2 ASP A 38 9.370 9.580 5.321 1.00 0.00 O ATOM 0 H ASP A 38 4.669 8.700 3.896 1.00 0.00 H new ATOM 0 HA ASP A 38 7.172 9.684 2.582 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.364 9.572 5.260 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.360 8.139 5.098 1.00 0.00 H new ATOM 623 N ALA A 39 6.263 7.030 1.787 1.00 0.00 N ATOM 624 CA ALA A 39 6.536 5.659 1.271 1.00 0.00 C ATOM 625 C ALA A 39 7.255 5.747 -0.075 1.00 0.00 C ATOM 626 O ALA A 39 6.978 6.611 -0.884 1.00 0.00 O ATOM 627 CB ALA A 39 5.211 4.914 1.090 1.00 0.00 C ATOM 0 H ALA A 39 5.472 7.506 1.354 1.00 0.00 H new ATOM 0 HA ALA A 39 7.166 5.124 1.982 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.407 3.910 0.713 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.697 4.847 2.049 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.585 5.453 0.379 1.00 0.00 H new ATOM 633 N ASP A 40 8.177 4.857 -0.323 1.00 0.00 N ATOM 634 CA ASP A 40 8.910 4.887 -1.619 1.00 0.00 C ATOM 635 C ASP A 40 7.934 4.571 -2.752 1.00 0.00 C ATOM 636 O ASP A 40 8.039 5.098 -3.842 1.00 0.00 O ATOM 637 CB ASP A 40 10.027 3.840 -1.598 1.00 0.00 C ATOM 638 CG ASP A 40 11.375 4.526 -1.831 1.00 0.00 C ATOM 639 OD1 ASP A 40 11.469 5.710 -1.556 1.00 0.00 O ATOM 640 OD2 ASP A 40 12.289 3.854 -2.280 1.00 0.00 O ATOM 0 H ASP A 40 8.454 4.111 0.316 1.00 0.00 H new ATOM 0 HA ASP A 40 9.345 5.874 -1.774 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.033 3.319 -0.641 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.851 3.090 -2.369 1.00 0.00 H new ATOM 645 N ALA A 41 6.982 3.715 -2.500 1.00 0.00 N ATOM 646 CA ALA A 41 5.992 3.366 -3.561 1.00 0.00 C ATOM 647 C ALA A 41 4.600 3.250 -2.936 1.00 0.00 C ATOM 648 O ALA A 41 4.346 2.389 -2.118 1.00 0.00 O ATOM 649 CB ALA A 41 6.378 2.031 -4.201 1.00 0.00 C ATOM 0 H ALA A 41 6.846 3.242 -1.607 1.00 0.00 H new ATOM 0 HA ALA A 41 5.986 4.144 -4.324 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.655 1.776 -4.976 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.371 2.113 -4.644 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.384 1.251 -3.440 1.00 0.00 H new ATOM 655 N VAL A 42 3.697 4.115 -3.312 1.00 0.00 N ATOM 656 CA VAL A 42 2.324 4.054 -2.735 1.00 0.00 C ATOM 657 C VAL A 42 1.440 3.157 -3.604 1.00 0.00 C ATOM 658 O VAL A 42 0.943 3.572 -4.633 1.00 0.00 O ATOM 659 CB VAL A 42 1.726 5.460 -2.685 1.00 0.00 C ATOM 660 CG1 VAL A 42 0.258 5.373 -2.260 1.00 0.00 C ATOM 661 CG2 VAL A 42 2.498 6.309 -1.673 1.00 0.00 C ATOM 0 H VAL A 42 3.850 4.859 -3.992 1.00 0.00 H new ATOM 0 HA VAL A 42 2.376 3.644 -1.726 1.00 0.00 H new ATOM 0 HB VAL A 42 1.795 5.919 -3.671 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.170 6.375 -2.224 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.294 4.768 -2.980 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.191 4.914 -1.274 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.071 7.311 -1.638 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.430 5.851 -0.686 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.544 6.371 -1.973 1.00 0.00 H new ATOM 671 N ILE A 43 1.233 1.936 -3.196 1.00 0.00 N ATOM 672 CA ILE A 43 0.374 1.019 -3.998 1.00 0.00 C ATOM 673 C ILE A 43 -1.068 1.110 -3.495 1.00 0.00 C ATOM 674 O ILE A 43 -1.427 0.517 -2.497 1.00 0.00 O ATOM 675 CB ILE A 43 0.878 -0.419 -3.845 1.00 0.00 C ATOM 676 CG1 ILE A 43 2.213 -0.571 -4.578 1.00 0.00 C ATOM 677 CG2 ILE A 43 -0.145 -1.384 -4.446 1.00 0.00 C ATOM 678 CD1 ILE A 43 3.006 -1.723 -3.957 1.00 0.00 C ATOM 0 H ILE A 43 1.621 1.533 -2.343 1.00 0.00 H new ATOM 0 HA ILE A 43 0.414 1.306 -5.049 1.00 0.00 H new ATOM 0 HB ILE A 43 1.015 -0.646 -2.788 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.039 -0.764 -5.637 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.784 0.355 -4.512 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.213 -2.408 -4.337 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.097 -1.275 -3.926 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.281 -1.157 -5.503 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.957 -1.832 -4.478 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.191 -1.511 -2.904 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.435 -2.647 -4.046 1.00 0.00 H new ATOM 690 N VAL A 44 -1.897 1.855 -4.175 1.00 0.00 N ATOM 691 CA VAL A 44 -3.314 1.990 -3.734 1.00 0.00 C ATOM 692 C VAL A 44 -4.164 0.902 -4.393 1.00 0.00 C ATOM 693 O VAL A 44 -4.052 0.646 -5.574 1.00 0.00 O ATOM 694 CB VAL A 44 -3.843 3.366 -4.142 1.00 0.00 C ATOM 695 CG1 VAL A 44 -5.215 3.596 -3.506 1.00 0.00 C ATOM 696 CG2 VAL A 44 -2.871 4.446 -3.663 1.00 0.00 C ATOM 0 H VAL A 44 -1.654 2.376 -5.017 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.368 1.883 -2.651 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.935 3.413 -5.227 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.591 4.577 -3.797 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.907 2.826 -3.846 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.125 3.549 -2.421 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.246 5.428 -3.953 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.780 4.398 -2.578 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.893 4.283 -4.117 1.00 0.00 H new ATOM 706 N LEU A 45 -5.016 0.262 -3.641 1.00 0.00 N ATOM 707 CA LEU A 45 -5.876 -0.805 -4.227 1.00 0.00 C ATOM 708 C LEU A 45 -7.175 -0.185 -4.743 1.00 0.00 C ATOM 709 O LEU A 45 -7.888 0.477 -4.015 1.00 0.00 O ATOM 710 CB LEU A 45 -6.198 -1.848 -3.154 1.00 0.00 C ATOM 711 CG LEU A 45 -5.462 -3.151 -3.468 1.00 0.00 C ATOM 712 CD1 LEU A 45 -6.034 -3.769 -4.745 1.00 0.00 C ATOM 713 CD2 LEU A 45 -3.973 -2.858 -3.670 1.00 0.00 C ATOM 0 H LEU A 45 -5.154 0.432 -2.645 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.349 -1.285 -5.052 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.901 -1.478 -2.173 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.273 -2.026 -3.116 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.590 -3.847 -2.639 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.508 -4.698 -4.967 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.095 -3.977 -4.605 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.907 -3.073 -5.574 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.447 -3.786 -3.894 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.848 -2.161 -4.499 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.562 -2.418 -2.761 1.00 0.00 H new ATOM 725 N ALA A 46 -7.491 -0.391 -5.993 1.00 0.00 N ATOM 726 CA ALA A 46 -8.746 0.193 -6.547 1.00 0.00 C ATOM 727 C ALA A 46 -9.876 -0.835 -6.451 1.00 0.00 C ATOM 728 O ALA A 46 -10.997 -0.574 -6.840 1.00 0.00 O ATOM 729 CB ALA A 46 -8.525 0.577 -8.011 1.00 0.00 C ATOM 0 H ALA A 46 -6.936 -0.937 -6.653 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.017 1.081 -5.976 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.442 1.004 -8.417 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.722 1.311 -8.077 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.253 -0.310 -8.583 1.00 0.00 H new ATOM 735 N GLY A 47 -9.594 -1.998 -5.933 1.00 0.00 N ATOM 736 CA GLY A 47 -10.657 -3.036 -5.812 1.00 0.00 C ATOM 737 C GLY A 47 -11.689 -2.587 -4.776 1.00 0.00 C ATOM 738 O GLY A 47 -12.866 -2.866 -4.896 1.00 0.00 O ATOM 0 H GLY A 47 -8.675 -2.275 -5.588 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.139 -3.193 -6.777 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.218 -3.989 -5.516 1.00 0.00 H new ATOM 742 N LEU A 48 -11.257 -1.892 -3.759 1.00 0.00 N ATOM 743 CA LEU A 48 -12.213 -1.424 -2.715 1.00 0.00 C ATOM 744 C LEU A 48 -13.032 -0.252 -3.261 1.00 0.00 C ATOM 745 O LEU A 48 -14.153 -0.416 -3.700 1.00 0.00 O ATOM 746 CB LEU A 48 -11.434 -0.967 -1.480 1.00 0.00 C ATOM 747 CG LEU A 48 -11.043 -2.185 -0.642 1.00 0.00 C ATOM 748 CD1 LEU A 48 -9.520 -2.248 -0.510 1.00 0.00 C ATOM 749 CD2 LEU A 48 -11.669 -2.066 0.749 1.00 0.00 C ATOM 0 H LEU A 48 -10.284 -1.628 -3.606 1.00 0.00 H new ATOM 0 HA LEU A 48 -12.882 -2.240 -2.443 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.542 -0.419 -1.782 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -12.041 -0.284 -0.886 1.00 0.00 H new ATOM 0 HG LEU A 48 -11.403 -3.091 -1.129 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.242 -3.116 0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.072 -2.330 -1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.159 -1.342 -0.023 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -11.392 -2.933 1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.308 -1.159 1.234 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.754 -2.021 0.657 1.00 0.00 H new ATOM 761 N TRP A 49 -12.481 0.931 -3.237 1.00 0.00 N ATOM 762 CA TRP A 49 -13.224 2.114 -3.755 1.00 0.00 C ATOM 763 C TRP A 49 -14.635 2.142 -3.162 1.00 0.00 C ATOM 764 O TRP A 49 -15.537 2.743 -3.710 1.00 0.00 O ATOM 765 CB TRP A 49 -13.320 2.026 -5.276 1.00 0.00 C ATOM 766 CG TRP A 49 -12.977 3.352 -5.873 1.00 0.00 C ATOM 767 CD1 TRP A 49 -13.590 4.520 -5.574 1.00 0.00 C ATOM 768 CD2 TRP A 49 -11.953 3.669 -6.860 1.00 0.00 C ATOM 769 NE1 TRP A 49 -13.009 5.533 -6.314 1.00 0.00 N ATOM 770 CE2 TRP A 49 -11.995 5.058 -7.122 1.00 0.00 C ATOM 771 CE3 TRP A 49 -11.002 2.890 -7.547 1.00 0.00 C ATOM 772 CZ2 TRP A 49 -11.123 5.655 -8.033 1.00 0.00 C ATOM 773 CZ3 TRP A 49 -10.122 3.488 -8.465 1.00 0.00 C ATOM 774 CH2 TRP A 49 -10.183 4.868 -8.708 1.00 0.00 C ATOM 0 H TRP A 49 -11.546 1.129 -2.880 1.00 0.00 H new ATOM 0 HA TRP A 49 -12.694 3.023 -3.470 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -12.641 1.260 -5.650 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -14.327 1.731 -5.571 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -14.401 4.642 -4.872 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -13.294 6.511 -6.269 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -10.949 1.826 -7.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -11.173 6.718 -8.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -9.395 2.882 -8.986 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -9.505 5.323 -9.415 1.00 0.00 H new ATOM 785 N GLY A 50 -14.833 1.499 -2.046 1.00 0.00 N ATOM 786 CA GLY A 50 -16.185 1.491 -1.420 1.00 0.00 C ATOM 787 C GLY A 50 -16.116 2.156 -0.045 1.00 0.00 C ATOM 788 O GLY A 50 -16.479 3.304 0.120 1.00 0.00 O ATOM 0 H GLY A 50 -14.117 0.978 -1.540 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -16.895 2.020 -2.056 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -16.546 0.467 -1.323 1.00 0.00 H new ATOM 792 N THR A 51 -15.654 1.442 0.944 1.00 0.00 N ATOM 793 CA THR A 51 -15.561 2.029 2.309 1.00 0.00 C ATOM 794 C THR A 51 -14.214 2.735 2.466 1.00 0.00 C ATOM 795 O THR A 51 -14.071 3.661 3.240 1.00 0.00 O ATOM 796 CB THR A 51 -15.674 0.912 3.348 1.00 0.00 C ATOM 797 OG1 THR A 51 -15.595 1.468 4.653 1.00 0.00 O ATOM 798 CG2 THR A 51 -14.539 -0.092 3.149 1.00 0.00 C ATOM 0 H THR A 51 -15.337 0.476 0.865 1.00 0.00 H new ATOM 0 HA THR A 51 -16.368 2.747 2.455 1.00 0.00 H new ATOM 0 HB THR A 51 -16.630 0.403 3.228 1.00 0.00 H new ATOM 0 HG1 THR A 51 -15.669 0.752 5.318 1.00 0.00 H new ATOM 0 HG21 THR A 51 -14.622 -0.887 3.891 1.00 0.00 H new ATOM 0 HG22 THR A 51 -14.604 -0.521 2.149 1.00 0.00 H new ATOM 0 HG23 THR A 51 -13.581 0.414 3.265 1.00 0.00 H new ATOM 806 N ARG A 52 -13.224 2.301 1.738 1.00 0.00 N ATOM 807 CA ARG A 52 -11.882 2.941 1.842 1.00 0.00 C ATOM 808 C ARG A 52 -11.748 4.039 0.783 1.00 0.00 C ATOM 809 O ARG A 52 -10.681 4.274 0.254 1.00 0.00 O ATOM 810 CB ARG A 52 -10.797 1.885 1.620 1.00 0.00 C ATOM 811 CG ARG A 52 -10.056 1.631 2.934 1.00 0.00 C ATOM 812 CD ARG A 52 -10.671 0.422 3.642 1.00 0.00 C ATOM 813 NE ARG A 52 -10.757 0.693 5.105 1.00 0.00 N ATOM 814 CZ ARG A 52 -9.779 1.309 5.712 1.00 0.00 C ATOM 815 NH1 ARG A 52 -8.724 0.640 6.092 1.00 0.00 N ATOM 816 NH2 ARG A 52 -9.857 2.590 5.940 1.00 0.00 N ATOM 0 H ARG A 52 -13.286 1.529 1.074 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.768 3.381 2.833 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.244 0.959 1.258 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -10.098 2.222 0.855 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.999 1.452 2.739 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.118 2.511 3.574 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -11.664 0.218 3.240 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.065 -0.466 3.461 1.00 0.00 H new ATOM 0 HE ARG A 52 -11.579 0.397 5.631 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.665 -0.363 5.914 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.959 1.120 6.566 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.682 3.111 5.644 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.093 3.071 6.414 1.00 0.00 H new ATOM 830 N ARG A 53 -12.820 4.717 0.472 1.00 0.00 N ATOM 831 CA ARG A 53 -12.740 5.799 -0.550 1.00 0.00 C ATOM 832 C ARG A 53 -11.742 6.861 -0.084 1.00 0.00 C ATOM 833 O ARG A 53 -10.926 7.338 -0.847 1.00 0.00 O ATOM 834 CB ARG A 53 -14.117 6.439 -0.734 1.00 0.00 C ATOM 835 CG ARG A 53 -14.116 7.294 -2.004 1.00 0.00 C ATOM 836 CD ARG A 53 -15.225 8.345 -1.915 1.00 0.00 C ATOM 837 NE ARG A 53 -15.335 9.059 -3.219 1.00 0.00 N ATOM 838 CZ ARG A 53 -16.496 9.497 -3.627 1.00 0.00 C ATOM 839 NH1 ARG A 53 -17.277 8.721 -4.327 1.00 0.00 N ATOM 840 NH2 ARG A 53 -16.873 10.712 -3.336 1.00 0.00 N ATOM 0 H ARG A 53 -13.743 4.569 0.879 1.00 0.00 H new ATOM 0 HA ARG A 53 -12.411 5.377 -1.500 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -14.883 5.666 -0.803 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.363 7.054 0.132 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -13.148 7.781 -2.126 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -14.268 6.663 -2.880 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -16.174 7.869 -1.667 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -15.006 9.054 -1.117 1.00 0.00 H new ATOM 0 HE ARG A 53 -14.504 9.205 -3.792 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -16.981 7.772 -4.556 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -18.184 9.063 -4.645 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -16.261 11.319 -2.790 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -17.779 11.055 -3.654 1.00 0.00 H new ATOM 854 N ASP A 54 -11.801 7.231 1.166 1.00 0.00 N ATOM 855 CA ASP A 54 -10.853 8.259 1.682 1.00 0.00 C ATOM 856 C ASP A 54 -9.447 7.660 1.750 1.00 0.00 C ATOM 857 O ASP A 54 -8.459 8.369 1.767 1.00 0.00 O ATOM 858 CB ASP A 54 -11.287 8.698 3.082 1.00 0.00 C ATOM 859 CG ASP A 54 -12.770 9.076 3.062 1.00 0.00 C ATOM 860 OD1 ASP A 54 -13.591 8.173 3.024 1.00 0.00 O ATOM 861 OD2 ASP A 54 -13.059 10.260 3.084 1.00 0.00 O ATOM 0 H ASP A 54 -12.463 6.867 1.851 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.852 9.122 1.016 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -11.116 7.893 3.797 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.689 9.548 3.410 1.00 0.00 H new ATOM 866 N GLU A 55 -9.350 6.360 1.787 1.00 0.00 N ATOM 867 CA GLU A 55 -8.009 5.715 1.854 1.00 0.00 C ATOM 868 C GLU A 55 -7.312 5.847 0.499 1.00 0.00 C ATOM 869 O GLU A 55 -6.140 6.162 0.421 1.00 0.00 O ATOM 870 CB GLU A 55 -8.173 4.235 2.203 1.00 0.00 C ATOM 871 CG GLU A 55 -7.595 3.971 3.594 1.00 0.00 C ATOM 872 CD GLU A 55 -6.244 3.267 3.462 1.00 0.00 C ATOM 873 OE1 GLU A 55 -6.242 2.069 3.231 1.00 0.00 O ATOM 874 OE2 GLU A 55 -5.233 3.939 3.594 1.00 0.00 O ATOM 0 H GLU A 55 -10.141 5.717 1.774 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.407 6.204 2.620 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.227 3.959 2.177 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.664 3.617 1.463 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.476 4.910 4.134 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.282 3.355 4.174 1.00 0.00 H new ATOM 881 N ILE A 56 -8.022 5.613 -0.572 1.00 0.00 N ATOM 882 CA ILE A 56 -7.396 5.729 -1.919 1.00 0.00 C ATOM 883 C ILE A 56 -7.192 7.208 -2.256 1.00 0.00 C ATOM 884 O ILE A 56 -6.087 7.652 -2.502 1.00 0.00 O ATOM 885 CB ILE A 56 -8.310 5.080 -2.965 1.00 0.00 C ATOM 886 CG1 ILE A 56 -8.197 3.558 -2.861 1.00 0.00 C ATOM 887 CG2 ILE A 56 -7.887 5.524 -4.368 1.00 0.00 C ATOM 888 CD1 ILE A 56 -9.431 3.000 -2.147 1.00 0.00 C ATOM 0 H ILE A 56 -9.007 5.347 -0.572 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.432 5.221 -1.921 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.340 5.387 -2.784 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -8.111 3.121 -3.856 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.294 3.287 -2.314 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.539 5.061 -5.108 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.964 6.609 -4.445 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.857 5.219 -4.551 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -9.349 1.916 -2.073 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -9.497 3.428 -1.147 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -10.326 3.259 -2.712 1.00 0.00 H new ATOM 900 N LEU A 57 -8.247 7.974 -2.269 1.00 0.00 N ATOM 901 CA LEU A 57 -8.112 9.423 -2.590 1.00 0.00 C ATOM 902 C LEU A 57 -7.306 10.115 -1.489 1.00 0.00 C ATOM 903 O LEU A 57 -6.750 11.176 -1.688 1.00 0.00 O ATOM 904 CB LEU A 57 -9.502 10.055 -2.683 1.00 0.00 C ATOM 905 CG LEU A 57 -9.801 10.425 -4.136 1.00 0.00 C ATOM 906 CD1 LEU A 57 -10.246 9.176 -4.900 1.00 0.00 C ATOM 907 CD2 LEU A 57 -10.917 11.470 -4.175 1.00 0.00 C ATOM 0 H LEU A 57 -9.197 7.660 -2.071 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.597 9.540 -3.543 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.255 9.359 -2.312 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.552 10.943 -2.053 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.903 10.833 -4.599 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.459 9.440 -5.936 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.452 8.430 -4.872 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.144 8.767 -4.437 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -11.131 11.735 -5.210 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -11.815 11.061 -3.712 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -10.601 12.360 -3.631 1.00 0.00 H new ATOM 919 N GLY A 58 -7.238 9.522 -0.328 1.00 0.00 N ATOM 920 CA GLY A 58 -6.467 10.147 0.783 1.00 0.00 C ATOM 921 C GLY A 58 -4.969 9.992 0.513 1.00 0.00 C ATOM 922 O GLY A 58 -4.234 10.957 0.465 1.00 0.00 O ATOM 0 H GLY A 58 -7.683 8.632 -0.101 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.725 11.203 0.870 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.727 9.676 1.731 1.00 0.00 H new ATOM 926 N ALA A 59 -4.513 8.782 0.334 1.00 0.00 N ATOM 927 CA ALA A 59 -3.064 8.567 0.064 1.00 0.00 C ATOM 928 C ALA A 59 -2.656 9.365 -1.175 1.00 0.00 C ATOM 929 O ALA A 59 -1.589 9.942 -1.232 1.00 0.00 O ATOM 930 CB ALA A 59 -2.805 7.079 -0.182 1.00 0.00 C ATOM 0 H ALA A 59 -5.080 7.935 0.363 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.481 8.900 0.922 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.745 6.922 -0.380 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.098 6.508 0.699 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.387 6.745 -1.041 1.00 0.00 H new ATOM 936 N VAL A 60 -3.500 9.399 -2.170 1.00 0.00 N ATOM 937 CA VAL A 60 -3.164 10.158 -3.408 1.00 0.00 C ATOM 938 C VAL A 60 -3.027 11.645 -3.075 1.00 0.00 C ATOM 939 O VAL A 60 -2.100 12.305 -3.505 1.00 0.00 O ATOM 940 CB VAL A 60 -4.276 9.962 -4.438 1.00 0.00 C ATOM 941 CG1 VAL A 60 -4.001 10.838 -5.662 1.00 0.00 C ATOM 942 CG2 VAL A 60 -4.322 8.493 -4.865 1.00 0.00 C ATOM 0 H VAL A 60 -4.408 8.934 -2.179 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.222 9.793 -3.817 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.232 10.244 -3.997 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.795 10.697 -6.396 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.967 11.885 -5.360 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.045 10.557 -6.103 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.115 8.352 -5.600 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.365 8.212 -5.305 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.519 7.867 -3.995 1.00 0.00 H new ATOM 952 N ASP A 61 -3.942 12.178 -2.313 1.00 0.00 N ATOM 953 CA ASP A 61 -3.862 13.624 -1.955 1.00 0.00 C ATOM 954 C ASP A 61 -2.528 13.903 -1.259 1.00 0.00 C ATOM 955 O ASP A 61 -1.923 14.940 -1.450 1.00 0.00 O ATOM 956 CB ASP A 61 -5.013 13.982 -1.013 1.00 0.00 C ATOM 957 CG ASP A 61 -5.153 15.502 -0.933 1.00 0.00 C ATOM 958 OD1 ASP A 61 -4.135 16.173 -0.944 1.00 0.00 O ATOM 959 OD2 ASP A 61 -6.278 15.971 -0.862 1.00 0.00 O ATOM 0 H ASP A 61 -4.740 11.677 -1.923 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.934 14.227 -2.860 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.942 13.539 -1.372 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.826 13.571 -0.021 1.00 0.00 H new ATOM 964 N LEU A 62 -2.066 12.988 -0.452 1.00 0.00 N ATOM 965 CA LEU A 62 -0.772 13.204 0.254 1.00 0.00 C ATOM 966 C LEU A 62 0.374 13.183 -0.760 1.00 0.00 C ATOM 967 O LEU A 62 1.308 13.956 -0.673 1.00 0.00 O ATOM 968 CB LEU A 62 -0.564 12.093 1.287 1.00 0.00 C ATOM 969 CG LEU A 62 -1.476 12.340 2.491 1.00 0.00 C ATOM 970 CD1 LEU A 62 -2.218 11.050 2.847 1.00 0.00 C ATOM 971 CD2 LEU A 62 -0.633 12.787 3.686 1.00 0.00 C ATOM 0 H LEU A 62 -2.528 12.101 -0.251 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.790 14.170 0.759 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.785 11.122 0.843 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.478 12.068 1.605 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.199 13.117 2.243 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.867 11.228 3.705 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.820 10.730 1.997 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.496 10.271 3.094 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.282 12.963 4.544 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.090 12.010 3.932 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.106 13.707 3.435 1.00 0.00 H new ATOM 983 N ALA A 63 0.310 12.305 -1.723 1.00 0.00 N ATOM 984 CA ALA A 63 1.394 12.235 -2.744 1.00 0.00 C ATOM 985 C ALA A 63 1.240 13.391 -3.736 1.00 0.00 C ATOM 986 O ALA A 63 2.117 13.658 -4.533 1.00 0.00 O ATOM 987 CB ALA A 63 1.300 10.904 -3.493 1.00 0.00 C ATOM 0 H ALA A 63 -0.447 11.632 -1.847 1.00 0.00 H new ATOM 0 HA ALA A 63 2.363 12.309 -2.251 1.00 0.00 H new ATOM 0 HB1 ALA A 63 2.092 10.850 -4.240 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.411 10.081 -2.787 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.330 10.831 -3.986 1.00 0.00 H new ATOM 993 N ARG A 64 0.131 14.078 -3.695 1.00 0.00 N ATOM 994 CA ARG A 64 -0.078 15.214 -4.637 1.00 0.00 C ATOM 995 C ARG A 64 0.796 16.398 -4.216 1.00 0.00 C ATOM 996 O ARG A 64 1.058 17.295 -4.994 1.00 0.00 O ATOM 997 CB ARG A 64 -1.548 15.637 -4.607 1.00 0.00 C ATOM 998 CG ARG A 64 -2.359 14.739 -5.543 1.00 0.00 C ATOM 999 CD ARG A 64 -3.179 15.609 -6.496 1.00 0.00 C ATOM 1000 NE ARG A 64 -2.312 16.073 -7.616 1.00 0.00 N ATOM 1001 CZ ARG A 64 -2.647 17.128 -8.307 1.00 0.00 C ATOM 1002 NH1 ARG A 64 -2.895 18.256 -7.698 1.00 0.00 N ATOM 1003 NH2 ARG A 64 -2.736 17.054 -9.606 1.00 0.00 N ATOM 0 H ARG A 64 -0.639 13.902 -3.050 1.00 0.00 H new ATOM 0 HA ARG A 64 0.194 14.901 -5.645 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.937 15.566 -3.591 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.644 16.679 -4.913 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.692 14.089 -6.109 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -3.019 14.093 -4.964 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.024 15.042 -6.887 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.590 16.465 -5.961 1.00 0.00 H new ATOM 0 HE ARG A 64 -1.457 15.566 -7.842 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.827 18.313 -6.682 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -3.157 19.081 -8.238 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -2.544 16.172 -10.081 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -2.998 17.878 -10.147 1.00 0.00 H new ATOM 1017 N LYS A 65 1.242 16.413 -2.991 1.00 0.00 N ATOM 1018 CA LYS A 65 2.091 17.544 -2.517 1.00 0.00 C ATOM 1019 C LYS A 65 3.499 17.423 -3.110 1.00 0.00 C ATOM 1020 O LYS A 65 4.202 18.403 -3.259 1.00 0.00 O ATOM 1021 CB LYS A 65 2.180 17.509 -0.989 1.00 0.00 C ATOM 1022 CG LYS A 65 2.484 18.913 -0.462 1.00 0.00 C ATOM 1023 CD LYS A 65 2.096 19.000 1.016 1.00 0.00 C ATOM 1024 CE LYS A 65 0.631 19.422 1.136 1.00 0.00 C ATOM 1025 NZ LYS A 65 0.516 20.540 2.116 1.00 0.00 N ATOM 0 H LYS A 65 1.056 15.690 -2.296 1.00 0.00 H new ATOM 0 HA LYS A 65 1.645 18.485 -2.838 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.242 17.146 -0.568 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.960 16.815 -0.676 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.544 19.137 -0.584 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.933 19.656 -1.038 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.248 18.035 1.500 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.735 19.718 1.529 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.251 19.735 0.164 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.023 18.577 1.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.480 20.828 2.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.864 20.225 3.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.084 21.348 1.789 1.00 0.00 H new ATOM 1039 N SER A 66 3.919 16.234 -3.445 1.00 0.00 N ATOM 1040 CA SER A 66 5.284 16.067 -4.020 1.00 0.00 C ATOM 1041 C SER A 66 5.217 15.204 -5.283 1.00 0.00 C ATOM 1042 O SER A 66 6.228 14.793 -5.818 1.00 0.00 O ATOM 1043 CB SER A 66 6.189 15.390 -2.991 1.00 0.00 C ATOM 1044 OG SER A 66 5.424 15.054 -1.840 1.00 0.00 O ATOM 0 H SER A 66 3.379 15.374 -3.346 1.00 0.00 H new ATOM 0 HA SER A 66 5.687 17.047 -4.276 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.637 14.493 -3.418 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.007 16.055 -2.716 1.00 0.00 H new ATOM 0 HG SER A 66 6.002 14.618 -1.179 1.00 0.00 H new ATOM 1050 N SER A 67 4.038 14.926 -5.767 1.00 0.00 N ATOM 1051 CA SER A 67 3.918 14.091 -6.996 1.00 0.00 C ATOM 1052 C SER A 67 4.675 12.777 -6.794 1.00 0.00 C ATOM 1053 O SER A 67 5.596 12.461 -7.521 1.00 0.00 O ATOM 1054 CB SER A 67 4.518 14.845 -8.184 1.00 0.00 C ATOM 1055 OG SER A 67 4.749 13.933 -9.250 1.00 0.00 O ATOM 0 H SER A 67 3.154 15.240 -5.366 1.00 0.00 H new ATOM 0 HA SER A 67 2.867 13.880 -7.191 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.841 15.636 -8.507 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.452 15.324 -7.891 1.00 0.00 H new ATOM 0 HG SER A 67 5.444 13.294 -8.989 1.00 0.00 H new ATOM 1061 N LYS A 68 4.295 12.008 -5.811 1.00 0.00 N ATOM 1062 CA LYS A 68 4.995 10.716 -5.564 1.00 0.00 C ATOM 1063 C LYS A 68 4.448 9.646 -6.513 1.00 0.00 C ATOM 1064 O LYS A 68 3.453 9.858 -7.177 1.00 0.00 O ATOM 1065 CB LYS A 68 4.765 10.280 -4.117 1.00 0.00 C ATOM 1066 CG LYS A 68 6.001 10.617 -3.281 1.00 0.00 C ATOM 1067 CD LYS A 68 6.225 9.522 -2.236 1.00 0.00 C ATOM 1068 CE LYS A 68 7.253 10.001 -1.209 1.00 0.00 C ATOM 1069 NZ LYS A 68 8.574 10.184 -1.876 1.00 0.00 N ATOM 0 H LYS A 68 3.531 12.218 -5.169 1.00 0.00 H new ATOM 0 HA LYS A 68 6.063 10.844 -5.740 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.888 10.783 -3.709 1.00 0.00 H new ATOM 0 HB3 LYS A 68 4.566 9.209 -4.076 1.00 0.00 H new ATOM 0 HG2 LYS A 68 6.876 10.704 -3.925 1.00 0.00 H new ATOM 0 HG3 LYS A 68 5.869 11.581 -2.790 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.285 9.280 -1.740 1.00 0.00 H new ATOM 0 HD3 LYS A 68 6.575 8.610 -2.719 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.926 10.940 -0.762 1.00 0.00 H new ATOM 0 HE3 LYS A 68 7.340 9.276 -0.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 9.310 10.327 -1.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 8.799 9.338 -2.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.535 11.015 -2.501 1.00 0.00 H new ATOM 1083 N PRO A 69 5.120 8.523 -6.547 1.00 0.00 N ATOM 1084 CA PRO A 69 4.734 7.389 -7.403 1.00 0.00 C ATOM 1085 C PRO A 69 3.567 6.622 -6.776 1.00 0.00 C ATOM 1086 O PRO A 69 3.730 5.910 -5.805 1.00 0.00 O ATOM 1087 CB PRO A 69 5.996 6.524 -7.446 1.00 0.00 C ATOM 1088 CG PRO A 69 6.821 6.895 -6.189 1.00 0.00 C ATOM 1089 CD PRO A 69 6.329 8.281 -5.733 1.00 0.00 C ATOM 0 HA PRO A 69 4.400 7.694 -8.395 1.00 0.00 H new ATOM 0 HB2 PRO A 69 5.741 5.464 -7.445 1.00 0.00 H new ATOM 0 HB3 PRO A 69 6.566 6.714 -8.355 1.00 0.00 H new ATOM 0 HG2 PRO A 69 6.680 6.155 -5.401 1.00 0.00 H new ATOM 0 HG3 PRO A 69 7.886 6.918 -6.418 1.00 0.00 H new ATOM 0 HD2 PRO A 69 6.100 8.291 -4.667 1.00 0.00 H new ATOM 0 HD3 PRO A 69 7.084 9.048 -5.904 1.00 0.00 H new ATOM 1097 N ILE A 70 2.391 6.762 -7.322 1.00 0.00 N ATOM 1098 CA ILE A 70 1.216 6.042 -6.756 1.00 0.00 C ATOM 1099 C ILE A 70 0.809 4.910 -7.702 1.00 0.00 C ATOM 1100 O ILE A 70 0.117 5.122 -8.679 1.00 0.00 O ATOM 1101 CB ILE A 70 0.049 7.017 -6.595 1.00 0.00 C ATOM 1102 CG1 ILE A 70 0.546 8.298 -5.921 1.00 0.00 C ATOM 1103 CG2 ILE A 70 -1.039 6.377 -5.732 1.00 0.00 C ATOM 1104 CD1 ILE A 70 -0.146 9.507 -6.554 1.00 0.00 C ATOM 0 H ILE A 70 2.193 7.344 -8.136 1.00 0.00 H new ATOM 0 HA ILE A 70 1.478 5.627 -5.783 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.361 7.256 -7.576 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.337 8.264 -4.852 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.627 8.385 -6.032 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.870 7.073 -5.618 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.393 5.464 -6.211 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.630 6.136 -4.751 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.207 10.420 -6.075 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.086 9.543 -7.619 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.224 9.420 -6.420 1.00 0.00 H new ATOM 1116 N ILE A 71 1.234 3.709 -7.421 1.00 0.00 N ATOM 1117 CA ILE A 71 0.872 2.564 -8.304 1.00 0.00 C ATOM 1118 C ILE A 71 -0.533 2.069 -7.952 1.00 0.00 C ATOM 1119 O ILE A 71 -0.772 1.562 -6.875 1.00 0.00 O ATOM 1120 CB ILE A 71 1.876 1.428 -8.100 1.00 0.00 C ATOM 1121 CG1 ILE A 71 3.282 1.923 -8.445 1.00 0.00 C ATOM 1122 CG2 ILE A 71 1.512 0.255 -9.011 1.00 0.00 C ATOM 1123 CD1 ILE A 71 4.059 2.195 -7.155 1.00 0.00 C ATOM 0 H ILE A 71 1.816 3.471 -6.618 1.00 0.00 H new ATOM 0 HA ILE A 71 0.892 2.888 -9.344 1.00 0.00 H new ATOM 0 HB ILE A 71 1.849 1.102 -7.060 1.00 0.00 H new ATOM 0 HG12 ILE A 71 3.804 1.178 -9.046 1.00 0.00 H new ATOM 0 HG13 ILE A 71 3.222 2.831 -9.044 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.227 -0.554 -8.866 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.510 -0.098 -8.767 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.539 0.580 -10.051 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.061 2.548 -7.401 1.00 0.00 H new ATOM 0 HD12 ILE A 71 3.540 2.955 -6.571 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.131 1.276 -6.573 1.00 0.00 H new ATOM 1135 N THR A 72 -1.465 2.212 -8.855 1.00 0.00 N ATOM 1136 CA THR A 72 -2.852 1.748 -8.575 1.00 0.00 C ATOM 1137 C THR A 72 -3.011 0.307 -9.064 1.00 0.00 C ATOM 1138 O THR A 72 -2.507 -0.065 -10.105 1.00 0.00 O ATOM 1139 CB THR A 72 -3.850 2.650 -9.304 1.00 0.00 C ATOM 1140 OG1 THR A 72 -3.799 2.381 -10.699 1.00 0.00 O ATOM 1141 CG2 THR A 72 -3.498 4.117 -9.052 1.00 0.00 C ATOM 0 H THR A 72 -1.325 2.630 -9.775 1.00 0.00 H new ATOM 0 HA THR A 72 -3.043 1.792 -7.503 1.00 0.00 H new ATOM 0 HB THR A 72 -4.855 2.453 -8.932 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.439 2.957 -11.167 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.211 4.757 -9.573 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.540 4.323 -7.982 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.492 4.319 -9.421 1.00 0.00 H new ATOM 1149 N VAL A 73 -3.708 -0.507 -8.320 1.00 0.00 N ATOM 1150 CA VAL A 73 -3.898 -1.923 -8.741 1.00 0.00 C ATOM 1151 C VAL A 73 -5.338 -2.123 -9.215 1.00 0.00 C ATOM 1152 O VAL A 73 -6.281 -1.894 -8.482 1.00 0.00 O ATOM 1153 CB VAL A 73 -3.616 -2.848 -7.556 1.00 0.00 C ATOM 1154 CG1 VAL A 73 -3.796 -4.305 -7.991 1.00 0.00 C ATOM 1155 CG2 VAL A 73 -2.180 -2.633 -7.074 1.00 0.00 C ATOM 0 H VAL A 73 -4.154 -0.252 -7.439 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.212 -2.157 -9.555 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.310 -2.623 -6.746 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.595 -4.964 -7.147 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.819 -4.458 -8.336 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.103 -4.531 -8.801 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.977 -3.291 -6.229 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.487 -2.858 -7.884 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.052 -1.596 -6.764 1.00 0.00 H new ATOM 1165 N ARG A 74 -5.515 -2.548 -10.437 1.00 0.00 N ATOM 1166 CA ARG A 74 -6.895 -2.763 -10.959 1.00 0.00 C ATOM 1167 C ARG A 74 -7.715 -3.542 -9.926 1.00 0.00 C ATOM 1168 O ARG A 74 -7.162 -4.177 -9.050 1.00 0.00 O ATOM 1169 CB ARG A 74 -6.827 -3.562 -12.263 1.00 0.00 C ATOM 1170 CG ARG A 74 -6.491 -2.621 -13.422 1.00 0.00 C ATOM 1171 CD ARG A 74 -7.613 -2.672 -14.462 1.00 0.00 C ATOM 1172 NE ARG A 74 -7.279 -3.686 -15.502 1.00 0.00 N ATOM 1173 CZ ARG A 74 -8.121 -4.648 -15.770 1.00 0.00 C ATOM 1174 NH1 ARG A 74 -8.815 -5.194 -14.810 1.00 0.00 N ATOM 1175 NH2 ARG A 74 -8.267 -5.062 -16.999 1.00 0.00 N ATOM 0 H ARG A 74 -4.764 -2.755 -11.096 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.368 -1.799 -11.147 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -6.071 -4.343 -12.184 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.780 -4.058 -12.448 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.368 -1.603 -13.054 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.545 -2.912 -13.878 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -8.558 -2.926 -13.981 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.742 -1.692 -14.922 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.393 -3.629 -16.004 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.700 -4.870 -13.850 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.472 -5.945 -15.020 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -7.724 -4.634 -17.749 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -8.924 -5.813 -17.209 1.00 0.00 H new ATOM 1189 N PRO A 75 -9.015 -3.468 -10.062 1.00 0.00 N ATOM 1190 CA PRO A 75 -9.948 -4.158 -9.154 1.00 0.00 C ATOM 1191 C PRO A 75 -10.034 -5.645 -9.512 1.00 0.00 C ATOM 1192 O PRO A 75 -9.335 -6.125 -10.382 1.00 0.00 O ATOM 1193 CB PRO A 75 -11.283 -3.453 -9.411 1.00 0.00 C ATOM 1194 CG PRO A 75 -11.177 -2.812 -10.816 1.00 0.00 C ATOM 1195 CD PRO A 75 -9.674 -2.689 -11.130 1.00 0.00 C ATOM 0 HA PRO A 75 -9.645 -4.115 -8.108 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -12.110 -4.161 -9.369 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -11.474 -2.695 -8.652 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -11.680 -3.428 -11.562 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.658 -1.834 -10.833 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -9.439 -3.088 -12.117 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.349 -1.648 -11.122 1.00 0.00 H new ATOM 1203 N TYR A 76 -10.885 -6.378 -8.847 1.00 0.00 N ATOM 1204 CA TYR A 76 -11.012 -7.833 -9.150 1.00 0.00 C ATOM 1205 C TYR A 76 -11.407 -8.016 -10.616 1.00 0.00 C ATOM 1206 O TYR A 76 -10.891 -8.873 -11.305 1.00 0.00 O ATOM 1207 CB TYR A 76 -12.082 -8.452 -8.249 1.00 0.00 C ATOM 1208 CG TYR A 76 -11.534 -9.703 -7.604 1.00 0.00 C ATOM 1209 CD1 TYR A 76 -11.440 -10.889 -8.342 1.00 0.00 C ATOM 1210 CD2 TYR A 76 -11.118 -9.675 -6.266 1.00 0.00 C ATOM 1211 CE1 TYR A 76 -10.930 -12.049 -7.743 1.00 0.00 C ATOM 1212 CE2 TYR A 76 -10.608 -10.834 -5.666 1.00 0.00 C ATOM 1213 CZ TYR A 76 -10.514 -12.022 -6.406 1.00 0.00 C ATOM 1214 OH TYR A 76 -10.012 -13.163 -5.816 1.00 0.00 O ATOM 0 H TYR A 76 -11.497 -6.033 -8.108 1.00 0.00 H new ATOM 0 HA TYR A 76 -10.057 -8.327 -8.968 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -12.385 -7.738 -7.483 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -12.971 -8.690 -8.833 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -11.761 -10.910 -9.373 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -11.191 -8.760 -5.697 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -10.858 -12.964 -8.313 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -10.288 -10.813 -4.635 1.00 0.00 H new ATOM 0 HH TYR A 76 -9.574 -13.717 -6.495 1.00 0.00 H new ATOM 1224 N GLY A 77 -12.320 -7.219 -11.100 1.00 0.00 N ATOM 1225 CA GLY A 77 -12.745 -7.351 -12.522 1.00 0.00 C ATOM 1226 C GLY A 77 -14.223 -6.976 -12.650 1.00 0.00 C ATOM 1227 O GLY A 77 -14.988 -7.650 -13.311 1.00 0.00 O ATOM 0 H GLY A 77 -12.790 -6.483 -10.573 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -12.138 -6.704 -13.155 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -12.587 -8.373 -12.866 1.00 0.00 H new ATOM 1231 N LEU A 78 -14.629 -5.906 -12.025 1.00 0.00 N ATOM 1232 CA LEU A 78 -16.058 -5.490 -12.113 1.00 0.00 C ATOM 1233 C LEU A 78 -16.164 -4.202 -12.932 1.00 0.00 C ATOM 1234 O LEU A 78 -17.194 -3.900 -13.500 1.00 0.00 O ATOM 1235 CB LEU A 78 -16.605 -5.249 -10.705 1.00 0.00 C ATOM 1236 CG LEU A 78 -17.158 -6.559 -10.142 1.00 0.00 C ATOM 1237 CD1 LEU A 78 -16.847 -6.646 -8.647 1.00 0.00 C ATOM 1238 CD2 LEU A 78 -18.674 -6.604 -10.349 1.00 0.00 C ATOM 0 H LEU A 78 -14.034 -5.302 -11.458 1.00 0.00 H new ATOM 0 HA LEU A 78 -16.638 -6.276 -12.597 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -15.816 -4.867 -10.057 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -17.389 -4.493 -10.732 1.00 0.00 H new ATOM 0 HG LEU A 78 -16.694 -7.399 -10.659 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -17.242 -7.580 -8.247 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -15.768 -6.614 -8.497 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -17.310 -5.806 -8.130 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -19.068 -7.538 -9.948 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -19.137 -5.763 -9.833 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -18.898 -6.544 -11.414 1.00 0.00 H new ATOM 1250 N GLU A 79 -15.105 -3.442 -12.998 1.00 0.00 N ATOM 1251 CA GLU A 79 -15.144 -2.175 -13.782 1.00 0.00 C ATOM 1252 C GLU A 79 -13.743 -1.565 -13.834 1.00 0.00 C ATOM 1253 O GLU A 79 -13.104 -1.364 -12.820 1.00 0.00 O ATOM 1254 CB GLU A 79 -16.107 -1.186 -13.119 1.00 0.00 C ATOM 1255 CG GLU A 79 -16.141 -1.433 -11.609 1.00 0.00 C ATOM 1256 CD GLU A 79 -16.422 -0.116 -10.884 1.00 0.00 C ATOM 1257 OE1 GLU A 79 -16.505 0.901 -11.553 1.00 0.00 O ATOM 1258 OE2 GLU A 79 -16.549 -0.146 -9.671 1.00 0.00 O ATOM 0 H GLU A 79 -14.215 -3.644 -12.543 1.00 0.00 H new ATOM 0 HA GLU A 79 -15.487 -2.388 -14.794 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -15.790 -0.163 -13.323 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -17.107 -1.300 -13.539 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -16.911 -2.166 -11.367 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -15.190 -1.848 -11.276 1.00 0.00 H new ATOM 1265 N ASN A 80 -13.261 -1.271 -15.009 1.00 0.00 N ATOM 1266 CA ASN A 80 -11.899 -0.676 -15.128 1.00 0.00 C ATOM 1267 C ASN A 80 -11.855 0.660 -14.383 1.00 0.00 C ATOM 1268 O ASN A 80 -12.835 1.374 -14.311 1.00 0.00 O ATOM 1269 CB ASN A 80 -11.569 -0.445 -16.604 1.00 0.00 C ATOM 1270 CG ASN A 80 -10.250 0.321 -16.716 1.00 0.00 C ATOM 1271 OD1 ASN A 80 -9.207 -0.186 -16.352 1.00 0.00 O ATOM 1272 ND2 ASN A 80 -10.251 1.530 -17.206 1.00 0.00 N ATOM 0 H ASN A 80 -13.750 -1.417 -15.892 1.00 0.00 H new ATOM 0 HA ASN A 80 -11.169 -1.358 -14.693 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -11.493 -1.400 -17.125 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -12.370 0.117 -17.084 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -9.377 2.050 -17.284 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -11.126 1.956 -17.512 1.00 0.00 H new ATOM 1279 N VAL A 81 -10.724 1.001 -13.829 1.00 0.00 N ATOM 1280 CA VAL A 81 -10.614 2.290 -13.089 1.00 0.00 C ATOM 1281 C VAL A 81 -11.035 3.443 -14.006 1.00 0.00 C ATOM 1282 O VAL A 81 -10.964 3.330 -15.213 1.00 0.00 O ATOM 1283 CB VAL A 81 -9.165 2.497 -12.643 1.00 0.00 C ATOM 1284 CG1 VAL A 81 -8.877 1.624 -11.419 1.00 0.00 C ATOM 1285 CG2 VAL A 81 -8.221 2.104 -13.781 1.00 0.00 C ATOM 0 H VAL A 81 -9.871 0.443 -13.857 1.00 0.00 H new ATOM 0 HA VAL A 81 -11.265 2.265 -12.215 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.011 3.545 -12.386 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.845 1.772 -11.102 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.550 1.902 -10.607 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.031 0.576 -11.675 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.188 2.251 -13.464 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.376 1.056 -14.037 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.425 2.725 -14.654 1.00 0.00 H new ATOM 1295 N PRO A 82 -11.462 4.521 -13.399 1.00 0.00 N ATOM 1296 CA PRO A 82 -11.905 5.720 -14.129 1.00 0.00 C ATOM 1297 C PRO A 82 -10.697 6.522 -14.627 1.00 0.00 C ATOM 1298 O PRO A 82 -9.596 6.345 -14.145 1.00 0.00 O ATOM 1299 CB PRO A 82 -12.693 6.508 -13.079 1.00 0.00 C ATOM 1300 CG PRO A 82 -12.189 6.021 -11.699 1.00 0.00 C ATOM 1301 CD PRO A 82 -11.541 4.643 -11.928 1.00 0.00 C ATOM 0 HA PRO A 82 -12.498 5.489 -15.014 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -12.531 7.580 -13.196 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -13.764 6.334 -13.185 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -11.468 6.723 -11.280 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -13.013 5.948 -10.989 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -10.554 4.586 -11.470 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -12.141 3.843 -11.493 1.00 0.00 H new ATOM 1309 N PRO A 83 -10.945 7.382 -15.581 1.00 0.00 N ATOM 1310 CA PRO A 83 -9.899 8.233 -16.177 1.00 0.00 C ATOM 1311 C PRO A 83 -9.566 9.405 -15.249 1.00 0.00 C ATOM 1312 O PRO A 83 -8.556 10.063 -15.404 1.00 0.00 O ATOM 1313 CB PRO A 83 -10.539 8.728 -17.476 1.00 0.00 C ATOM 1314 CG PRO A 83 -12.070 8.609 -17.284 1.00 0.00 C ATOM 1315 CD PRO A 83 -12.292 7.585 -16.156 1.00 0.00 C ATOM 0 HA PRO A 83 -8.960 7.705 -16.343 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -10.253 9.760 -17.681 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -10.207 8.130 -18.325 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -12.504 9.574 -17.023 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.552 8.282 -18.205 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -12.992 7.960 -15.409 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -12.706 6.653 -16.540 1.00 0.00 H new ATOM 1323 N GLU A 84 -10.405 9.672 -14.285 1.00 0.00 N ATOM 1324 CA GLU A 84 -10.130 10.802 -13.352 1.00 0.00 C ATOM 1325 C GLU A 84 -8.949 10.444 -12.450 1.00 0.00 C ATOM 1326 O GLU A 84 -8.231 11.304 -11.979 1.00 0.00 O ATOM 1327 CB GLU A 84 -11.367 11.064 -12.490 1.00 0.00 C ATOM 1328 CG GLU A 84 -12.586 11.262 -13.392 1.00 0.00 C ATOM 1329 CD GLU A 84 -13.822 11.517 -12.529 1.00 0.00 C ATOM 1330 OE1 GLU A 84 -13.851 11.032 -11.409 1.00 0.00 O ATOM 1331 OE2 GLU A 84 -14.720 12.195 -13.001 1.00 0.00 O ATOM 0 H GLU A 84 -11.267 9.158 -14.103 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.890 11.696 -13.927 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.535 10.227 -11.813 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.212 11.948 -11.872 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.420 12.102 -14.066 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.739 10.380 -14.014 1.00 0.00 H new ATOM 1338 N LEU A 85 -8.740 9.180 -12.204 1.00 0.00 N ATOM 1339 CA LEU A 85 -7.605 8.768 -11.331 1.00 0.00 C ATOM 1340 C LEU A 85 -6.335 8.632 -12.173 1.00 0.00 C ATOM 1341 O LEU A 85 -5.233 8.748 -11.675 1.00 0.00 O ATOM 1342 CB LEU A 85 -7.929 7.424 -10.676 1.00 0.00 C ATOM 1343 CG LEU A 85 -7.013 7.208 -9.471 1.00 0.00 C ATOM 1344 CD1 LEU A 85 -7.830 7.311 -8.183 1.00 0.00 C ATOM 1345 CD2 LEU A 85 -6.374 5.819 -9.560 1.00 0.00 C ATOM 0 H LEU A 85 -9.306 8.415 -12.570 1.00 0.00 H new ATOM 0 HA LEU A 85 -7.449 9.521 -10.559 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.972 7.403 -10.361 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.797 6.616 -11.396 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.233 7.969 -9.467 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.177 7.157 -7.324 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.286 8.299 -8.119 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.611 6.551 -8.186 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.721 5.663 -8.702 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -7.155 5.059 -9.564 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.791 5.745 -10.478 1.00 0.00 H new ATOM 1357 N GLU A 86 -6.480 8.387 -13.446 1.00 0.00 N ATOM 1358 CA GLU A 86 -5.281 8.242 -14.320 1.00 0.00 C ATOM 1359 C GLU A 86 -4.439 9.518 -14.251 1.00 0.00 C ATOM 1360 O GLU A 86 -3.226 9.476 -14.308 1.00 0.00 O ATOM 1361 CB GLU A 86 -5.729 8.007 -15.765 1.00 0.00 C ATOM 1362 CG GLU A 86 -5.684 6.509 -16.077 1.00 0.00 C ATOM 1363 CD GLU A 86 -6.906 6.126 -16.913 1.00 0.00 C ATOM 1364 OE1 GLU A 86 -7.399 6.977 -17.634 1.00 0.00 O ATOM 1365 OE2 GLU A 86 -7.331 4.985 -16.816 1.00 0.00 O ATOM 0 H GLU A 86 -7.377 8.281 -13.919 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.685 7.395 -13.980 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.739 8.389 -15.910 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.080 8.552 -16.451 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.769 6.267 -16.618 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -5.669 5.934 -15.151 1.00 0.00 H new ATOM 1372 N ALA A 87 -5.072 10.653 -14.133 1.00 0.00 N ATOM 1373 CA ALA A 87 -4.309 11.931 -14.065 1.00 0.00 C ATOM 1374 C ALA A 87 -3.506 11.984 -12.764 1.00 0.00 C ATOM 1375 O ALA A 87 -2.370 12.415 -12.743 1.00 0.00 O ATOM 1376 CB ALA A 87 -5.285 13.108 -14.108 1.00 0.00 C ATOM 0 H ALA A 87 -6.086 10.750 -14.081 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.626 11.990 -14.913 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.729 14.044 -14.058 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.856 13.074 -15.036 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.967 13.046 -13.260 1.00 0.00 H new ATOM 1382 N VAL A 88 -4.087 11.556 -11.677 1.00 0.00 N ATOM 1383 CA VAL A 88 -3.354 11.589 -10.380 1.00 0.00 C ATOM 1384 C VAL A 88 -2.584 10.281 -10.188 1.00 0.00 C ATOM 1385 O VAL A 88 -1.970 10.057 -9.163 1.00 0.00 O ATOM 1386 CB VAL A 88 -4.354 11.763 -9.236 1.00 0.00 C ATOM 1387 CG1 VAL A 88 -4.980 13.157 -9.311 1.00 0.00 C ATOM 1388 CG2 VAL A 88 -5.451 10.704 -9.354 1.00 0.00 C ATOM 0 H VAL A 88 -5.036 11.185 -11.631 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.652 12.423 -10.383 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.838 11.649 -8.282 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -5.693 13.280 -8.495 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -4.198 13.912 -9.227 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.496 13.273 -10.264 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.164 10.827 -8.539 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.966 10.818 -10.308 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.005 9.711 -9.299 1.00 0.00 H new ATOM 1398 N SER A 89 -2.609 9.414 -11.163 1.00 0.00 N ATOM 1399 CA SER A 89 -1.875 8.125 -11.027 1.00 0.00 C ATOM 1400 C SER A 89 -0.560 8.200 -11.806 1.00 0.00 C ATOM 1401 O SER A 89 -0.486 8.797 -12.862 1.00 0.00 O ATOM 1402 CB SER A 89 -2.732 6.987 -11.583 1.00 0.00 C ATOM 1403 OG SER A 89 -1.977 5.781 -11.571 1.00 0.00 O ATOM 0 H SER A 89 -3.105 9.542 -12.045 1.00 0.00 H new ATOM 0 HA SER A 89 -1.663 7.939 -9.974 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.635 6.870 -10.984 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.051 7.220 -12.599 1.00 0.00 H new ATOM 0 HG SER A 89 -2.566 5.024 -11.772 1.00 0.00 H new ATOM 1409 N SER A 90 0.478 7.599 -11.295 1.00 0.00 N ATOM 1410 CA SER A 90 1.787 7.635 -12.007 1.00 0.00 C ATOM 1411 C SER A 90 2.077 6.260 -12.611 1.00 0.00 C ATOM 1412 O SER A 90 2.908 6.119 -13.486 1.00 0.00 O ATOM 1413 CB SER A 90 2.895 8.002 -11.019 1.00 0.00 C ATOM 1414 OG SER A 90 4.104 8.225 -11.732 1.00 0.00 O ATOM 0 H SER A 90 0.477 7.084 -10.415 1.00 0.00 H new ATOM 0 HA SER A 90 1.748 8.380 -12.802 1.00 0.00 H new ATOM 0 HB2 SER A 90 2.619 8.896 -10.460 1.00 0.00 H new ATOM 0 HB3 SER A 90 3.030 7.201 -10.292 1.00 0.00 H new ATOM 0 HG SER A 90 4.816 8.462 -11.102 1.00 0.00 H new ATOM 1420 N GLU A 91 1.399 5.245 -12.151 1.00 0.00 N ATOM 1421 CA GLU A 91 1.637 3.880 -12.699 1.00 0.00 C ATOM 1422 C GLU A 91 0.367 3.041 -12.550 1.00 0.00 C ATOM 1423 O GLU A 91 -0.267 3.040 -11.516 1.00 0.00 O ATOM 1424 CB GLU A 91 2.780 3.215 -11.931 1.00 0.00 C ATOM 1425 CG GLU A 91 3.923 2.893 -12.893 1.00 0.00 C ATOM 1426 CD GLU A 91 5.250 2.912 -12.133 1.00 0.00 C ATOM 1427 OE1 GLU A 91 5.474 3.858 -11.395 1.00 0.00 O ATOM 1428 OE2 GLU A 91 6.020 1.981 -12.300 1.00 0.00 O ATOM 0 H GLU A 91 0.691 5.302 -11.419 1.00 0.00 H new ATOM 0 HA GLU A 91 1.902 3.953 -13.754 1.00 0.00 H new ATOM 0 HB2 GLU A 91 3.133 3.876 -11.139 1.00 0.00 H new ATOM 0 HB3 GLU A 91 2.427 2.302 -11.451 1.00 0.00 H new ATOM 0 HG2 GLU A 91 3.766 1.915 -13.347 1.00 0.00 H new ATOM 0 HG3 GLU A 91 3.946 3.621 -13.704 1.00 0.00 H new ATOM 1435 N VAL A 92 -0.007 2.326 -13.574 1.00 0.00 N ATOM 1436 CA VAL A 92 -1.235 1.487 -13.485 1.00 0.00 C ATOM 1437 C VAL A 92 -0.862 0.019 -13.705 1.00 0.00 C ATOM 1438 O VAL A 92 -0.508 -0.383 -14.795 1.00 0.00 O ATOM 1439 CB VAL A 92 -2.234 1.924 -14.557 1.00 0.00 C ATOM 1440 CG1 VAL A 92 -3.606 1.321 -14.252 1.00 0.00 C ATOM 1441 CG2 VAL A 92 -2.339 3.451 -14.561 1.00 0.00 C ATOM 0 H VAL A 92 0.483 2.286 -14.467 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.686 1.607 -12.500 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.894 1.579 -15.533 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.318 1.632 -15.016 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.532 0.234 -14.246 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.947 1.667 -13.276 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.051 3.765 -15.325 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.680 3.795 -13.584 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.362 3.882 -14.777 1.00 0.00 H new ATOM 1451 N VAL A 93 -0.937 -0.782 -12.678 1.00 0.00 N ATOM 1452 CA VAL A 93 -0.583 -2.220 -12.834 1.00 0.00 C ATOM 1453 C VAL A 93 -1.854 -3.070 -12.797 1.00 0.00 C ATOM 1454 O VAL A 93 -2.737 -2.854 -11.989 1.00 0.00 O ATOM 1455 CB VAL A 93 0.346 -2.646 -11.697 1.00 0.00 C ATOM 1456 CG1 VAL A 93 1.649 -1.849 -11.775 1.00 0.00 C ATOM 1457 CG2 VAL A 93 -0.336 -2.376 -10.354 1.00 0.00 C ATOM 0 H VAL A 93 -1.227 -0.504 -11.741 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.078 -2.364 -13.789 1.00 0.00 H new ATOM 0 HB VAL A 93 0.565 -3.710 -11.787 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.311 -2.153 -10.964 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.136 -2.040 -12.731 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.431 -0.785 -11.685 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.325 -2.679 -9.543 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.555 -1.312 -10.265 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.265 -2.944 -10.297 1.00 0.00 H new ATOM 1467 N GLY A 94 -1.949 -4.040 -13.662 1.00 0.00 N ATOM 1468 CA GLY A 94 -3.155 -4.912 -13.677 1.00 0.00 C ATOM 1469 C GLY A 94 -2.913 -6.118 -12.773 1.00 0.00 C ATOM 1470 O GLY A 94 -2.273 -6.018 -11.745 1.00 0.00 O ATOM 0 H GLY A 94 -1.242 -4.267 -14.361 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -4.026 -4.354 -13.334 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -3.368 -5.241 -14.694 1.00 0.00 H new ATOM 1474 N TRP A 95 -3.418 -7.259 -13.146 1.00 0.00 N ATOM 1475 CA TRP A 95 -3.213 -8.472 -12.309 1.00 0.00 C ATOM 1476 C TRP A 95 -2.083 -9.316 -12.902 1.00 0.00 C ATOM 1477 O TRP A 95 -2.290 -10.436 -13.328 1.00 0.00 O ATOM 1478 CB TRP A 95 -4.504 -9.292 -12.276 1.00 0.00 C ATOM 1479 CG TRP A 95 -5.343 -8.852 -11.119 1.00 0.00 C ATOM 1480 CD1 TRP A 95 -6.426 -8.046 -11.207 1.00 0.00 C ATOM 1481 CD2 TRP A 95 -5.187 -9.177 -9.708 1.00 0.00 C ATOM 1482 NE1 TRP A 95 -6.945 -7.856 -9.939 1.00 0.00 N ATOM 1483 CE2 TRP A 95 -6.217 -8.532 -8.981 1.00 0.00 C ATOM 1484 CE3 TRP A 95 -4.261 -9.962 -8.995 1.00 0.00 C ATOM 1485 CZ2 TRP A 95 -6.324 -8.662 -7.596 1.00 0.00 C ATOM 1486 CZ3 TRP A 95 -4.365 -10.094 -7.599 1.00 0.00 C ATOM 1487 CH2 TRP A 95 -5.396 -9.445 -6.902 1.00 0.00 C ATOM 0 H TRP A 95 -3.964 -7.404 -13.995 1.00 0.00 H new ATOM 0 HA TRP A 95 -2.947 -8.174 -11.295 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -5.054 -9.162 -13.208 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -4.272 -10.353 -12.188 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -6.821 -7.621 -12.118 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -7.766 -7.286 -9.737 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -3.466 -10.466 -9.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -7.119 -8.161 -7.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -3.649 -10.697 -7.061 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -5.473 -9.550 -5.830 1.00 0.00 H new ATOM 1498 N ASN A 96 -0.889 -8.789 -12.934 1.00 0.00 N ATOM 1499 CA ASN A 96 0.253 -9.563 -13.501 1.00 0.00 C ATOM 1500 C ASN A 96 1.492 -9.360 -12.620 1.00 0.00 C ATOM 1501 O ASN A 96 1.713 -8.282 -12.105 1.00 0.00 O ATOM 1502 CB ASN A 96 0.550 -9.071 -14.919 1.00 0.00 C ATOM 1503 CG ASN A 96 -0.425 -9.725 -15.901 1.00 0.00 C ATOM 1504 OD1 ASN A 96 -0.392 -10.924 -16.099 1.00 0.00 O ATOM 1505 ND2 ASN A 96 -1.296 -8.984 -16.528 1.00 0.00 N ATOM 0 H ASN A 96 -0.655 -7.857 -12.592 1.00 0.00 H new ATOM 0 HA ASN A 96 -0.004 -10.622 -13.531 1.00 0.00 H new ATOM 0 HB2 ASN A 96 0.457 -7.986 -14.966 1.00 0.00 H new ATOM 0 HB3 ASN A 96 1.577 -9.315 -15.192 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -1.950 -9.410 -17.185 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -1.324 -7.978 -16.362 1.00 0.00 H new ATOM 1512 N PRO A 97 2.265 -10.408 -12.473 1.00 0.00 N ATOM 1513 CA PRO A 97 3.492 -10.383 -11.657 1.00 0.00 C ATOM 1514 C PRO A 97 4.639 -9.720 -12.427 1.00 0.00 C ATOM 1515 O PRO A 97 5.545 -9.157 -11.843 1.00 0.00 O ATOM 1516 CB PRO A 97 3.788 -11.865 -11.412 1.00 0.00 C ATOM 1517 CG PRO A 97 3.075 -12.647 -12.541 1.00 0.00 C ATOM 1518 CD PRO A 97 1.987 -11.714 -13.104 1.00 0.00 C ATOM 0 HA PRO A 97 3.379 -9.814 -10.734 1.00 0.00 H new ATOM 0 HB2 PRO A 97 4.861 -12.054 -11.427 1.00 0.00 H new ATOM 0 HB3 PRO A 97 3.423 -12.177 -10.433 1.00 0.00 H new ATOM 0 HG2 PRO A 97 3.782 -12.933 -13.320 1.00 0.00 H new ATOM 0 HG3 PRO A 97 2.635 -13.567 -12.157 1.00 0.00 H new ATOM 0 HD2 PRO A 97 2.041 -11.650 -14.191 1.00 0.00 H new ATOM 0 HD3 PRO A 97 0.988 -12.072 -12.855 1.00 0.00 H new ATOM 1526 N HIS A 98 4.612 -9.787 -13.729 1.00 0.00 N ATOM 1527 CA HIS A 98 5.706 -9.165 -14.529 1.00 0.00 C ATOM 1528 C HIS A 98 5.564 -7.641 -14.499 1.00 0.00 C ATOM 1529 O HIS A 98 6.538 -6.917 -14.546 1.00 0.00 O ATOM 1530 CB HIS A 98 5.619 -9.654 -15.976 1.00 0.00 C ATOM 1531 CG HIS A 98 7.004 -9.857 -16.523 1.00 0.00 C ATOM 1532 ND1 HIS A 98 8.067 -9.042 -16.166 1.00 0.00 N ATOM 1533 CD2 HIS A 98 7.517 -10.775 -17.407 1.00 0.00 C ATOM 1534 CE1 HIS A 98 9.154 -9.481 -16.826 1.00 0.00 C ATOM 1535 NE2 HIS A 98 8.875 -10.535 -17.596 1.00 0.00 N ATOM 0 H HIS A 98 3.881 -10.245 -14.274 1.00 0.00 H new ATOM 0 HA HIS A 98 6.669 -9.447 -14.104 1.00 0.00 H new ATOM 0 HB2 HIS A 98 5.058 -10.588 -16.022 1.00 0.00 H new ATOM 0 HB3 HIS A 98 5.080 -8.928 -16.584 1.00 0.00 H new ATOM 0 HD1 HIS A 98 8.031 -8.253 -15.520 1.00 0.00 H new ATOM 0 HD2 HIS A 98 6.952 -11.563 -17.883 1.00 0.00 H new ATOM 0 HE1 HIS A 98 10.134 -9.035 -16.743 1.00 0.00 H new ATOM 1543 N CYS A 99 4.359 -7.147 -14.427 1.00 0.00 N ATOM 1544 CA CYS A 99 4.160 -5.669 -14.402 1.00 0.00 C ATOM 1545 C CYS A 99 4.537 -5.117 -13.026 1.00 0.00 C ATOM 1546 O CYS A 99 5.246 -4.137 -12.913 1.00 0.00 O ATOM 1547 CB CYS A 99 2.693 -5.350 -14.696 1.00 0.00 C ATOM 1548 SG CYS A 99 2.439 -5.268 -16.486 1.00 0.00 S ATOM 0 H CYS A 99 3.504 -7.701 -14.384 1.00 0.00 H new ATOM 0 HA CYS A 99 4.794 -5.207 -15.159 1.00 0.00 H new ATOM 0 HB2 CYS A 99 2.049 -6.115 -14.262 1.00 0.00 H new ATOM 0 HB3 CYS A 99 2.417 -4.402 -14.235 1.00 0.00 H new ATOM 0 HG CYS A 99 1.192 -4.999 -16.735 1.00 0.00 H new ATOM 1554 N ILE A 100 4.066 -5.735 -11.977 1.00 0.00 N ATOM 1555 CA ILE A 100 4.393 -5.242 -10.608 1.00 0.00 C ATOM 1556 C ILE A 100 5.886 -5.439 -10.330 1.00 0.00 C ATOM 1557 O ILE A 100 6.426 -4.906 -9.381 1.00 0.00 O ATOM 1558 CB ILE A 100 3.575 -6.021 -9.578 1.00 0.00 C ATOM 1559 CG1 ILE A 100 2.090 -5.936 -9.939 1.00 0.00 C ATOM 1560 CG2 ILE A 100 3.795 -5.423 -8.188 1.00 0.00 C ATOM 1561 CD1 ILE A 100 1.251 -6.479 -8.782 1.00 0.00 C ATOM 0 H ILE A 100 3.468 -6.561 -12.009 1.00 0.00 H new ATOM 0 HA ILE A 100 4.152 -4.181 -10.539 1.00 0.00 H new ATOM 0 HB ILE A 100 3.893 -7.064 -9.577 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.814 -4.902 -10.148 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.892 -6.508 -10.845 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.211 -5.980 -7.456 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.852 -5.482 -7.930 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.479 -4.380 -8.187 1.00 0.00 H new ATOM 0 HD11 ILE A 100 0.194 -6.418 -9.039 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.520 -7.519 -8.594 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.441 -5.888 -7.886 1.00 0.00 H new ATOM 1573 N ARG A 101 6.558 -6.202 -11.147 1.00 0.00 N ATOM 1574 CA ARG A 101 8.013 -6.432 -10.922 1.00 0.00 C ATOM 1575 C ARG A 101 8.803 -5.196 -11.362 1.00 0.00 C ATOM 1576 O ARG A 101 9.554 -4.624 -10.598 1.00 0.00 O ATOM 1577 CB ARG A 101 8.471 -7.643 -11.737 1.00 0.00 C ATOM 1578 CG ARG A 101 9.923 -7.975 -11.386 1.00 0.00 C ATOM 1579 CD ARG A 101 10.734 -8.148 -12.671 1.00 0.00 C ATOM 1580 NE ARG A 101 10.991 -9.597 -12.905 1.00 0.00 N ATOM 1581 CZ ARG A 101 11.672 -9.978 -13.952 1.00 0.00 C ATOM 1582 NH1 ARG A 101 12.496 -9.149 -14.531 1.00 0.00 N ATOM 1583 NH2 ARG A 101 11.529 -11.189 -14.418 1.00 0.00 N ATOM 0 H ARG A 101 6.163 -6.676 -11.960 1.00 0.00 H new ATOM 0 HA ARG A 101 8.189 -6.617 -9.862 1.00 0.00 H new ATOM 0 HB2 ARG A 101 7.830 -8.499 -11.527 1.00 0.00 H new ATOM 0 HB3 ARG A 101 8.382 -7.432 -12.803 1.00 0.00 H new ATOM 0 HG2 ARG A 101 10.352 -7.179 -10.778 1.00 0.00 H new ATOM 0 HG3 ARG A 101 9.965 -8.888 -10.792 1.00 0.00 H new ATOM 0 HD2 ARG A 101 10.192 -7.723 -13.516 1.00 0.00 H new ATOM 0 HD3 ARG A 101 11.678 -7.608 -12.594 1.00 0.00 H new ATOM 0 HE ARG A 101 10.635 -10.291 -12.248 1.00 0.00 H new ATOM 0 HH11 ARG A 101 12.608 -8.203 -14.166 1.00 0.00 H new ATOM 0 HH12 ARG A 101 13.028 -9.447 -15.349 1.00 0.00 H new ATOM 0 HH21 ARG A 101 10.885 -11.837 -13.964 1.00 0.00 H new ATOM 0 HH22 ARG A 101 12.061 -11.487 -15.236 1.00 0.00 H new ATOM 1597 N ASP A 102 8.640 -4.782 -12.590 1.00 0.00 N ATOM 1598 CA ASP A 102 9.384 -3.586 -13.078 1.00 0.00 C ATOM 1599 C ASP A 102 8.791 -2.318 -12.458 1.00 0.00 C ATOM 1600 O ASP A 102 9.453 -1.309 -12.335 1.00 0.00 O ATOM 1601 CB ASP A 102 9.274 -3.505 -14.602 1.00 0.00 C ATOM 1602 CG ASP A 102 9.954 -2.226 -15.096 1.00 0.00 C ATOM 1603 OD1 ASP A 102 10.978 -1.869 -14.537 1.00 0.00 O ATOM 1604 OD2 ASP A 102 9.437 -1.626 -16.024 1.00 0.00 O ATOM 0 H ASP A 102 8.024 -5.220 -13.275 1.00 0.00 H new ATOM 0 HA ASP A 102 10.432 -3.672 -12.790 1.00 0.00 H new ATOM 0 HB2 ASP A 102 9.742 -4.378 -15.058 1.00 0.00 H new ATOM 0 HB3 ASP A 102 8.226 -3.512 -14.902 1.00 0.00 H new ATOM 1609 N ALA A 103 7.545 -2.362 -12.070 1.00 0.00 N ATOM 1610 CA ALA A 103 6.913 -1.156 -11.464 1.00 0.00 C ATOM 1611 C ALA A 103 7.517 -0.900 -10.081 1.00 0.00 C ATOM 1612 O ALA A 103 7.804 0.223 -9.718 1.00 0.00 O ATOM 1613 CB ALA A 103 5.406 -1.384 -11.328 1.00 0.00 C ATOM 0 H ALA A 103 6.939 -3.179 -12.146 1.00 0.00 H new ATOM 0 HA ALA A 103 7.094 -0.292 -12.104 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.943 -0.502 -10.885 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.975 -1.564 -12.313 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.225 -2.249 -10.689 1.00 0.00 H new ATOM 1619 N LEU A 104 7.709 -1.931 -9.306 1.00 0.00 N ATOM 1620 CA LEU A 104 8.293 -1.742 -7.948 1.00 0.00 C ATOM 1621 C LEU A 104 9.787 -1.437 -8.069 1.00 0.00 C ATOM 1622 O LEU A 104 10.315 -0.586 -7.382 1.00 0.00 O ATOM 1623 CB LEU A 104 8.094 -3.017 -7.126 1.00 0.00 C ATOM 1624 CG LEU A 104 6.914 -2.829 -6.173 1.00 0.00 C ATOM 1625 CD1 LEU A 104 6.498 -4.185 -5.600 1.00 0.00 C ATOM 1626 CD2 LEU A 104 7.328 -1.898 -5.031 1.00 0.00 C ATOM 0 H LEU A 104 7.487 -2.895 -9.554 1.00 0.00 H new ATOM 0 HA LEU A 104 7.795 -0.909 -7.452 1.00 0.00 H new ATOM 0 HB2 LEU A 104 7.910 -3.864 -7.787 1.00 0.00 H new ATOM 0 HB3 LEU A 104 8.999 -3.244 -6.562 1.00 0.00 H new ATOM 0 HG LEU A 104 6.075 -2.392 -6.714 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.656 -4.050 -4.920 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.205 -4.849 -6.413 1.00 0.00 H new ATOM 0 HD13 LEU A 104 7.336 -4.623 -5.058 1.00 0.00 H new ATOM 0 HD21 LEU A 104 6.488 -1.762 -4.350 1.00 0.00 H new ATOM 0 HD22 LEU A 104 8.167 -2.336 -4.490 1.00 0.00 H new ATOM 0 HD23 LEU A 104 7.624 -0.932 -5.439 1.00 0.00 H new ATOM 1638 N GLU A 105 10.473 -2.125 -8.942 1.00 0.00 N ATOM 1639 CA GLU A 105 11.933 -1.874 -9.107 1.00 0.00 C ATOM 1640 C GLU A 105 12.168 -0.393 -9.415 1.00 0.00 C ATOM 1641 O GLU A 105 13.156 0.186 -9.007 1.00 0.00 O ATOM 1642 CB GLU A 105 12.468 -2.725 -10.260 1.00 0.00 C ATOM 1643 CG GLU A 105 13.994 -2.794 -10.179 1.00 0.00 C ATOM 1644 CD GLU A 105 14.436 -4.258 -10.110 1.00 0.00 C ATOM 1645 OE1 GLU A 105 13.993 -4.947 -9.207 1.00 0.00 O ATOM 1646 OE2 GLU A 105 15.209 -4.663 -10.963 1.00 0.00 O ATOM 0 H GLU A 105 10.086 -2.849 -9.547 1.00 0.00 H new ATOM 0 HA GLU A 105 12.452 -2.139 -8.186 1.00 0.00 H new ATOM 0 HB2 GLU A 105 12.045 -3.728 -10.212 1.00 0.00 H new ATOM 0 HB3 GLU A 105 12.163 -2.296 -11.214 1.00 0.00 H new ATOM 0 HG2 GLU A 105 14.437 -2.310 -11.049 1.00 0.00 H new ATOM 0 HG3 GLU A 105 14.347 -2.255 -9.300 1.00 0.00 H new ATOM 1653 N ASP A 106 11.270 0.225 -10.132 1.00 0.00 N ATOM 1654 CA ASP A 106 11.444 1.667 -10.466 1.00 0.00 C ATOM 1655 C ASP A 106 11.259 2.512 -9.204 1.00 0.00 C ATOM 1656 O ASP A 106 11.866 3.552 -9.047 1.00 0.00 O ATOM 1657 CB ASP A 106 10.401 2.077 -11.509 1.00 0.00 C ATOM 1658 CG ASP A 106 11.040 2.080 -12.899 1.00 0.00 C ATOM 1659 OD1 ASP A 106 11.557 1.048 -13.294 1.00 0.00 O ATOM 1660 OD2 ASP A 106 11.001 3.115 -13.545 1.00 0.00 O ATOM 0 H ASP A 106 10.423 -0.207 -10.501 1.00 0.00 H new ATOM 0 HA ASP A 106 12.445 1.828 -10.866 1.00 0.00 H new ATOM 0 HB2 ASP A 106 9.558 1.386 -11.486 1.00 0.00 H new ATOM 0 HB3 ASP A 106 10.008 3.067 -11.276 1.00 0.00 H new ATOM 1665 N ALA A 107 10.425 2.073 -8.301 1.00 0.00 N ATOM 1666 CA ALA A 107 10.203 2.854 -7.051 1.00 0.00 C ATOM 1667 C ALA A 107 11.526 2.994 -6.295 1.00 0.00 C ATOM 1668 O ALA A 107 11.668 3.828 -5.423 1.00 0.00 O ATOM 1669 CB ALA A 107 9.185 2.127 -6.169 1.00 0.00 C ATOM 0 H ALA A 107 9.889 1.209 -8.375 1.00 0.00 H new ATOM 0 HA ALA A 107 9.823 3.844 -7.304 1.00 0.00 H new ATOM 0 HB1 ALA A 107 9.022 2.698 -5.255 1.00 0.00 H new ATOM 0 HB2 ALA A 107 8.242 2.028 -6.707 1.00 0.00 H new ATOM 0 HB3 ALA A 107 9.564 1.137 -5.916 1.00 0.00 H new ATOM 1675 N LEU A 108 12.495 2.185 -6.624 1.00 0.00 N ATOM 1676 CA LEU A 108 13.808 2.273 -5.924 1.00 0.00 C ATOM 1677 C LEU A 108 14.484 3.602 -6.270 1.00 0.00 C ATOM 1678 O LEU A 108 15.012 4.282 -5.412 1.00 0.00 O ATOM 1679 CB LEU A 108 14.702 1.114 -6.372 1.00 0.00 C ATOM 1680 CG LEU A 108 15.641 0.722 -5.229 1.00 0.00 C ATOM 1681 CD1 LEU A 108 15.085 -0.507 -4.508 1.00 0.00 C ATOM 1682 CD2 LEU A 108 17.025 0.396 -5.795 1.00 0.00 C ATOM 0 H LEU A 108 12.435 1.467 -7.346 1.00 0.00 H new ATOM 0 HA LEU A 108 13.650 2.216 -4.847 1.00 0.00 H new ATOM 0 HB2 LEU A 108 14.090 0.260 -6.663 1.00 0.00 H new ATOM 0 HB3 LEU A 108 15.281 1.405 -7.249 1.00 0.00 H new ATOM 0 HG LEU A 108 15.720 1.551 -4.526 1.00 0.00 H new ATOM 0 HD11 LEU A 108 15.755 -0.785 -3.694 1.00 0.00 H new ATOM 0 HD12 LEU A 108 14.099 -0.277 -4.104 1.00 0.00 H new ATOM 0 HD13 LEU A 108 15.005 -1.336 -5.211 1.00 0.00 H new ATOM 0 HD21 LEU A 108 17.694 0.117 -4.981 1.00 0.00 H new ATOM 0 HD22 LEU A 108 16.944 -0.432 -6.499 1.00 0.00 H new ATOM 0 HD23 LEU A 108 17.423 1.271 -6.308 1.00 0.00 H new