USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 529 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 8 ASN : amide:sc= -4.31! C(o=-8.1!,f=-6.8!) USER MOD Set 1.2: A 19 GLN : amide:sc= -3.77! C(o=-8.1!,f=-19!) USER MOD Single : A 14 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.0685) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 152:sc= -0.0945 (180deg=-0.6) USER MOD Single : A 25 TYR OH : rot 110:sc= -2.26! USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 164:sc= -0.19 (180deg=-0.909) USER MOD Single : A 29 TYR OH : rot 108:sc= -0.833! USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -14.2! C(o=-14!,f=-13!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 137:sc= 0.526 USER MOD Single : A 43 LYS NZ :NH3+ -165:sc= 1.33 (180deg=0.94) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 22:sc= 0.666 USER MOD Single : A 59 SER OG : rot 180:sc=0.000614 USER MOD Single : A 63 LYS NZ :NH3+ 176:sc= 0.447 (180deg=0.442) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 62 N ARG A 6 -14.256 6.950 5.938 1.00 0.00 N ATOM 63 CA ARG A 6 -13.996 5.481 6.026 1.00 0.00 C ATOM 64 C ARG A 6 -13.933 4.917 4.603 1.00 0.00 C ATOM 65 O ARG A 6 -14.090 5.641 3.640 1.00 0.00 O ATOM 66 CB ARG A 6 -15.146 4.813 6.782 1.00 0.00 C ATOM 67 CG ARG A 6 -15.444 5.596 8.071 1.00 0.00 C ATOM 68 CD ARG A 6 -16.364 4.773 8.999 1.00 0.00 C ATOM 69 NE ARG A 6 -17.453 5.646 9.547 1.00 0.00 N ATOM 70 CZ ARG A 6 -17.190 6.811 10.082 1.00 0.00 C ATOM 71 NH1 ARG A 6 -15.956 7.212 10.221 1.00 0.00 N ATOM 72 NH2 ARG A 6 -18.168 7.564 10.505 1.00 0.00 N ATOM 0 HA ARG A 6 -13.059 5.292 6.549 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -16.035 4.778 6.153 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -14.885 3.783 7.023 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -14.512 5.830 8.586 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -15.919 6.546 7.826 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -16.798 3.939 8.448 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -15.782 4.347 9.816 1.00 0.00 H new ATOM 0 HE ARG A 6 -18.420 5.325 9.502 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -15.188 6.616 9.912 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -15.759 8.121 10.639 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -19.133 7.244 10.418 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -17.968 8.473 10.923 1.00 0.00 H new ATOM 86 N ASP A 7 -13.715 3.638 4.449 1.00 0.00 N ATOM 87 CA ASP A 7 -13.659 3.064 3.073 1.00 0.00 C ATOM 88 C ASP A 7 -15.081 2.987 2.509 1.00 0.00 C ATOM 89 O ASP A 7 -16.001 3.561 3.057 1.00 0.00 O ATOM 90 CB ASP A 7 -13.035 1.668 3.114 1.00 0.00 C ATOM 91 CG ASP A 7 -13.956 0.702 3.859 1.00 0.00 C ATOM 92 OD1 ASP A 7 -14.968 1.153 4.366 1.00 0.00 O ATOM 93 OD2 ASP A 7 -13.633 -0.475 3.909 1.00 0.00 O ATOM 0 H ASP A 7 -13.575 2.972 5.208 1.00 0.00 H new ATOM 0 HA ASP A 7 -13.046 3.700 2.434 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -12.862 1.309 2.100 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -12.064 1.710 3.607 1.00 0.00 H new ATOM 98 N ASN A 8 -15.281 2.287 1.423 1.00 0.00 N ATOM 99 CA ASN A 8 -16.654 2.196 0.856 1.00 0.00 C ATOM 100 C ASN A 8 -17.520 1.379 1.808 1.00 0.00 C ATOM 101 O ASN A 8 -18.732 1.398 1.737 1.00 0.00 O ATOM 102 CB ASN A 8 -16.609 1.518 -0.514 1.00 0.00 C ATOM 103 CG ASN A 8 -15.905 2.432 -1.522 1.00 0.00 C ATOM 104 OD1 ASN A 8 -15.923 3.639 -1.384 1.00 0.00 O ATOM 105 ND2 ASN A 8 -15.283 1.899 -2.539 1.00 0.00 N ATOM 0 H ASN A 8 -14.560 1.780 0.910 1.00 0.00 H new ATOM 0 HA ASN A 8 -17.072 3.196 0.737 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -16.082 0.567 -0.442 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -17.621 1.297 -0.854 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -14.812 2.496 -3.218 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -15.269 0.886 -2.654 1.00 0.00 H new ATOM 112 N ARG A 9 -16.897 0.658 2.703 1.00 0.00 N ATOM 113 CA ARG A 9 -17.655 -0.172 3.676 1.00 0.00 C ATOM 114 C ARG A 9 -17.697 0.560 5.020 1.00 0.00 C ATOM 115 O ARG A 9 -18.617 1.299 5.309 1.00 0.00 O ATOM 116 CB ARG A 9 -16.932 -1.512 3.843 1.00 0.00 C ATOM 117 CG ARG A 9 -17.278 -2.449 2.680 1.00 0.00 C ATOM 118 CD ARG A 9 -17.001 -1.774 1.336 1.00 0.00 C ATOM 119 NE ARG A 9 -16.824 -2.822 0.292 1.00 0.00 N ATOM 120 CZ ARG A 9 -16.944 -2.516 -0.969 1.00 0.00 C ATOM 121 NH1 ARG A 9 -17.267 -1.300 -1.315 1.00 0.00 N ATOM 122 NH2 ARG A 9 -16.756 -3.428 -1.884 1.00 0.00 N ATOM 0 H ARG A 9 -15.883 0.611 2.800 1.00 0.00 H new ATOM 0 HA ARG A 9 -18.671 -0.344 3.322 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -15.855 -1.350 3.881 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -17.219 -1.973 4.788 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -16.693 -3.365 2.759 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -18.328 -2.736 2.738 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -17.826 -1.113 1.070 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -16.106 -1.155 1.403 1.00 0.00 H new ATOM 0 HE ARG A 9 -16.608 -3.781 0.565 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -17.425 -0.591 -0.599 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -17.361 -1.059 -2.301 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -16.515 -4.381 -1.612 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -16.850 -3.187 -2.871 1.00 0.00 H new ATOM 136 N GLY A 10 -16.702 0.365 5.839 1.00 0.00 N ATOM 137 CA GLY A 10 -16.680 1.054 7.161 1.00 0.00 C ATOM 138 C GLY A 10 -15.311 0.880 7.826 1.00 0.00 C ATOM 139 O GLY A 10 -15.170 1.037 9.023 1.00 0.00 O ATOM 0 H GLY A 10 -15.903 -0.241 5.651 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -16.897 2.114 7.030 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -17.459 0.646 7.805 1.00 0.00 H new ATOM 143 N ARG A 11 -14.297 0.557 7.065 1.00 0.00 N ATOM 144 CA ARG A 11 -12.938 0.375 7.662 1.00 0.00 C ATOM 145 C ARG A 11 -12.188 1.710 7.655 1.00 0.00 C ATOM 146 O ARG A 11 -12.242 2.462 6.702 1.00 0.00 O ATOM 147 CB ARG A 11 -12.153 -0.655 6.847 1.00 0.00 C ATOM 148 CG ARG A 11 -12.817 -2.028 7.004 1.00 0.00 C ATOM 149 CD ARG A 11 -12.143 -3.052 6.085 1.00 0.00 C ATOM 150 NE ARG A 11 -12.674 -2.898 4.700 1.00 0.00 N ATOM 151 CZ ARG A 11 -12.076 -3.478 3.700 1.00 0.00 C ATOM 152 NH1 ARG A 11 -10.991 -4.175 3.904 1.00 0.00 N ATOM 153 NH2 ARG A 11 -12.563 -3.362 2.495 1.00 0.00 N ATOM 0 H ARG A 11 -14.350 0.411 6.057 1.00 0.00 H new ATOM 0 HA ARG A 11 -13.041 0.024 8.689 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.131 -0.366 5.796 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.119 -0.696 7.188 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.746 -2.357 8.041 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -13.878 -1.956 6.764 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.063 -2.907 6.091 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.331 -4.062 6.448 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.509 -2.336 4.536 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.612 -4.265 4.847 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.522 -4.630 3.121 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.411 -2.817 2.338 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.096 -3.816 1.710 1.00 0.00 H new ATOM 167 N ILE A 12 -11.492 2.010 8.715 1.00 0.00 N ATOM 168 CA ILE A 12 -10.735 3.295 8.783 1.00 0.00 C ATOM 169 C ILE A 12 -9.447 3.186 7.968 1.00 0.00 C ATOM 170 O ILE A 12 -8.677 2.257 8.123 1.00 0.00 O ATOM 171 CB ILE A 12 -10.366 3.591 10.238 1.00 0.00 C ATOM 172 CG1 ILE A 12 -11.636 3.670 11.104 1.00 0.00 C ATOM 173 CG2 ILE A 12 -9.596 4.914 10.314 1.00 0.00 C ATOM 174 CD1 ILE A 12 -12.606 4.728 10.559 1.00 0.00 C ATOM 0 H ILE A 12 -11.413 1.419 9.542 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.359 4.093 8.381 1.00 0.00 H new ATOM 0 HB ILE A 12 -9.736 2.786 10.616 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -12.127 2.697 11.126 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -11.366 3.914 12.132 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.334 5.123 11.351 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.687 4.840 9.718 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -10.219 5.720 9.927 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -13.495 4.765 11.188 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -12.119 5.703 10.561 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -12.893 4.468 9.540 1.00 0.00 H new ATOM 186 N LEU A 13 -9.197 4.140 7.113 1.00 0.00 N ATOM 187 CA LEU A 13 -7.946 4.113 6.296 1.00 0.00 C ATOM 188 C LEU A 13 -6.873 4.927 7.023 1.00 0.00 C ATOM 189 O LEU A 13 -7.178 5.855 7.743 1.00 0.00 O ATOM 190 CB LEU A 13 -8.218 4.752 4.933 1.00 0.00 C ATOM 191 CG LEU A 13 -9.440 4.092 4.287 1.00 0.00 C ATOM 192 CD1 LEU A 13 -9.774 4.823 2.983 1.00 0.00 C ATOM 193 CD2 LEU A 13 -9.150 2.605 4.002 1.00 0.00 C ATOM 0 H LEU A 13 -9.806 4.940 6.943 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.612 3.085 6.157 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.390 5.822 5.050 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.347 4.638 4.287 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.290 4.154 4.967 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.643 4.358 2.518 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.993 5.869 3.198 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.923 4.763 2.304 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.025 2.145 3.543 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.300 2.523 3.325 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.920 2.094 4.937 1.00 0.00 H new ATOM 205 N LYS A 14 -5.622 4.593 6.851 1.00 0.00 N ATOM 206 CA LYS A 14 -4.549 5.364 7.547 1.00 0.00 C ATOM 207 C LYS A 14 -4.134 6.556 6.683 1.00 0.00 C ATOM 208 O LYS A 14 -4.532 6.681 5.541 1.00 0.00 O ATOM 209 CB LYS A 14 -3.339 4.450 7.796 1.00 0.00 C ATOM 210 CG LYS A 14 -3.832 3.017 8.058 1.00 0.00 C ATOM 211 CD LYS A 14 -2.753 2.214 8.799 1.00 0.00 C ATOM 212 CE LYS A 14 -2.589 2.721 10.252 1.00 0.00 C ATOM 213 NZ LYS A 14 -1.240 3.333 10.408 1.00 0.00 N ATOM 0 H LYS A 14 -5.297 3.825 6.263 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.923 5.729 8.503 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.673 4.466 6.934 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.765 4.811 8.649 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.748 3.042 8.649 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.075 2.529 7.114 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.021 1.157 8.806 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.803 2.299 8.270 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.363 3.453 10.484 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.710 1.896 10.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.228 3.935 11.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.527 2.582 10.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.022 3.910 9.571 1.00 0.00 H new ATOM 227 N THR A 15 -3.340 7.431 7.224 1.00 0.00 N ATOM 228 CA THR A 15 -2.890 8.624 6.445 1.00 0.00 C ATOM 229 C THR A 15 -2.169 8.177 5.170 1.00 0.00 C ATOM 230 O THR A 15 -1.356 7.274 5.190 1.00 0.00 O ATOM 231 CB THR A 15 -1.937 9.473 7.293 1.00 0.00 C ATOM 232 OG1 THR A 15 -2.551 9.765 8.542 1.00 0.00 O ATOM 233 CG2 THR A 15 -1.632 10.780 6.561 1.00 0.00 C ATOM 0 H THR A 15 -2.979 7.376 8.176 1.00 0.00 H new ATOM 0 HA THR A 15 -3.765 9.217 6.177 1.00 0.00 H new ATOM 0 HB THR A 15 -1.010 8.924 7.460 1.00 0.00 H new ATOM 0 HG1 THR A 15 -1.943 10.307 9.087 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.954 11.385 7.163 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.165 10.559 5.601 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.559 11.329 6.396 1.00 0.00 H new ATOM 241 N GLY A 16 -2.444 8.819 4.064 1.00 0.00 N ATOM 242 CA GLY A 16 -1.757 8.452 2.786 1.00 0.00 C ATOM 243 C GLY A 16 -2.594 7.448 1.982 1.00 0.00 C ATOM 244 O GLY A 16 -2.466 7.359 0.777 1.00 0.00 O ATOM 0 H GLY A 16 -3.116 9.583 3.989 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.586 9.349 2.190 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.779 8.023 3.004 1.00 0.00 H new ATOM 248 N GLU A 17 -3.444 6.686 2.621 1.00 0.00 N ATOM 249 CA GLU A 17 -4.264 5.696 1.861 1.00 0.00 C ATOM 250 C GLU A 17 -5.484 6.387 1.241 1.00 0.00 C ATOM 251 O GLU A 17 -5.920 7.427 1.692 1.00 0.00 O ATOM 252 CB GLU A 17 -4.736 4.575 2.803 1.00 0.00 C ATOM 253 CG GLU A 17 -3.582 3.603 3.114 1.00 0.00 C ATOM 254 CD GLU A 17 -2.705 4.167 4.234 1.00 0.00 C ATOM 255 OE1 GLU A 17 -2.882 5.323 4.574 1.00 0.00 O ATOM 256 OE2 GLU A 17 -1.873 3.430 4.735 1.00 0.00 O ATOM 0 H GLU A 17 -3.605 6.706 3.628 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.651 5.270 1.067 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.114 5.007 3.730 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.562 4.032 2.344 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.983 2.633 3.409 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.982 3.441 2.219 1.00 0.00 H new ATOM 263 N SER A 18 -6.031 5.804 0.204 1.00 0.00 N ATOM 264 CA SER A 18 -7.222 6.403 -0.468 1.00 0.00 C ATOM 265 C SER A 18 -7.957 5.318 -1.263 1.00 0.00 C ATOM 266 O SER A 18 -7.348 4.406 -1.787 1.00 0.00 O ATOM 267 CB SER A 18 -6.767 7.505 -1.429 1.00 0.00 C ATOM 268 OG SER A 18 -7.883 7.955 -2.188 1.00 0.00 O ATOM 0 H SER A 18 -5.700 4.932 -0.208 1.00 0.00 H new ATOM 0 HA SER A 18 -7.888 6.824 0.285 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.334 8.335 -0.871 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.989 7.127 -2.093 1.00 0.00 H new ATOM 0 HG SER A 18 -7.596 8.662 -2.803 1.00 0.00 H new ATOM 274 N GLN A 19 -9.262 5.417 -1.368 1.00 0.00 N ATOM 275 CA GLN A 19 -10.046 4.398 -2.145 1.00 0.00 C ATOM 276 C GLN A 19 -10.497 5.032 -3.463 1.00 0.00 C ATOM 277 O GLN A 19 -10.986 6.143 -3.491 1.00 0.00 O ATOM 278 CB GLN A 19 -11.273 3.956 -1.336 1.00 0.00 C ATOM 279 CG GLN A 19 -11.973 2.788 -2.048 1.00 0.00 C ATOM 280 CD GLN A 19 -12.874 2.041 -1.063 1.00 0.00 C ATOM 281 OE1 GLN A 19 -13.464 2.639 -0.185 1.00 0.00 O ATOM 282 NE2 GLN A 19 -13.002 0.746 -1.170 1.00 0.00 N ATOM 0 H GLN A 19 -9.820 6.160 -0.949 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.425 3.525 -2.344 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.969 3.654 -0.334 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.964 4.791 -1.221 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.565 3.162 -2.883 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.230 2.107 -2.463 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.507 0.244 -1.907 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -13.597 0.237 -0.517 1.00 0.00 H new ATOM 291 N ARG A 20 -10.320 4.343 -4.560 1.00 0.00 N ATOM 292 CA ARG A 20 -10.722 4.916 -5.879 1.00 0.00 C ATOM 293 C ARG A 20 -12.219 4.690 -6.110 1.00 0.00 C ATOM 294 O ARG A 20 -12.854 3.909 -5.431 1.00 0.00 O ATOM 295 CB ARG A 20 -9.918 4.244 -7.006 1.00 0.00 C ATOM 296 CG ARG A 20 -8.504 3.909 -6.519 1.00 0.00 C ATOM 297 CD ARG A 20 -7.778 5.168 -6.054 1.00 0.00 C ATOM 298 NE ARG A 20 -7.717 6.156 -7.166 1.00 0.00 N ATOM 299 CZ ARG A 20 -7.417 7.403 -6.917 1.00 0.00 C ATOM 300 NH1 ARG A 20 -7.165 7.784 -5.692 1.00 0.00 N ATOM 301 NH2 ARG A 20 -7.365 8.267 -7.894 1.00 0.00 N ATOM 0 H ARG A 20 -9.914 3.408 -4.600 1.00 0.00 H new ATOM 0 HA ARG A 20 -10.517 5.986 -5.879 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.424 3.335 -7.331 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.866 4.906 -7.870 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.557 3.191 -5.700 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.941 3.435 -7.323 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.295 5.602 -5.198 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.770 4.916 -5.723 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.910 5.859 -8.123 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.202 7.107 -4.930 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.931 8.758 -5.499 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.558 7.968 -8.850 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.131 9.241 -7.702 1.00 0.00 H new ATOM 315 N LYS A 21 -12.786 5.366 -7.072 1.00 0.00 N ATOM 316 CA LYS A 21 -14.237 5.186 -7.353 1.00 0.00 C ATOM 317 C LYS A 21 -14.480 3.733 -7.753 1.00 0.00 C ATOM 318 O LYS A 21 -15.597 3.252 -7.748 1.00 0.00 O ATOM 319 CB LYS A 21 -14.669 6.118 -8.497 1.00 0.00 C ATOM 320 CG LYS A 21 -14.206 7.573 -8.214 1.00 0.00 C ATOM 321 CD LYS A 21 -12.925 7.891 -9.013 1.00 0.00 C ATOM 322 CE LYS A 21 -13.295 8.318 -10.439 1.00 0.00 C ATOM 323 NZ LYS A 21 -13.975 9.645 -10.407 1.00 0.00 N ATOM 0 H LYS A 21 -12.307 6.035 -7.675 1.00 0.00 H new ATOM 0 HA LYS A 21 -14.818 5.430 -6.464 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.243 5.771 -9.438 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.753 6.090 -8.608 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.996 8.273 -8.486 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.019 7.702 -7.148 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.365 8.685 -8.519 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.277 7.015 -9.042 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.398 8.373 -11.056 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.950 7.574 -10.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.806 10.143 -11.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.997 9.508 -10.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.596 10.210 -9.620 1.00 0.00 H new ATOM 337 N ASP A 22 -13.435 3.029 -8.102 1.00 0.00 N ATOM 338 CA ASP A 22 -13.594 1.600 -8.504 1.00 0.00 C ATOM 339 C ASP A 22 -13.541 0.711 -7.258 1.00 0.00 C ATOM 340 O ASP A 22 -13.855 -0.462 -7.308 1.00 0.00 O ATOM 341 CB ASP A 22 -12.468 1.212 -9.465 1.00 0.00 C ATOM 342 CG ASP A 22 -12.703 1.888 -10.817 1.00 0.00 C ATOM 343 OD1 ASP A 22 -13.736 2.525 -10.967 1.00 0.00 O ATOM 344 OD2 ASP A 22 -11.854 1.755 -11.683 1.00 0.00 O ATOM 0 H ASP A 22 -12.478 3.382 -8.126 1.00 0.00 H new ATOM 0 HA ASP A 22 -14.554 1.465 -9.002 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.504 1.516 -9.056 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.435 0.129 -9.587 1.00 0.00 H new ATOM 349 N GLY A 23 -13.172 1.269 -6.130 1.00 0.00 N ATOM 350 CA GLY A 23 -13.125 0.472 -4.860 1.00 0.00 C ATOM 351 C GLY A 23 -11.687 0.057 -4.512 1.00 0.00 C ATOM 352 O GLY A 23 -11.355 -0.112 -3.355 1.00 0.00 O ATOM 0 H GLY A 23 -12.900 2.247 -6.033 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.543 1.061 -4.043 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.747 -0.417 -4.963 1.00 0.00 H new ATOM 356 N ARG A 24 -10.828 -0.120 -5.483 1.00 0.00 N ATOM 357 CA ARG A 24 -9.429 -0.538 -5.154 1.00 0.00 C ATOM 358 C ARG A 24 -8.799 0.492 -4.216 1.00 0.00 C ATOM 359 O ARG A 24 -9.218 1.629 -4.159 1.00 0.00 O ATOM 360 CB ARG A 24 -8.591 -0.653 -6.437 1.00 0.00 C ATOM 361 CG ARG A 24 -8.383 0.721 -7.057 1.00 0.00 C ATOM 362 CD ARG A 24 -7.788 0.568 -8.459 1.00 0.00 C ATOM 363 NE ARG A 24 -8.728 -0.186 -9.332 1.00 0.00 N ATOM 364 CZ ARG A 24 -8.553 -0.177 -10.624 1.00 0.00 C ATOM 365 NH1 ARG A 24 -7.585 0.529 -11.143 1.00 0.00 N ATOM 366 NH2 ARG A 24 -9.344 -0.867 -11.395 1.00 0.00 N ATOM 0 H ARG A 24 -11.029 0.004 -6.475 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.454 -1.512 -4.665 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.626 -1.107 -6.210 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.092 -1.309 -7.149 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.332 1.254 -7.110 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.718 1.316 -6.432 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.589 1.550 -8.888 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.833 0.046 -8.403 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.504 -0.706 -8.922 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.968 1.071 -10.538 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.445 0.538 -12.153 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.102 -1.415 -10.988 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.206 -0.859 -12.406 1.00 0.00 H new ATOM 380 N TYR A 25 -7.799 0.098 -3.468 1.00 0.00 N ATOM 381 CA TYR A 25 -7.135 1.045 -2.526 1.00 0.00 C ATOM 382 C TYR A 25 -5.834 1.555 -3.150 1.00 0.00 C ATOM 383 O TYR A 25 -5.355 1.028 -4.135 1.00 0.00 O ATOM 384 CB TYR A 25 -6.814 0.328 -1.219 1.00 0.00 C ATOM 385 CG TYR A 25 -8.092 -0.138 -0.561 1.00 0.00 C ATOM 386 CD1 TYR A 25 -8.997 0.802 -0.058 1.00 0.00 C ATOM 387 CD2 TYR A 25 -8.370 -1.508 -0.448 1.00 0.00 C ATOM 388 CE1 TYR A 25 -10.179 0.378 0.557 1.00 0.00 C ATOM 389 CE2 TYR A 25 -9.554 -1.933 0.170 1.00 0.00 C ATOM 390 CZ TYR A 25 -10.458 -0.989 0.672 1.00 0.00 C ATOM 391 OH TYR A 25 -11.625 -1.409 1.282 1.00 0.00 O ATOM 0 H TYR A 25 -7.413 -0.846 -3.471 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.803 1.883 -2.328 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.162 -0.524 -1.412 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -6.273 0.998 -0.550 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -8.783 1.857 -0.145 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.672 -2.235 -0.837 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -10.877 1.106 0.944 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.769 -2.988 0.259 1.00 0.00 H new ATOM 0 HH TYR A 25 -12.227 -1.790 0.609 1.00 0.00 H new ATOM 401 N LEU A 26 -5.262 2.582 -2.584 1.00 0.00 N ATOM 402 CA LEU A 26 -3.995 3.144 -3.135 1.00 0.00 C ATOM 403 C LEU A 26 -3.198 3.820 -2.014 1.00 0.00 C ATOM 404 O LEU A 26 -3.745 4.489 -1.160 1.00 0.00 O ATOM 405 CB LEU A 26 -4.342 4.170 -4.235 1.00 0.00 C ATOM 406 CG LEU A 26 -3.129 5.098 -4.546 1.00 0.00 C ATOM 407 CD1 LEU A 26 -3.044 5.379 -6.056 1.00 0.00 C ATOM 408 CD2 LEU A 26 -3.282 6.431 -3.783 1.00 0.00 C ATOM 0 H LEU A 26 -5.620 3.060 -1.757 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.388 2.345 -3.561 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.644 3.646 -5.142 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.192 4.773 -3.917 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.215 4.597 -4.226 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.192 6.028 -6.258 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.920 4.439 -6.594 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.960 5.869 -6.387 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.432 7.076 -4.004 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.203 6.925 -4.094 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.320 6.235 -2.712 1.00 0.00 H new ATOM 420 N TYR A 27 -1.898 3.670 -2.040 1.00 0.00 N ATOM 421 CA TYR A 27 -1.025 4.317 -1.012 1.00 0.00 C ATOM 422 C TYR A 27 0.172 4.945 -1.735 1.00 0.00 C ATOM 423 O TYR A 27 0.592 4.469 -2.772 1.00 0.00 O ATOM 424 CB TYR A 27 -0.541 3.277 0.006 1.00 0.00 C ATOM 425 CG TYR A 27 0.395 3.943 0.988 1.00 0.00 C ATOM 426 CD1 TYR A 27 -0.120 4.794 1.975 1.00 0.00 C ATOM 427 CD2 TYR A 27 1.775 3.716 0.912 1.00 0.00 C ATOM 428 CE1 TYR A 27 0.743 5.415 2.885 1.00 0.00 C ATOM 429 CE2 TYR A 27 2.637 4.340 1.824 1.00 0.00 C ATOM 430 CZ TYR A 27 2.120 5.189 2.809 1.00 0.00 C ATOM 431 OH TYR A 27 2.971 5.801 3.708 1.00 0.00 O ATOM 0 H TYR A 27 -1.398 3.120 -2.738 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.584 5.081 -0.472 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.391 2.843 0.532 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.031 2.460 -0.505 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -1.184 4.971 2.033 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.174 3.061 0.152 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.345 6.069 3.646 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.701 4.165 1.767 1.00 0.00 H new ATOM 0 HH TYR A 27 3.895 5.536 3.516 1.00 0.00 H new ATOM 441 N LYS A 28 0.708 6.023 -1.215 1.00 0.00 N ATOM 442 CA LYS A 28 1.862 6.709 -1.889 1.00 0.00 C ATOM 443 C LYS A 28 3.123 6.632 -1.021 1.00 0.00 C ATOM 444 O LYS A 28 3.085 6.857 0.173 1.00 0.00 O ATOM 445 CB LYS A 28 1.488 8.180 -2.125 1.00 0.00 C ATOM 446 CG LYS A 28 2.670 8.953 -2.770 1.00 0.00 C ATOM 447 CD LYS A 28 3.321 9.883 -1.738 1.00 0.00 C ATOM 448 CE LYS A 28 4.620 10.455 -2.310 1.00 0.00 C ATOM 449 NZ LYS A 28 4.305 11.381 -3.431 1.00 0.00 N ATOM 0 H LYS A 28 0.396 6.461 -0.348 1.00 0.00 H new ATOM 0 HA LYS A 28 2.070 6.213 -2.837 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.613 8.238 -2.773 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.216 8.647 -1.179 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.409 8.249 -3.153 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.313 9.534 -3.620 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.638 10.692 -1.481 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.527 9.335 -0.818 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.170 10.984 -1.532 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.262 9.647 -2.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.137 11.969 -3.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.049 10.830 -4.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.508 11.993 -3.162 1.00 0.00 H new ATOM 463 N TYR A 29 4.246 6.319 -1.624 1.00 0.00 N ATOM 464 CA TYR A 29 5.525 6.233 -0.857 1.00 0.00 C ATOM 465 C TYR A 29 6.663 6.780 -1.725 1.00 0.00 C ATOM 466 O TYR A 29 6.517 6.927 -2.923 1.00 0.00 O ATOM 467 CB TYR A 29 5.799 4.765 -0.463 1.00 0.00 C ATOM 468 CG TYR A 29 6.454 3.995 -1.598 1.00 0.00 C ATOM 469 CD1 TYR A 29 5.754 3.766 -2.790 1.00 0.00 C ATOM 470 CD2 TYR A 29 7.760 3.502 -1.451 1.00 0.00 C ATOM 471 CE1 TYR A 29 6.357 3.048 -3.831 1.00 0.00 C ATOM 472 CE2 TYR A 29 8.361 2.785 -2.490 1.00 0.00 C ATOM 473 CZ TYR A 29 7.661 2.557 -3.680 1.00 0.00 C ATOM 474 OH TYR A 29 8.254 1.847 -4.705 1.00 0.00 O ATOM 0 H TYR A 29 4.329 6.119 -2.621 1.00 0.00 H new ATOM 0 HA TYR A 29 5.454 6.826 0.055 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.443 4.738 0.416 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.862 4.281 -0.187 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.749 4.143 -2.906 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.302 3.677 -0.533 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.817 2.873 -4.750 1.00 0.00 H new ATOM 0 HE2 TYR A 29 9.366 2.407 -2.374 1.00 0.00 H new ATOM 0 HH TYR A 29 8.953 2.394 -5.120 1.00 0.00 H new ATOM 484 N ILE A 30 7.794 7.071 -1.134 1.00 0.00 N ATOM 485 CA ILE A 30 8.954 7.599 -1.923 1.00 0.00 C ATOM 486 C ILE A 30 10.011 6.503 -2.014 1.00 0.00 C ATOM 487 O ILE A 30 10.252 5.782 -1.065 1.00 0.00 O ATOM 488 CB ILE A 30 9.508 8.850 -1.232 1.00 0.00 C ATOM 489 CG1 ILE A 30 8.402 9.923 -1.256 1.00 0.00 C ATOM 490 CG2 ILE A 30 10.756 9.343 -1.982 1.00 0.00 C ATOM 491 CD1 ILE A 30 8.924 11.281 -0.768 1.00 0.00 C ATOM 0 H ILE A 30 7.967 6.966 -0.134 1.00 0.00 H new ATOM 0 HA ILE A 30 8.646 7.879 -2.931 1.00 0.00 H new ATOM 0 HB ILE A 30 9.796 8.634 -0.203 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.014 10.024 -2.270 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.571 9.604 -0.627 1.00 0.00 H new ATOM 0 HG21 ILE A 30 11.149 10.233 -1.490 1.00 0.00 H new ATOM 0 HG22 ILE A 30 11.515 8.561 -1.978 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.490 9.585 -3.011 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.117 12.013 -0.798 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.288 11.185 0.255 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.738 11.611 -1.413 1.00 0.00 H new ATOM 503 N ASP A 31 10.635 6.348 -3.150 1.00 0.00 N ATOM 504 CA ASP A 31 11.652 5.276 -3.285 1.00 0.00 C ATOM 505 C ASP A 31 12.978 5.764 -2.702 1.00 0.00 C ATOM 506 O ASP A 31 13.201 6.950 -2.553 1.00 0.00 O ATOM 507 CB ASP A 31 11.833 4.921 -4.759 1.00 0.00 C ATOM 508 CG ASP A 31 10.473 4.596 -5.377 1.00 0.00 C ATOM 509 OD1 ASP A 31 9.549 4.334 -4.625 1.00 0.00 O ATOM 510 OD2 ASP A 31 10.379 4.612 -6.593 1.00 0.00 O ATOM 0 H ASP A 31 10.483 6.915 -3.984 1.00 0.00 H new ATOM 0 HA ASP A 31 11.322 4.389 -2.745 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.296 5.753 -5.290 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.503 4.067 -4.859 1.00 0.00 H new ATOM 515 N SER A 32 13.859 4.865 -2.365 1.00 0.00 N ATOM 516 CA SER A 32 15.166 5.282 -1.786 1.00 0.00 C ATOM 517 C SER A 32 15.899 6.205 -2.759 1.00 0.00 C ATOM 518 O SER A 32 16.971 6.696 -2.463 1.00 0.00 O ATOM 519 CB SER A 32 16.027 4.053 -1.509 1.00 0.00 C ATOM 520 OG SER A 32 15.365 3.219 -0.569 1.00 0.00 O ATOM 0 H SER A 32 13.730 3.858 -2.466 1.00 0.00 H new ATOM 0 HA SER A 32 14.982 5.814 -0.853 1.00 0.00 H new ATOM 0 HB2 SER A 32 16.208 3.506 -2.434 1.00 0.00 H new ATOM 0 HB3 SER A 32 17.000 4.356 -1.122 1.00 0.00 H new ATOM 0 HG SER A 32 15.914 2.428 -0.390 1.00 0.00 H new ATOM 526 N PHE A 33 15.338 6.454 -3.918 1.00 0.00 N ATOM 527 CA PHE A 33 16.023 7.351 -4.896 1.00 0.00 C ATOM 528 C PHE A 33 15.469 8.769 -4.729 1.00 0.00 C ATOM 529 O PHE A 33 16.060 9.730 -5.177 1.00 0.00 O ATOM 530 CB PHE A 33 15.762 6.855 -6.323 1.00 0.00 C ATOM 531 CG PHE A 33 16.232 5.423 -6.457 1.00 0.00 C ATOM 532 CD1 PHE A 33 17.581 5.141 -6.709 1.00 0.00 C ATOM 533 CD2 PHE A 33 15.316 4.376 -6.325 1.00 0.00 C ATOM 534 CE1 PHE A 33 18.008 3.812 -6.829 1.00 0.00 C ATOM 535 CE2 PHE A 33 15.740 3.047 -6.444 1.00 0.00 C ATOM 536 CZ PHE A 33 17.088 2.766 -6.697 1.00 0.00 C ATOM 0 H PHE A 33 14.442 6.077 -4.226 1.00 0.00 H new ATOM 0 HA PHE A 33 17.098 7.349 -4.715 1.00 0.00 H new ATOM 0 HB2 PHE A 33 14.699 6.922 -6.553 1.00 0.00 H new ATOM 0 HB3 PHE A 33 16.284 7.488 -7.040 1.00 0.00 H new ATOM 0 HD1 PHE A 33 18.292 5.948 -6.811 1.00 0.00 H new ATOM 0 HD2 PHE A 33 14.276 4.593 -6.130 1.00 0.00 H new ATOM 0 HE1 PHE A 33 19.048 3.595 -7.024 1.00 0.00 H new ATOM 0 HE2 PHE A 33 15.029 2.241 -6.341 1.00 0.00 H new ATOM 0 HZ PHE A 33 17.418 1.742 -6.790 1.00 0.00 H new ATOM 546 N GLY A 34 14.348 8.910 -4.055 1.00 0.00 N ATOM 547 CA GLY A 34 13.765 10.272 -3.816 1.00 0.00 C ATOM 548 C GLY A 34 12.585 10.524 -4.753 1.00 0.00 C ATOM 549 O GLY A 34 11.915 11.531 -4.658 1.00 0.00 O ATOM 0 H GLY A 34 13.811 8.138 -3.660 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.438 10.357 -2.780 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.529 11.033 -3.972 1.00 0.00 H new ATOM 553 N GLU A 35 12.319 9.627 -5.660 1.00 0.00 N ATOM 554 CA GLU A 35 11.176 9.837 -6.598 1.00 0.00 C ATOM 555 C GLU A 35 9.868 9.352 -5.938 1.00 0.00 C ATOM 556 O GLU A 35 9.878 8.376 -5.217 1.00 0.00 O ATOM 557 CB GLU A 35 11.436 9.053 -7.889 1.00 0.00 C ATOM 558 CG GLU A 35 11.677 7.577 -7.572 1.00 0.00 C ATOM 559 CD GLU A 35 12.086 6.840 -8.849 1.00 0.00 C ATOM 560 OE1 GLU A 35 12.381 7.508 -9.828 1.00 0.00 O ATOM 561 OE2 GLU A 35 12.098 5.620 -8.830 1.00 0.00 O ATOM 0 H GLU A 35 12.840 8.760 -5.794 1.00 0.00 H new ATOM 0 HA GLU A 35 11.080 10.897 -6.832 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.584 9.153 -8.562 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.301 9.467 -8.406 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.457 7.479 -6.817 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.773 7.131 -7.156 1.00 0.00 H new ATOM 568 N PRO A 36 8.747 10.018 -6.173 1.00 0.00 N ATOM 569 CA PRO A 36 7.431 9.613 -5.584 1.00 0.00 C ATOM 570 C PRO A 36 6.743 8.515 -6.413 1.00 0.00 C ATOM 571 O PRO A 36 6.762 8.549 -7.628 1.00 0.00 O ATOM 572 CB PRO A 36 6.624 10.909 -5.655 1.00 0.00 C ATOM 573 CG PRO A 36 7.092 11.544 -6.919 1.00 0.00 C ATOM 574 CD PRO A 36 8.593 11.231 -7.010 1.00 0.00 C ATOM 0 HA PRO A 36 7.530 9.198 -4.581 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.552 10.713 -5.678 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.813 11.547 -4.792 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.556 11.144 -7.780 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.916 12.620 -6.905 1.00 0.00 H new ATOM 0 HD2 PRO A 36 8.903 11.050 -8.039 1.00 0.00 H new ATOM 0 HD3 PRO A 36 9.198 12.056 -6.635 1.00 0.00 H new ATOM 582 N GLN A 37 6.131 7.547 -5.771 1.00 0.00 N ATOM 583 CA GLN A 37 5.435 6.448 -6.526 1.00 0.00 C ATOM 584 C GLN A 37 4.082 6.158 -5.870 1.00 0.00 C ATOM 585 O GLN A 37 3.766 6.669 -4.816 1.00 0.00 O ATOM 586 CB GLN A 37 6.293 5.165 -6.498 1.00 0.00 C ATOM 587 CG GLN A 37 7.312 5.187 -7.642 1.00 0.00 C ATOM 588 CD GLN A 37 8.295 6.322 -7.403 1.00 0.00 C ATOM 589 OE1 GLN A 37 8.692 7.008 -8.323 1.00 0.00 O ATOM 590 NE2 GLN A 37 8.704 6.552 -6.188 1.00 0.00 N ATOM 0 H GLN A 37 6.082 7.468 -4.755 1.00 0.00 H new ATOM 0 HA GLN A 37 5.288 6.764 -7.559 1.00 0.00 H new ATOM 0 HB2 GLN A 37 6.810 5.085 -5.542 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.652 4.288 -6.588 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.841 4.235 -7.695 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.804 5.323 -8.597 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.368 5.973 -5.418 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.361 7.311 -6.006 1.00 0.00 H new ATOM 599 N PHE A 38 3.287 5.327 -6.493 1.00 0.00 N ATOM 600 CA PHE A 38 1.955 4.974 -5.924 1.00 0.00 C ATOM 601 C PHE A 38 1.744 3.463 -6.081 1.00 0.00 C ATOM 602 O PHE A 38 2.082 2.887 -7.096 1.00 0.00 O ATOM 603 CB PHE A 38 0.860 5.727 -6.683 1.00 0.00 C ATOM 604 CG PHE A 38 1.025 7.221 -6.496 1.00 0.00 C ATOM 605 CD1 PHE A 38 1.967 7.924 -7.255 1.00 0.00 C ATOM 606 CD2 PHE A 38 0.224 7.905 -5.574 1.00 0.00 C ATOM 607 CE1 PHE A 38 2.109 9.309 -7.090 1.00 0.00 C ATOM 608 CE2 PHE A 38 0.366 9.288 -5.408 1.00 0.00 C ATOM 609 CZ PHE A 38 1.307 9.990 -6.166 1.00 0.00 C ATOM 0 H PHE A 38 3.507 4.874 -7.380 1.00 0.00 H new ATOM 0 HA PHE A 38 1.912 5.250 -4.870 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.906 5.479 -7.743 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.121 5.415 -6.325 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.585 7.399 -7.968 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.505 7.364 -4.989 1.00 0.00 H new ATOM 0 HE1 PHE A 38 2.837 9.851 -7.676 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.252 9.812 -4.694 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.416 11.057 -6.039 1.00 0.00 H new ATOM 619 N VAL A 39 1.186 2.818 -5.082 1.00 0.00 N ATOM 620 CA VAL A 39 0.943 1.339 -5.154 1.00 0.00 C ATOM 621 C VAL A 39 -0.567 1.093 -5.199 1.00 0.00 C ATOM 622 O VAL A 39 -1.350 1.894 -4.726 1.00 0.00 O ATOM 623 CB VAL A 39 1.543 0.657 -3.903 1.00 0.00 C ATOM 624 CG1 VAL A 39 2.990 0.228 -4.163 1.00 0.00 C ATOM 625 CG2 VAL A 39 1.518 1.641 -2.736 1.00 0.00 C ATOM 0 H VAL A 39 0.886 3.257 -4.212 1.00 0.00 H new ATOM 0 HA VAL A 39 1.413 0.925 -6.046 1.00 0.00 H new ATOM 0 HB VAL A 39 0.950 -0.227 -3.668 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.394 -0.250 -3.270 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.017 -0.476 -4.995 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.591 1.104 -4.409 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.940 1.166 -1.850 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.107 2.522 -2.990 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.489 1.938 -2.533 1.00 0.00 H new ATOM 635 N TYR A 40 -0.972 -0.014 -5.764 1.00 0.00 N ATOM 636 CA TYR A 40 -2.427 -0.348 -5.855 1.00 0.00 C ATOM 637 C TYR A 40 -2.665 -1.735 -5.256 1.00 0.00 C ATOM 638 O TYR A 40 -1.801 -2.590 -5.273 1.00 0.00 O ATOM 639 CB TYR A 40 -2.850 -0.367 -7.325 1.00 0.00 C ATOM 640 CG TYR A 40 -2.931 1.042 -7.860 1.00 0.00 C ATOM 641 CD1 TYR A 40 -1.776 1.697 -8.307 1.00 0.00 C ATOM 642 CD2 TYR A 40 -4.168 1.688 -7.920 1.00 0.00 C ATOM 643 CE1 TYR A 40 -1.864 2.999 -8.815 1.00 0.00 C ATOM 644 CE2 TYR A 40 -4.260 2.985 -8.425 1.00 0.00 C ATOM 645 CZ TYR A 40 -3.108 3.645 -8.876 1.00 0.00 C ATOM 646 OH TYR A 40 -3.197 4.928 -9.376 1.00 0.00 O ATOM 0 H TYR A 40 -0.349 -0.711 -6.172 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.006 0.398 -5.310 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.135 -0.946 -7.910 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -3.817 -0.859 -7.427 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -0.819 1.198 -8.260 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.057 1.181 -7.574 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.975 3.506 -9.160 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -5.218 3.481 -8.469 1.00 0.00 H new ATOM 0 HH TYR A 40 -4.130 5.226 -9.348 1.00 0.00 H new ATOM 656 N SER A 41 -3.834 -1.961 -4.730 1.00 0.00 N ATOM 657 CA SER A 41 -4.143 -3.287 -4.133 1.00 0.00 C ATOM 658 C SER A 41 -5.644 -3.374 -3.864 1.00 0.00 C ATOM 659 O SER A 41 -6.251 -2.441 -3.376 1.00 0.00 O ATOM 660 CB SER A 41 -3.375 -3.456 -2.820 1.00 0.00 C ATOM 661 OG SER A 41 -3.804 -4.648 -2.176 1.00 0.00 O ATOM 0 H SER A 41 -4.593 -1.281 -4.688 1.00 0.00 H new ATOM 0 HA SER A 41 -3.845 -4.077 -4.823 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.303 -3.500 -3.015 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.546 -2.597 -2.172 1.00 0.00 H new ATOM 0 HG SER A 41 -3.026 -5.127 -1.823 1.00 0.00 H new ATOM 667 N TRP A 42 -6.250 -4.485 -4.179 1.00 0.00 N ATOM 668 CA TRP A 42 -7.714 -4.634 -3.944 1.00 0.00 C ATOM 669 C TRP A 42 -7.945 -5.146 -2.523 1.00 0.00 C ATOM 670 O TRP A 42 -9.032 -5.565 -2.172 1.00 0.00 O ATOM 671 CB TRP A 42 -8.278 -5.639 -4.952 1.00 0.00 C ATOM 672 CG TRP A 42 -8.502 -4.967 -6.259 1.00 0.00 C ATOM 673 CD1 TRP A 42 -7.584 -4.847 -7.238 1.00 0.00 C ATOM 674 CD2 TRP A 42 -9.711 -4.323 -6.745 1.00 0.00 C ATOM 675 NE1 TRP A 42 -8.151 -4.167 -8.294 1.00 0.00 N ATOM 676 CE2 TRP A 42 -9.462 -3.828 -8.040 1.00 0.00 C ATOM 677 CE3 TRP A 42 -10.989 -4.125 -6.191 1.00 0.00 C ATOM 678 CZ2 TRP A 42 -10.441 -3.159 -8.768 1.00 0.00 C ATOM 679 CZ3 TRP A 42 -11.981 -3.450 -6.920 1.00 0.00 C ATOM 680 CH2 TRP A 42 -11.708 -2.969 -8.208 1.00 0.00 C ATOM 0 H TRP A 42 -5.793 -5.299 -4.590 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.213 -3.673 -4.067 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.586 -6.472 -5.075 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.215 -6.054 -4.581 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -6.572 -5.222 -7.201 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -7.660 -3.942 -9.159 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -11.208 -4.494 -5.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -10.224 -2.789 -9.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -12.959 -3.301 -6.486 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.475 -2.453 -8.767 1.00 0.00 H new ATOM 691 N LYS A 43 -6.926 -5.113 -1.705 1.00 0.00 N ATOM 692 CA LYS A 43 -7.057 -5.590 -0.297 1.00 0.00 C ATOM 693 C LYS A 43 -6.481 -4.549 0.649 1.00 0.00 C ATOM 694 O LYS A 43 -5.394 -4.045 0.456 1.00 0.00 O ATOM 695 CB LYS A 43 -6.269 -6.889 -0.137 1.00 0.00 C ATOM 696 CG LYS A 43 -6.970 -8.002 -0.918 1.00 0.00 C ATOM 697 CD LYS A 43 -6.451 -9.375 -0.477 1.00 0.00 C ATOM 698 CE LYS A 43 -5.021 -9.567 -0.972 1.00 0.00 C ATOM 699 NZ LYS A 43 -4.593 -10.972 -0.718 1.00 0.00 N ATOM 0 H LYS A 43 -5.998 -4.772 -1.956 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.109 -5.755 -0.065 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.250 -6.758 -0.502 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.197 -7.157 0.917 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.047 -7.945 -0.757 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.799 -7.868 -1.986 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.484 -9.455 0.610 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.092 -10.162 -0.874 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.960 -9.344 -2.037 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.352 -8.874 -0.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.560 -11.043 -0.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.872 -11.251 0.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.048 -11.604 -1.407 1.00 0.00 H new ATOM 713 N LEU A 44 -7.198 -4.240 1.689 1.00 0.00 N ATOM 714 CA LEU A 44 -6.695 -3.250 2.674 1.00 0.00 C ATOM 715 C LEU A 44 -5.894 -4.014 3.719 1.00 0.00 C ATOM 716 O LEU A 44 -4.820 -3.612 4.120 1.00 0.00 O ATOM 717 CB LEU A 44 -7.885 -2.549 3.335 1.00 0.00 C ATOM 718 CG LEU A 44 -7.391 -1.554 4.391 1.00 0.00 C ATOM 719 CD1 LEU A 44 -6.558 -0.445 3.723 1.00 0.00 C ATOM 720 CD2 LEU A 44 -8.601 -0.938 5.103 1.00 0.00 C ATOM 0 H LEU A 44 -8.115 -4.633 1.900 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.071 -2.497 2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.475 -2.028 2.581 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.540 -3.287 3.798 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.764 -2.074 5.115 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.212 0.257 4.482 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.699 -0.888 3.220 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.173 0.083 2.994 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.258 -0.229 5.856 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.227 -0.421 4.376 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.180 -1.726 5.584 1.00 0.00 H new ATOM 732 N VAL A 45 -6.423 -5.130 4.144 1.00 0.00 N ATOM 733 CA VAL A 45 -5.733 -5.982 5.159 1.00 0.00 C ATOM 734 C VAL A 45 -5.296 -7.282 4.455 1.00 0.00 C ATOM 735 O VAL A 45 -5.601 -7.495 3.297 1.00 0.00 O ATOM 736 CB VAL A 45 -6.716 -6.315 6.317 1.00 0.00 C ATOM 737 CG1 VAL A 45 -5.977 -6.284 7.660 1.00 0.00 C ATOM 738 CG2 VAL A 45 -7.864 -5.294 6.347 1.00 0.00 C ATOM 0 H VAL A 45 -7.321 -5.495 3.825 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.870 -5.463 5.576 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.123 -7.312 6.150 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.674 -6.518 8.464 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.173 -7.020 7.650 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.557 -5.291 7.822 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.546 -5.537 7.162 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.458 -4.294 6.500 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.404 -5.325 5.401 1.00 0.00 H new ATOM 748 N ALA A 46 -4.588 -8.144 5.132 1.00 0.00 N ATOM 749 CA ALA A 46 -4.138 -9.416 4.486 1.00 0.00 C ATOM 750 C ALA A 46 -5.262 -10.464 4.472 1.00 0.00 C ATOM 751 O ALA A 46 -5.204 -11.426 3.733 1.00 0.00 O ATOM 752 CB ALA A 46 -2.927 -9.964 5.244 1.00 0.00 C ATOM 0 H ALA A 46 -4.300 -8.025 6.103 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.867 -9.202 3.452 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.595 -10.891 4.777 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.119 -9.233 5.215 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.204 -10.158 6.280 1.00 0.00 H new ATOM 758 N THR A 47 -6.273 -10.309 5.288 1.00 0.00 N ATOM 759 CA THR A 47 -7.379 -11.325 5.317 1.00 0.00 C ATOM 760 C THR A 47 -8.525 -10.915 4.384 1.00 0.00 C ATOM 761 O THR A 47 -9.567 -11.540 4.366 1.00 0.00 O ATOM 762 CB THR A 47 -7.911 -11.451 6.747 1.00 0.00 C ATOM 763 OG1 THR A 47 -8.490 -10.217 7.145 1.00 0.00 O ATOM 764 CG2 THR A 47 -6.763 -11.810 7.692 1.00 0.00 C ATOM 0 H THR A 47 -6.384 -9.528 5.934 1.00 0.00 H new ATOM 0 HA THR A 47 -6.981 -12.281 4.977 1.00 0.00 H new ATOM 0 HB THR A 47 -8.667 -12.236 6.786 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.833 -10.296 8.060 1.00 0.00 H new ATOM 0 HG21 THR A 47 -7.144 -11.899 8.709 1.00 0.00 H new ATOM 0 HG22 THR A 47 -6.322 -12.758 7.385 1.00 0.00 H new ATOM 0 HG23 THR A 47 -6.004 -11.028 7.656 1.00 0.00 H new ATOM 772 N ASP A 48 -8.352 -9.879 3.608 1.00 0.00 N ATOM 773 CA ASP A 48 -9.444 -9.452 2.684 1.00 0.00 C ATOM 774 C ASP A 48 -9.611 -10.492 1.569 1.00 0.00 C ATOM 775 O ASP A 48 -8.923 -11.492 1.534 1.00 0.00 O ATOM 776 CB ASP A 48 -9.094 -8.096 2.075 1.00 0.00 C ATOM 777 CG ASP A 48 -9.145 -7.020 3.160 1.00 0.00 C ATOM 778 OD1 ASP A 48 -9.840 -7.228 4.141 1.00 0.00 O ATOM 779 OD2 ASP A 48 -8.488 -6.006 2.992 1.00 0.00 O ATOM 0 H ASP A 48 -7.505 -9.311 3.573 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.378 -9.369 3.240 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.100 -8.131 1.630 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.793 -7.854 1.275 1.00 0.00 H new ATOM 784 N ARG A 49 -10.530 -10.269 0.660 1.00 0.00 N ATOM 785 CA ARG A 49 -10.754 -11.252 -0.450 1.00 0.00 C ATOM 786 C ARG A 49 -11.060 -10.487 -1.749 1.00 0.00 C ATOM 787 O ARG A 49 -12.041 -9.779 -1.845 1.00 0.00 O ATOM 788 CB ARG A 49 -11.942 -12.152 -0.071 1.00 0.00 C ATOM 789 CG ARG A 49 -11.897 -13.472 -0.854 1.00 0.00 C ATOM 790 CD ARG A 49 -12.209 -13.222 -2.331 1.00 0.00 C ATOM 791 NE ARG A 49 -12.573 -14.509 -2.989 1.00 0.00 N ATOM 792 CZ ARG A 49 -13.177 -14.503 -4.148 1.00 0.00 C ATOM 793 NH1 ARG A 49 -13.489 -13.368 -4.715 1.00 0.00 N ATOM 794 NH2 ARG A 49 -13.474 -15.630 -4.735 1.00 0.00 N ATOM 0 H ARG A 49 -11.136 -9.448 0.638 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.866 -11.865 -0.604 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.921 -12.358 0.999 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.878 -11.633 -0.278 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.912 -13.928 -0.755 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.618 -14.175 -0.437 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -13.028 -12.509 -2.425 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.344 -12.780 -2.826 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.351 -15.395 -2.535 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -13.261 -12.488 -4.253 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -13.960 -13.362 -5.620 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.235 -16.516 -4.289 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -13.945 -15.625 -5.640 1.00 0.00 H new ATOM 808 N VAL A 50 -10.214 -10.616 -2.745 1.00 0.00 N ATOM 809 CA VAL A 50 -10.442 -9.890 -4.029 1.00 0.00 C ATOM 810 C VAL A 50 -11.374 -10.692 -4.953 1.00 0.00 C ATOM 811 O VAL A 50 -11.346 -11.904 -4.945 1.00 0.00 O ATOM 812 CB VAL A 50 -9.106 -9.716 -4.751 1.00 0.00 C ATOM 813 CG1 VAL A 50 -8.126 -8.972 -3.865 1.00 0.00 C ATOM 814 CG2 VAL A 50 -8.515 -11.084 -5.105 1.00 0.00 C ATOM 0 H VAL A 50 -9.375 -11.195 -2.720 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.896 -8.926 -3.799 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.281 -9.146 -5.663 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.178 -8.854 -4.390 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.530 -7.990 -3.620 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.964 -9.537 -2.947 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.564 -10.947 -5.619 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.355 -11.659 -4.193 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.205 -11.621 -5.756 1.00 0.00 H new ATOM 824 N PRO A 51 -12.161 -10.044 -5.791 1.00 0.00 N ATOM 825 CA PRO A 51 -13.040 -10.776 -6.749 1.00 0.00 C ATOM 826 C PRO A 51 -12.242 -11.843 -7.513 1.00 0.00 C ATOM 827 O PRO A 51 -11.151 -11.588 -7.984 1.00 0.00 O ATOM 828 CB PRO A 51 -13.536 -9.682 -7.707 1.00 0.00 C ATOM 829 CG PRO A 51 -13.467 -8.411 -6.920 1.00 0.00 C ATOM 830 CD PRO A 51 -12.313 -8.578 -5.922 1.00 0.00 C ATOM 0 HA PRO A 51 -13.855 -11.303 -6.252 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.912 -9.627 -8.599 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -14.554 -9.883 -8.042 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -13.292 -7.558 -7.576 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -14.406 -8.226 -6.399 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -11.398 -8.113 -6.289 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.544 -8.114 -4.963 1.00 0.00 H new ATOM 838 N ALA A 52 -12.763 -13.032 -7.638 1.00 0.00 N ATOM 839 CA ALA A 52 -12.010 -14.095 -8.367 1.00 0.00 C ATOM 840 C ALA A 52 -11.505 -13.548 -9.704 1.00 0.00 C ATOM 841 O ALA A 52 -10.537 -14.035 -10.254 1.00 0.00 O ATOM 842 CB ALA A 52 -12.919 -15.306 -8.601 1.00 0.00 C ATOM 0 H ALA A 52 -13.672 -13.314 -7.270 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.155 -14.406 -7.767 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -12.365 -16.079 -9.133 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.258 -15.697 -7.642 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -13.782 -15.004 -9.195 1.00 0.00 H new ATOM 848 N GLY A 53 -12.134 -12.533 -10.223 1.00 0.00 N ATOM 849 CA GLY A 53 -11.659 -11.957 -11.510 1.00 0.00 C ATOM 850 C GLY A 53 -10.297 -11.314 -11.265 1.00 0.00 C ATOM 851 O GLY A 53 -9.482 -11.180 -12.159 1.00 0.00 O ATOM 0 H GLY A 53 -12.951 -12.079 -9.815 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.582 -12.734 -12.270 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.368 -11.217 -11.881 1.00 0.00 H new ATOM 855 N LYS A 54 -10.051 -10.920 -10.044 1.00 0.00 N ATOM 856 CA LYS A 54 -8.756 -10.284 -9.683 1.00 0.00 C ATOM 857 C LYS A 54 -7.904 -11.310 -8.935 1.00 0.00 C ATOM 858 O LYS A 54 -8.385 -12.000 -8.059 1.00 0.00 O ATOM 859 CB LYS A 54 -9.059 -9.085 -8.790 1.00 0.00 C ATOM 860 CG LYS A 54 -10.037 -8.153 -9.510 1.00 0.00 C ATOM 861 CD LYS A 54 -9.410 -7.644 -10.820 1.00 0.00 C ATOM 862 CE LYS A 54 -10.055 -6.316 -11.225 1.00 0.00 C ATOM 863 NZ LYS A 54 -9.759 -6.043 -12.657 1.00 0.00 N ATOM 0 H LYS A 54 -10.707 -11.015 -9.269 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.212 -9.952 -10.567 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.486 -9.420 -7.845 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.138 -8.552 -8.553 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.966 -8.682 -9.723 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.290 -7.310 -8.867 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.336 -7.512 -10.692 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.549 -8.382 -11.610 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.133 -6.358 -11.066 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.672 -5.508 -10.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.196 -5.141 -12.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.730 -5.986 -12.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.144 -6.810 -13.244 1.00 0.00 H new ATOM 877 N ARG A 55 -6.651 -11.438 -9.279 1.00 0.00 N ATOM 878 CA ARG A 55 -5.795 -12.444 -8.585 1.00 0.00 C ATOM 879 C ARG A 55 -5.340 -11.915 -7.228 1.00 0.00 C ATOM 880 O ARG A 55 -5.220 -10.726 -7.012 1.00 0.00 O ATOM 881 CB ARG A 55 -4.572 -12.780 -9.447 1.00 0.00 C ATOM 882 CG ARG A 55 -4.991 -13.713 -10.587 1.00 0.00 C ATOM 883 CD ARG A 55 -3.759 -14.145 -11.377 1.00 0.00 C ATOM 884 NE ARG A 55 -4.186 -14.992 -12.523 1.00 0.00 N ATOM 885 CZ ARG A 55 -3.354 -15.236 -13.496 1.00 0.00 C ATOM 886 NH1 ARG A 55 -2.134 -14.776 -13.439 1.00 0.00 N ATOM 887 NH2 ARG A 55 -3.737 -15.948 -14.521 1.00 0.00 N ATOM 0 H ARG A 55 -6.185 -10.894 -10.005 1.00 0.00 H new ATOM 0 HA ARG A 55 -6.384 -13.348 -8.430 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -4.137 -11.866 -9.852 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.804 -13.256 -8.837 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -5.502 -14.588 -10.185 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -5.697 -13.206 -11.244 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.218 -13.270 -11.737 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.076 -14.700 -10.734 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.129 -15.381 -12.547 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -1.833 -14.227 -12.634 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -1.481 -14.966 -14.199 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -4.688 -16.314 -14.561 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.085 -16.138 -15.282 1.00 0.00 H new ATOM 901 N ASP A 56 -5.084 -12.813 -6.315 1.00 0.00 N ATOM 902 CA ASP A 56 -4.631 -12.413 -4.955 1.00 0.00 C ATOM 903 C ASP A 56 -3.574 -11.313 -5.063 1.00 0.00 C ATOM 904 O ASP A 56 -2.893 -11.184 -6.061 1.00 0.00 O ATOM 905 CB ASP A 56 -4.030 -13.633 -4.252 1.00 0.00 C ATOM 906 CG ASP A 56 -3.783 -13.308 -2.779 1.00 0.00 C ATOM 907 OD1 ASP A 56 -4.754 -13.171 -2.053 1.00 0.00 O ATOM 908 OD2 ASP A 56 -2.628 -13.203 -2.404 1.00 0.00 O ATOM 0 H ASP A 56 -5.171 -13.819 -6.457 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.479 -12.036 -4.383 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.705 -14.484 -4.338 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.095 -13.918 -4.733 1.00 0.00 H new ATOM 913 N CYS A 57 -3.440 -10.515 -4.041 1.00 0.00 N ATOM 914 CA CYS A 57 -2.439 -9.414 -4.066 1.00 0.00 C ATOM 915 C CYS A 57 -1.957 -9.157 -2.643 1.00 0.00 C ATOM 916 O CYS A 57 -2.524 -9.640 -1.687 1.00 0.00 O ATOM 917 CB CYS A 57 -3.093 -8.148 -4.621 1.00 0.00 C ATOM 918 SG CYS A 57 -3.320 -8.318 -6.408 1.00 0.00 S ATOM 0 H CYS A 57 -3.986 -10.580 -3.182 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.595 -9.690 -4.698 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.055 -7.980 -4.136 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.471 -7.280 -4.404 1.00 0.00 H new ATOM 0 HG CYS A 57 -3.326 -9.578 -6.727 1.00 0.00 H new ATOM 924 N ILE A 58 -0.908 -8.407 -2.493 1.00 0.00 N ATOM 925 CA ILE A 58 -0.386 -8.118 -1.130 1.00 0.00 C ATOM 926 C ILE A 58 -1.119 -6.891 -0.570 1.00 0.00 C ATOM 927 O ILE A 58 -1.210 -5.864 -1.213 1.00 0.00 O ATOM 928 CB ILE A 58 1.117 -7.862 -1.229 1.00 0.00 C ATOM 929 CG1 ILE A 58 1.794 -9.105 -1.823 1.00 0.00 C ATOM 930 CG2 ILE A 58 1.686 -7.591 0.164 1.00 0.00 C ATOM 931 CD1 ILE A 58 3.222 -8.759 -2.245 1.00 0.00 C ATOM 0 H ILE A 58 -0.386 -7.979 -3.257 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.555 -8.960 -0.459 1.00 0.00 H new ATOM 0 HB ILE A 58 1.301 -6.997 -1.866 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.806 -9.911 -1.089 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.227 -9.465 -2.682 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.758 -7.409 0.090 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.198 -6.716 0.592 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.508 -8.455 0.804 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.701 -9.643 -2.666 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.198 -7.967 -2.994 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.786 -8.420 -1.376 1.00 0.00 H new ATOM 943 N SER A 59 -1.664 -6.998 0.614 1.00 0.00 N ATOM 944 CA SER A 59 -2.418 -5.850 1.210 1.00 0.00 C ATOM 945 C SER A 59 -1.517 -4.623 1.326 1.00 0.00 C ATOM 946 O SER A 59 -0.315 -4.700 1.173 1.00 0.00 O ATOM 947 CB SER A 59 -2.909 -6.239 2.598 1.00 0.00 C ATOM 948 OG SER A 59 -1.802 -6.321 3.485 1.00 0.00 O ATOM 0 H SER A 59 -1.620 -7.833 1.197 1.00 0.00 H new ATOM 0 HA SER A 59 -3.263 -5.611 0.564 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.626 -5.503 2.961 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.428 -7.197 2.557 1.00 0.00 H new ATOM 0 HG SER A 59 -2.117 -6.570 4.379 1.00 0.00 H new ATOM 954 N LEU A 60 -2.097 -3.483 1.594 1.00 0.00 N ATOM 955 CA LEU A 60 -1.284 -2.245 1.717 1.00 0.00 C ATOM 956 C LEU A 60 -0.393 -2.319 2.959 1.00 0.00 C ATOM 957 O LEU A 60 0.801 -2.109 2.880 1.00 0.00 O ATOM 958 CB LEU A 60 -2.219 -1.039 1.832 1.00 0.00 C ATOM 959 CG LEU A 60 -2.787 -0.688 0.448 1.00 0.00 C ATOM 960 CD1 LEU A 60 -3.938 0.320 0.606 1.00 0.00 C ATOM 961 CD2 LEU A 60 -1.679 -0.100 -0.461 1.00 0.00 C ATOM 0 H LEU A 60 -3.100 -3.359 1.733 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.652 -2.143 0.835 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.032 -1.262 2.523 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.678 -0.185 2.241 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.166 -1.596 -0.021 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.341 0.569 -0.376 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.724 -0.119 1.220 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.566 1.225 1.086 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.100 0.143 -1.437 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.276 0.804 -0.005 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.881 -0.832 -0.582 1.00 0.00 H new ATOM 973 N ARG A 61 -0.954 -2.611 4.106 1.00 0.00 N ATOM 974 CA ARG A 61 -0.115 -2.677 5.342 1.00 0.00 C ATOM 975 C ARG A 61 1.146 -3.502 5.053 1.00 0.00 C ATOM 976 O ARG A 61 2.247 -3.121 5.402 1.00 0.00 O ATOM 977 CB ARG A 61 -0.901 -3.335 6.500 1.00 0.00 C ATOM 978 CG ARG A 61 -2.418 -3.172 6.312 1.00 0.00 C ATOM 979 CD ARG A 61 -2.804 -1.701 6.014 1.00 0.00 C ATOM 980 NE ARG A 61 -3.986 -1.275 6.842 1.00 0.00 N ATOM 981 CZ ARG A 61 -5.012 -2.061 7.057 1.00 0.00 C ATOM 982 NH1 ARG A 61 -5.105 -3.215 6.464 1.00 0.00 N ATOM 983 NH2 ARG A 61 -5.971 -1.665 7.853 1.00 0.00 N ATOM 0 H ARG A 61 -1.946 -2.805 4.240 1.00 0.00 H new ATOM 0 HA ARG A 61 0.158 -1.663 5.636 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.651 -4.395 6.555 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.600 -2.887 7.447 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.754 -3.809 5.494 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.934 -3.509 7.211 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.956 -1.049 6.223 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.038 -1.590 4.955 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.989 -0.340 7.251 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.373 -3.519 5.822 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.910 -3.816 6.641 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.917 -0.750 8.301 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.773 -2.271 8.026 1.00 0.00 H new ATOM 997 N GLU A 62 0.984 -4.631 4.425 1.00 0.00 N ATOM 998 CA GLU A 62 2.159 -5.489 4.120 1.00 0.00 C ATOM 999 C GLU A 62 3.031 -4.830 3.036 1.00 0.00 C ATOM 1000 O GLU A 62 4.243 -4.867 3.107 1.00 0.00 O ATOM 1001 CB GLU A 62 1.670 -6.866 3.654 1.00 0.00 C ATOM 1002 CG GLU A 62 1.056 -7.623 4.836 1.00 0.00 C ATOM 1003 CD GLU A 62 2.149 -7.983 5.846 1.00 0.00 C ATOM 1004 OE1 GLU A 62 3.063 -8.699 5.470 1.00 0.00 O ATOM 1005 OE2 GLU A 62 2.051 -7.539 6.979 1.00 0.00 O ATOM 0 H GLU A 62 0.086 -4.997 4.109 1.00 0.00 H new ATOM 0 HA GLU A 62 2.766 -5.609 5.017 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.932 -6.751 2.860 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.500 -7.436 3.237 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.293 -7.010 5.315 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.562 -8.528 4.483 1.00 0.00 H new ATOM 1012 N LYS A 63 2.437 -4.221 2.037 1.00 0.00 N ATOM 1013 CA LYS A 63 3.263 -3.565 0.975 1.00 0.00 C ATOM 1014 C LYS A 63 4.029 -2.382 1.581 1.00 0.00 C ATOM 1015 O LYS A 63 5.212 -2.222 1.359 1.00 0.00 O ATOM 1016 CB LYS A 63 2.354 -3.053 -0.165 1.00 0.00 C ATOM 1017 CG LYS A 63 2.206 -4.108 -1.266 1.00 0.00 C ATOM 1018 CD LYS A 63 1.452 -3.494 -2.446 1.00 0.00 C ATOM 1019 CE LYS A 63 1.419 -4.483 -3.612 1.00 0.00 C ATOM 1020 NZ LYS A 63 0.894 -3.798 -4.825 1.00 0.00 N ATOM 0 H LYS A 63 1.427 -4.150 1.912 1.00 0.00 H new ATOM 0 HA LYS A 63 3.966 -4.294 0.572 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.372 -2.799 0.234 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.773 -2.139 -0.586 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.187 -4.457 -1.587 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.667 -4.976 -0.886 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.436 -3.238 -2.146 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.936 -2.568 -2.756 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.420 -4.870 -3.804 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.789 -5.337 -3.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.934 -4.448 -5.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.091 -3.509 -4.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.472 -2.958 -5.027 1.00 0.00 H new ATOM 1034 N ILE A 64 3.362 -1.546 2.331 1.00 0.00 N ATOM 1035 CA ILE A 64 4.054 -0.366 2.931 1.00 0.00 C ATOM 1036 C ILE A 64 5.381 -0.819 3.553 1.00 0.00 C ATOM 1037 O ILE A 64 6.437 -0.315 3.227 1.00 0.00 O ATOM 1038 CB ILE A 64 3.128 0.271 4.008 1.00 0.00 C ATOM 1039 CG1 ILE A 64 2.196 1.319 3.368 1.00 0.00 C ATOM 1040 CG2 ILE A 64 3.951 0.958 5.108 1.00 0.00 C ATOM 1041 CD1 ILE A 64 1.075 0.627 2.595 1.00 0.00 C ATOM 0 H ILE A 64 2.370 -1.628 2.554 1.00 0.00 H new ATOM 0 HA ILE A 64 4.267 0.379 2.164 1.00 0.00 H new ATOM 0 HB ILE A 64 2.538 -0.534 4.446 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.772 1.960 4.141 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.766 1.962 2.698 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.279 1.394 5.847 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.595 0.224 5.592 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.564 1.744 4.667 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.424 1.378 2.148 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.505 0.005 1.809 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.495 0.003 3.275 1.00 0.00 H new ATOM 1053 N ALA A 65 5.329 -1.752 4.451 1.00 0.00 N ATOM 1054 CA ALA A 65 6.575 -2.234 5.105 1.00 0.00 C ATOM 1055 C ALA A 65 7.540 -2.809 4.062 1.00 0.00 C ATOM 1056 O ALA A 65 8.744 -2.693 4.187 1.00 0.00 O ATOM 1057 CB ALA A 65 6.211 -3.324 6.110 1.00 0.00 C ATOM 0 H ALA A 65 4.472 -2.207 4.765 1.00 0.00 H new ATOM 0 HA ALA A 65 7.062 -1.399 5.609 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.116 -3.687 6.597 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.534 -2.916 6.860 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.723 -4.149 5.591 1.00 0.00 H new ATOM 1063 N GLU A 66 7.023 -3.459 3.060 1.00 0.00 N ATOM 1064 CA GLU A 66 7.905 -4.082 2.029 1.00 0.00 C ATOM 1065 C GLU A 66 8.459 -3.042 1.043 1.00 0.00 C ATOM 1066 O GLU A 66 9.580 -3.158 0.588 1.00 0.00 O ATOM 1067 CB GLU A 66 7.097 -5.136 1.276 1.00 0.00 C ATOM 1068 CG GLU A 66 6.744 -6.274 2.241 1.00 0.00 C ATOM 1069 CD GLU A 66 5.658 -7.159 1.626 1.00 0.00 C ATOM 1070 OE1 GLU A 66 5.270 -6.894 0.501 1.00 0.00 O ATOM 1071 OE2 GLU A 66 5.233 -8.087 2.293 1.00 0.00 O ATOM 0 H GLU A 66 6.023 -3.588 2.907 1.00 0.00 H new ATOM 0 HA GLU A 66 8.760 -4.537 2.529 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.189 -4.693 0.867 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.672 -5.521 0.434 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.632 -6.869 2.456 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.397 -5.864 3.190 1.00 0.00 H new ATOM 1078 N LEU A 67 7.698 -2.039 0.688 1.00 0.00 N ATOM 1079 CA LEU A 67 8.226 -1.032 -0.286 1.00 0.00 C ATOM 1080 C LEU A 67 9.365 -0.225 0.352 1.00 0.00 C ATOM 1081 O LEU A 67 10.357 0.063 -0.279 1.00 0.00 O ATOM 1082 CB LEU A 67 7.089 -0.087 -0.739 1.00 0.00 C ATOM 1083 CG LEU A 67 6.387 -0.617 -2.008 1.00 0.00 C ATOM 1084 CD1 LEU A 67 7.368 -0.652 -3.204 1.00 0.00 C ATOM 1085 CD2 LEU A 67 5.817 -2.020 -1.748 1.00 0.00 C ATOM 0 H LEU A 67 6.749 -1.873 1.023 1.00 0.00 H new ATOM 0 HA LEU A 67 8.616 -1.556 -1.159 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.360 0.019 0.064 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.495 0.906 -0.934 1.00 0.00 H new ATOM 0 HG LEU A 67 5.569 0.059 -2.257 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.852 -1.029 -4.087 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.737 0.354 -3.401 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.207 -1.306 -2.967 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.324 -2.385 -2.649 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.627 -2.697 -1.478 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.095 -1.974 -0.933 1.00 0.00 H new ATOM 1097 N GLN A 68 9.240 0.160 1.584 1.00 0.00 N ATOM 1098 CA GLN A 68 10.336 0.951 2.210 1.00 0.00 C ATOM 1099 C GLN A 68 11.502 0.020 2.586 1.00 0.00 C ATOM 1100 O GLN A 68 12.652 0.410 2.572 1.00 0.00 O ATOM 1101 CB GLN A 68 9.813 1.649 3.470 1.00 0.00 C ATOM 1102 CG GLN A 68 8.515 2.394 3.160 1.00 0.00 C ATOM 1103 CD GLN A 68 8.024 3.089 4.431 1.00 0.00 C ATOM 1104 OE1 GLN A 68 8.716 3.108 5.432 1.00 0.00 O ATOM 1105 NE2 GLN A 68 6.852 3.665 4.441 1.00 0.00 N ATOM 0 H GLN A 68 8.438 -0.034 2.183 1.00 0.00 H new ATOM 0 HA GLN A 68 10.687 1.699 1.499 1.00 0.00 H new ATOM 0 HB2 GLN A 68 9.640 0.914 4.256 1.00 0.00 H new ATOM 0 HB3 GLN A 68 10.561 2.347 3.845 1.00 0.00 H new ATOM 0 HG2 GLN A 68 8.681 3.127 2.370 1.00 0.00 H new ATOM 0 HG3 GLN A 68 7.759 1.698 2.795 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.270 3.651 3.604 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.519 4.129 5.286 1.00 0.00 H new