USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 472 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 48 MET CE :methyl -162:sc= -0.406 (180deg=-0.856) USER MOD Set 1.2: A 51 THR OG1 : rot 170:sc= -0.154 USER MOD Set 2.1: A 14 SER OG : rot -32:sc= 1.21 USER MOD Set 2.2: A 18 LYS NZ :NH3+ -146:sc= -0.443 (180deg=-0.593) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= -0.08 X(o=-0.08,f=-0.08) USER MOD Single : A 19 LYS NZ :NH3+ -112:sc= -0.135 (180deg=-1.08!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.0705 K(o=-0.071,f=-1.1!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.628 X(o=-0.63,f=-0.14) USER MOD Single : A 40 CYS SG : rot 15:sc= -0.685 USER MOD Single : A 41 LYS NZ :NH3+ 154:sc= -0.351 (180deg=-1.14!) USER MOD Single : A 42 CYS SG : rot -166:sc= -10.1! USER MOD Single : A 43 LYS NZ :NH3+ -155:sc= 0.414 (180deg=0.179) USER MOD Single : A 46 GLN : amide:sc= -0.123 K(o=-0.12,f=-1.4!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 28:sc= 0.269 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.502 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -5.42! K(o=-5.4!,f=-1.2) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 150:sc= 0.0467 (180deg=-0.0399) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N TYR A 8 -0.999 -4.055 -7.801 1.00 0.00 N ATOM 67 CA TYR A 8 -0.326 -4.090 -6.508 1.00 0.00 C ATOM 68 C TYR A 8 -1.233 -3.545 -5.408 1.00 0.00 C ATOM 69 O TYR A 8 -1.146 -3.964 -4.253 1.00 0.00 O ATOM 70 CB TYR A 8 0.971 -3.281 -6.562 1.00 0.00 C ATOM 71 CG TYR A 8 1.625 -3.277 -7.925 1.00 0.00 C ATOM 72 CD1 TYR A 8 1.211 -2.392 -8.913 1.00 0.00 C ATOM 73 CD2 TYR A 8 2.658 -4.157 -8.225 1.00 0.00 C ATOM 74 CE1 TYR A 8 1.805 -2.385 -10.161 1.00 0.00 C ATOM 75 CE2 TYR A 8 3.259 -4.156 -9.468 1.00 0.00 C ATOM 76 CZ TYR A 8 2.829 -3.268 -10.433 1.00 0.00 C ATOM 77 OH TYR A 8 3.424 -3.265 -11.674 1.00 0.00 O ATOM 0 HA TYR A 8 -0.089 -5.129 -6.278 1.00 0.00 H new ATOM 0 HB2 TYR A 8 0.761 -2.253 -6.266 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.673 -3.686 -5.833 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.411 -1.698 -8.702 1.00 0.00 H new ATOM 0 HD2 TYR A 8 2.997 -4.854 -7.473 1.00 0.00 H new ATOM 0 HE1 TYR A 8 1.469 -1.692 -10.919 1.00 0.00 H new ATOM 0 HE2 TYR A 8 4.061 -4.846 -9.684 1.00 0.00 H new ATOM 0 HH TYR A 8 4.128 -3.946 -11.701 1.00 0.00 H new ATOM 87 N ILE A 9 -2.102 -2.610 -5.776 1.00 0.00 N ATOM 88 CA ILE A 9 -3.026 -2.009 -4.822 1.00 0.00 C ATOM 89 C ILE A 9 -3.461 -3.020 -3.766 1.00 0.00 C ATOM 90 O ILE A 9 -3.560 -2.695 -2.584 1.00 0.00 O ATOM 91 CB ILE A 9 -4.276 -1.448 -5.526 1.00 0.00 C ATOM 92 CG1 ILE A 9 -3.871 -0.613 -6.742 1.00 0.00 C ATOM 93 CG2 ILE A 9 -5.101 -0.617 -4.555 1.00 0.00 C ATOM 94 CD1 ILE A 9 -2.815 0.427 -6.436 1.00 0.00 C ATOM 0 H ILE A 9 -2.186 -2.252 -6.728 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.493 -1.190 -4.339 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.888 -2.282 -5.870 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.500 -1.278 -7.522 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.755 -0.115 -7.142 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.981 -0.227 -5.066 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.414 -1.241 -3.718 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.499 0.213 -4.184 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.576 0.981 -7.344 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.191 1.115 -5.679 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.916 -0.065 -6.065 1.00 0.00 H new ATOM 106 N GLY A 10 -3.718 -4.250 -4.203 1.00 0.00 N ATOM 107 CA GLY A 10 -4.138 -5.291 -3.283 1.00 0.00 C ATOM 108 C GLY A 10 -2.974 -6.111 -2.765 1.00 0.00 C ATOM 109 O GLY A 10 -3.011 -6.616 -1.642 1.00 0.00 O ATOM 0 H GLY A 10 -3.643 -4.543 -5.177 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.662 -4.838 -2.442 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.848 -5.949 -3.784 1.00 0.00 H new ATOM 113 N LEU A 11 -1.937 -6.246 -3.584 1.00 0.00 N ATOM 114 CA LEU A 11 -0.755 -7.012 -3.202 1.00 0.00 C ATOM 115 C LEU A 11 -0.404 -6.779 -1.737 1.00 0.00 C ATOM 116 O LEU A 11 -0.348 -7.719 -0.943 1.00 0.00 O ATOM 117 CB LEU A 11 0.432 -6.633 -4.090 1.00 0.00 C ATOM 118 CG LEU A 11 0.526 -7.359 -5.432 1.00 0.00 C ATOM 119 CD1 LEU A 11 1.757 -6.904 -6.199 1.00 0.00 C ATOM 120 CD2 LEU A 11 0.551 -8.866 -5.223 1.00 0.00 C ATOM 0 H LEU A 11 -1.890 -5.835 -4.517 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.979 -8.070 -3.338 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.388 -5.561 -4.282 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.350 -6.820 -3.534 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.356 -7.110 -6.021 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.808 -7.431 -7.152 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.696 -5.831 -6.381 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.651 -7.123 -5.615 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.618 -9.366 -6.189 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.415 -9.135 -4.614 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.362 -9.178 -4.715 1.00 0.00 H new ATOM 132 N VAL A 12 -0.171 -5.519 -1.383 1.00 0.00 N ATOM 133 CA VAL A 12 0.172 -5.161 -0.011 1.00 0.00 C ATOM 134 C VAL A 12 -0.832 -5.747 0.976 1.00 0.00 C ATOM 135 O VAL A 12 -0.476 -6.559 1.829 1.00 0.00 O ATOM 136 CB VAL A 12 0.225 -3.633 0.173 1.00 0.00 C ATOM 137 CG1 VAL A 12 0.213 -3.273 1.651 1.00 0.00 C ATOM 138 CG2 VAL A 12 1.452 -3.056 -0.515 1.00 0.00 C ATOM 0 H VAL A 12 -0.213 -4.729 -2.027 1.00 0.00 H new ATOM 0 HA VAL A 12 1.159 -5.578 0.189 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.661 -3.197 -0.290 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.251 -2.189 1.762 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.699 -3.653 2.111 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.079 -3.718 2.141 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.473 -1.975 -0.375 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.351 -3.496 -0.084 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.412 -3.283 -1.580 1.00 0.00 H new ATOM 148 N ASN A 13 -2.087 -5.329 0.854 1.00 0.00 N ATOM 149 CA ASN A 13 -3.143 -5.812 1.736 1.00 0.00 C ATOM 150 C ASN A 13 -2.928 -7.281 2.089 1.00 0.00 C ATOM 151 O ASN A 13 -2.928 -7.655 3.261 1.00 0.00 O ATOM 152 CB ASN A 13 -4.511 -5.630 1.075 1.00 0.00 C ATOM 153 CG ASN A 13 -5.120 -4.273 1.372 1.00 0.00 C ATOM 154 OD1 ASN A 13 -5.626 -4.033 2.468 1.00 0.00 O ATOM 155 ND2 ASN A 13 -5.075 -3.378 0.392 1.00 0.00 N ATOM 0 H ASN A 13 -2.398 -4.657 0.153 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.110 -5.227 2.655 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.410 -5.752 -0.003 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -5.186 -6.412 1.422 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -5.470 -2.448 0.532 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.646 -3.621 -0.501 1.00 0.00 H new ATOM 162 N SER A 14 -2.743 -8.108 1.065 1.00 0.00 N ATOM 163 CA SER A 14 -2.529 -9.537 1.266 1.00 0.00 C ATOM 164 C SER A 14 -1.116 -9.809 1.773 1.00 0.00 C ATOM 165 O SER A 14 -0.882 -10.767 2.509 1.00 0.00 O ATOM 166 CB SER A 14 -2.771 -10.299 -0.039 1.00 0.00 C ATOM 167 OG SER A 14 -1.730 -10.058 -0.970 1.00 0.00 O ATOM 0 H SER A 14 -2.737 -7.814 0.088 1.00 0.00 H new ATOM 0 HA SER A 14 -3.238 -9.883 2.018 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.839 -11.367 0.167 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.726 -9.996 -0.469 1.00 0.00 H new ATOM 0 HG SER A 14 -1.381 -9.151 -0.843 1.00 0.00 H new ATOM 173 N PHE A 15 -0.177 -8.958 1.373 1.00 0.00 N ATOM 174 CA PHE A 15 1.214 -9.105 1.786 1.00 0.00 C ATOM 175 C PHE A 15 1.346 -8.999 3.302 1.00 0.00 C ATOM 176 O PHE A 15 1.897 -9.888 3.951 1.00 0.00 O ATOM 177 CB PHE A 15 2.083 -8.042 1.111 1.00 0.00 C ATOM 178 CG PHE A 15 3.523 -8.445 0.973 1.00 0.00 C ATOM 179 CD1 PHE A 15 4.417 -8.238 2.011 1.00 0.00 C ATOM 180 CD2 PHE A 15 3.983 -9.032 -0.195 1.00 0.00 C ATOM 181 CE1 PHE A 15 5.743 -8.607 1.886 1.00 0.00 C ATOM 182 CE2 PHE A 15 5.308 -9.403 -0.326 1.00 0.00 C ATOM 183 CZ PHE A 15 6.189 -9.192 0.717 1.00 0.00 C ATOM 0 H PHE A 15 -0.354 -8.160 0.763 1.00 0.00 H new ATOM 0 HA PHE A 15 1.556 -10.093 1.478 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.678 -7.827 0.122 1.00 0.00 H new ATOM 0 HB3 PHE A 15 2.026 -7.118 1.687 1.00 0.00 H new ATOM 0 HD1 PHE A 15 4.074 -7.783 2.928 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.298 -9.202 -1.013 1.00 0.00 H new ATOM 0 HE1 PHE A 15 6.430 -8.438 2.702 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.654 -9.857 -1.243 1.00 0.00 H new ATOM 0 HZ PHE A 15 7.224 -9.484 0.619 1.00 0.00 H new ATOM 193 N ALA A 16 0.836 -7.906 3.860 1.00 0.00 N ATOM 194 CA ALA A 16 0.895 -7.684 5.299 1.00 0.00 C ATOM 195 C ALA A 16 0.383 -8.900 6.064 1.00 0.00 C ATOM 196 O ALA A 16 1.093 -9.464 6.895 1.00 0.00 O ATOM 197 CB ALA A 16 0.094 -6.446 5.675 1.00 0.00 C ATOM 0 H ALA A 16 0.377 -7.160 3.337 1.00 0.00 H new ATOM 0 HA ALA A 16 1.938 -7.527 5.575 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.147 -6.292 6.753 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.507 -5.576 5.164 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.946 -6.582 5.378 1.00 0.00 H new ATOM 203 N GLN A 17 -0.853 -9.297 5.777 1.00 0.00 N ATOM 204 CA GLN A 17 -1.459 -10.445 6.439 1.00 0.00 C ATOM 205 C GLN A 17 -0.523 -11.649 6.407 1.00 0.00 C ATOM 206 O GLN A 17 -0.298 -12.302 7.426 1.00 0.00 O ATOM 207 CB GLN A 17 -2.790 -10.801 5.774 1.00 0.00 C ATOM 208 CG GLN A 17 -3.788 -11.449 6.719 1.00 0.00 C ATOM 209 CD GLN A 17 -3.540 -12.933 6.903 1.00 0.00 C ATOM 210 OE1 GLN A 17 -3.667 -13.717 5.962 1.00 0.00 O ATOM 211 NE2 GLN A 17 -3.183 -13.328 8.120 1.00 0.00 N ATOM 0 H GLN A 17 -1.453 -8.840 5.091 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.641 -10.177 7.480 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.232 -9.896 5.357 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -2.601 -11.477 4.940 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.739 -10.954 7.689 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -4.797 -11.298 6.335 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.090 -12.644 8.871 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.002 -14.315 8.303 1.00 0.00 H new ATOM 220 N LYS A 18 0.021 -11.938 5.229 1.00 0.00 N ATOM 221 CA LYS A 18 0.933 -13.063 5.063 1.00 0.00 C ATOM 222 C LYS A 18 2.114 -12.952 6.022 1.00 0.00 C ATOM 223 O LYS A 18 2.518 -13.936 6.643 1.00 0.00 O ATOM 224 CB LYS A 18 1.439 -13.126 3.620 1.00 0.00 C ATOM 225 CG LYS A 18 0.410 -13.657 2.637 1.00 0.00 C ATOM 226 CD LYS A 18 0.978 -13.750 1.231 1.00 0.00 C ATOM 227 CE LYS A 18 -0.094 -14.128 0.221 1.00 0.00 C ATOM 228 NZ LYS A 18 -0.940 -12.961 -0.153 1.00 0.00 N ATOM 0 H LYS A 18 -0.154 -11.408 4.375 1.00 0.00 H new ATOM 0 HA LYS A 18 0.387 -13.978 5.291 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.746 -12.128 3.308 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.326 -13.759 3.582 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.072 -14.642 2.960 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.463 -13.005 2.635 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.421 -12.794 0.952 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.778 -14.490 1.209 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.377 -14.536 -0.673 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.724 -14.915 0.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.914 -13.281 -0.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.939 -12.268 0.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.559 -12.518 -1.013 1.00 0.00 H new ATOM 242 N LYS A 19 2.663 -11.748 6.141 1.00 0.00 N ATOM 243 CA LYS A 19 3.796 -11.507 7.027 1.00 0.00 C ATOM 244 C LYS A 19 3.322 -11.055 8.405 1.00 0.00 C ATOM 245 O LYS A 19 4.071 -10.429 9.155 1.00 0.00 O ATOM 246 CB LYS A 19 4.726 -10.452 6.424 1.00 0.00 C ATOM 247 CG LYS A 19 5.705 -11.014 5.407 1.00 0.00 C ATOM 248 CD LYS A 19 6.989 -10.203 5.362 1.00 0.00 C ATOM 249 CE LYS A 19 7.979 -10.783 4.364 1.00 0.00 C ATOM 250 NZ LYS A 19 7.493 -10.655 2.962 1.00 0.00 N ATOM 0 H LYS A 19 2.341 -10.923 5.635 1.00 0.00 H new ATOM 0 HA LYS A 19 4.343 -12.443 7.139 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.124 -9.679 5.947 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.285 -9.971 7.227 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.936 -12.049 5.657 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.242 -11.020 4.420 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.760 -9.172 5.092 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.441 -10.180 6.353 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.937 -10.273 4.464 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.152 -11.834 4.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.278 -11.599 2.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.633 -10.071 2.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.228 -10.206 2.379 1.00 0.00 H new ATOM 264 N LYS A 20 2.075 -11.376 8.732 1.00 0.00 N ATOM 265 CA LYS A 20 1.502 -11.006 10.020 1.00 0.00 C ATOM 266 C LYS A 20 1.939 -9.602 10.427 1.00 0.00 C ATOM 267 O LYS A 20 2.228 -9.345 11.596 1.00 0.00 O ATOM 268 CB LYS A 20 1.918 -12.012 11.095 1.00 0.00 C ATOM 269 CG LYS A 20 1.135 -13.313 11.047 1.00 0.00 C ATOM 270 CD LYS A 20 1.885 -14.442 11.734 1.00 0.00 C ATOM 271 CE LYS A 20 3.026 -14.960 10.871 1.00 0.00 C ATOM 272 NZ LYS A 20 3.654 -16.177 11.454 1.00 0.00 N ATOM 0 H LYS A 20 1.441 -11.892 8.122 1.00 0.00 H new ATOM 0 HA LYS A 20 0.416 -11.016 9.922 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.980 -12.232 10.983 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.789 -11.556 12.077 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.166 -13.174 11.527 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.940 -13.583 10.009 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.279 -14.091 12.688 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.195 -15.257 11.955 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.652 -15.187 9.873 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.780 -14.180 10.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.427 -16.499 10.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.034 -15.954 12.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.941 -16.930 11.537 1.00 0.00 H new ATOM 286 N LEU A 21 1.983 -8.697 9.456 1.00 0.00 N ATOM 287 CA LEU A 21 2.383 -7.318 9.713 1.00 0.00 C ATOM 288 C LEU A 21 1.164 -6.431 9.945 1.00 0.00 C ATOM 289 O LEU A 21 0.025 -6.877 9.808 1.00 0.00 O ATOM 290 CB LEU A 21 3.206 -6.778 8.541 1.00 0.00 C ATOM 291 CG LEU A 21 4.670 -7.214 8.492 1.00 0.00 C ATOM 292 CD1 LEU A 21 5.225 -7.063 7.084 1.00 0.00 C ATOM 293 CD2 LEU A 21 5.500 -6.411 9.483 1.00 0.00 C ATOM 0 H LEU A 21 1.747 -8.893 8.483 1.00 0.00 H new ATOM 0 HA LEU A 21 2.995 -7.305 10.615 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.725 -7.086 7.613 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.173 -5.689 8.571 1.00 0.00 H new ATOM 0 HG LEU A 21 4.725 -8.266 8.772 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.268 -7.378 7.068 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.648 -7.683 6.397 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.156 -6.020 6.776 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.539 -6.735 9.434 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.438 -5.351 9.235 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.117 -6.570 10.491 1.00 0.00 H new ATOM 305 N SER A 22 1.411 -5.173 10.294 1.00 0.00 N ATOM 306 CA SER A 22 0.334 -4.224 10.546 1.00 0.00 C ATOM 307 C SER A 22 0.360 -3.089 9.527 1.00 0.00 C ATOM 308 O SER A 22 1.324 -2.327 9.453 1.00 0.00 O ATOM 309 CB SER A 22 0.447 -3.655 11.962 1.00 0.00 C ATOM 310 OG SER A 22 -0.273 -4.449 12.889 1.00 0.00 O ATOM 0 H SER A 22 2.348 -4.787 10.409 1.00 0.00 H new ATOM 0 HA SER A 22 -0.613 -4.754 10.450 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.496 -3.608 12.256 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.065 -2.634 11.979 1.00 0.00 H new ATOM 0 HG SER A 22 -0.184 -4.066 13.787 1.00 0.00 H new ATOM 316 N VAL A 23 -0.707 -2.982 8.741 1.00 0.00 N ATOM 317 CA VAL A 23 -0.809 -1.940 7.727 1.00 0.00 C ATOM 318 C VAL A 23 -1.789 -0.853 8.152 1.00 0.00 C ATOM 319 O VAL A 23 -2.901 -1.142 8.590 1.00 0.00 O ATOM 320 CB VAL A 23 -1.258 -2.519 6.371 1.00 0.00 C ATOM 321 CG1 VAL A 23 -2.772 -2.645 6.320 1.00 0.00 C ATOM 322 CG2 VAL A 23 -0.747 -1.655 5.228 1.00 0.00 C ATOM 0 H VAL A 23 -1.513 -3.605 8.788 1.00 0.00 H new ATOM 0 HA VAL A 23 0.185 -1.506 7.618 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.831 -3.516 6.261 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.071 -3.055 5.355 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.109 -3.308 7.117 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.224 -1.662 6.451 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.073 -2.078 4.278 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.143 -0.645 5.330 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.342 -1.622 5.256 1.00 0.00 H new ATOM 332 N ASN A 24 -1.367 0.401 8.019 1.00 0.00 N ATOM 333 CA ASN A 24 -2.208 1.534 8.389 1.00 0.00 C ATOM 334 C ASN A 24 -2.253 2.567 7.268 1.00 0.00 C ATOM 335 O ASN A 24 -1.302 2.706 6.498 1.00 0.00 O ATOM 336 CB ASN A 24 -1.689 2.182 9.674 1.00 0.00 C ATOM 337 CG ASN A 24 -2.057 1.387 10.912 1.00 0.00 C ATOM 338 OD1 ASN A 24 -2.833 0.434 10.843 1.00 0.00 O ATOM 339 ND2 ASN A 24 -1.500 1.777 12.053 1.00 0.00 N ATOM 0 H ASN A 24 -0.448 0.658 7.658 1.00 0.00 H new ATOM 0 HA ASN A 24 -3.219 1.164 8.559 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.605 2.279 9.617 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.095 3.190 9.759 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.710 1.281 12.919 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.862 2.573 12.063 1.00 0.00 H new ATOM 346 N TYR A 25 -3.364 3.290 7.182 1.00 0.00 N ATOM 347 CA TYR A 25 -3.535 4.310 6.154 1.00 0.00 C ATOM 348 C TYR A 25 -3.914 5.651 6.775 1.00 0.00 C ATOM 349 O TYR A 25 -5.047 5.846 7.214 1.00 0.00 O ATOM 350 CB TYR A 25 -4.607 3.878 5.152 1.00 0.00 C ATOM 351 CG TYR A 25 -4.169 2.751 4.245 1.00 0.00 C ATOM 352 CD1 TYR A 25 -3.367 2.995 3.137 1.00 0.00 C ATOM 353 CD2 TYR A 25 -4.556 1.440 4.497 1.00 0.00 C ATOM 354 CE1 TYR A 25 -2.965 1.968 2.305 1.00 0.00 C ATOM 355 CE2 TYR A 25 -4.158 0.406 3.671 1.00 0.00 C ATOM 356 CZ TYR A 25 -3.363 0.675 2.577 1.00 0.00 C ATOM 357 OH TYR A 25 -2.964 -0.351 1.752 1.00 0.00 O ATOM 0 H TYR A 25 -4.160 3.189 7.812 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.585 4.427 5.632 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.499 3.569 5.697 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.889 4.736 4.541 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -3.052 4.006 2.922 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -5.179 1.226 5.353 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -2.343 2.176 1.447 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.468 -0.607 3.881 1.00 0.00 H new ATOM 0 HH TYR A 25 -3.329 -1.198 2.084 1.00 0.00 H new ATOM 367 N GLU A 26 -2.956 6.573 6.806 1.00 0.00 N ATOM 368 CA GLU A 26 -3.189 7.896 7.373 1.00 0.00 C ATOM 369 C GLU A 26 -3.723 8.855 6.314 1.00 0.00 C ATOM 370 O GLU A 26 -3.237 8.880 5.183 1.00 0.00 O ATOM 371 CB GLU A 26 -1.897 8.451 7.975 1.00 0.00 C ATOM 372 CG GLU A 26 -2.128 9.438 9.107 1.00 0.00 C ATOM 373 CD GLU A 26 -2.446 8.754 10.422 1.00 0.00 C ATOM 374 OE1 GLU A 26 -1.584 8.001 10.922 1.00 0.00 O ATOM 375 OE2 GLU A 26 -3.556 8.971 10.952 1.00 0.00 O ATOM 0 H GLU A 26 -2.013 6.428 6.446 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.936 7.800 8.161 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.293 7.622 8.344 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.321 8.940 7.190 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.240 10.058 9.230 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.948 10.105 8.841 1.00 0.00 H new ATOM 382 N GLN A 27 -4.726 9.643 6.689 1.00 0.00 N ATOM 383 CA GLN A 27 -5.326 10.603 5.770 1.00 0.00 C ATOM 384 C GLN A 27 -5.078 12.033 6.239 1.00 0.00 C ATOM 385 O GLN A 27 -5.604 12.460 7.268 1.00 0.00 O ATOM 386 CB GLN A 27 -6.829 10.349 5.645 1.00 0.00 C ATOM 387 CG GLN A 27 -7.548 11.367 4.773 1.00 0.00 C ATOM 388 CD GLN A 27 -8.989 11.580 5.193 1.00 0.00 C ATOM 389 OE1 GLN A 27 -9.263 12.068 6.290 1.00 0.00 O ATOM 390 NE2 GLN A 27 -9.920 11.215 4.319 1.00 0.00 N ATOM 0 H GLN A 27 -5.140 9.635 7.621 1.00 0.00 H new ATOM 0 HA GLN A 27 -4.860 10.474 4.793 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.988 9.353 5.232 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -7.274 10.356 6.640 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.016 12.318 4.817 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.521 11.034 3.735 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.648 10.815 3.421 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -10.907 11.335 4.546 1.00 0.00 H new ATOM 553 N PHE A 38 -7.324 14.547 -2.001 1.00 0.00 N ATOM 554 CA PHE A 38 -7.185 13.614 -0.889 1.00 0.00 C ATOM 555 C PHE A 38 -5.811 12.951 -0.904 1.00 0.00 C ATOM 556 O PHE A 38 -5.216 12.755 -1.964 1.00 0.00 O ATOM 557 CB PHE A 38 -8.280 12.547 -0.951 1.00 0.00 C ATOM 558 CG PHE A 38 -9.576 12.981 -0.330 1.00 0.00 C ATOM 559 CD1 PHE A 38 -10.484 13.743 -1.049 1.00 0.00 C ATOM 560 CD2 PHE A 38 -9.888 12.629 0.974 1.00 0.00 C ATOM 561 CE1 PHE A 38 -11.678 14.144 -0.480 1.00 0.00 C ATOM 562 CE2 PHE A 38 -11.081 13.026 1.547 1.00 0.00 C ATOM 563 CZ PHE A 38 -11.976 13.786 0.820 1.00 0.00 C ATOM 0 HA PHE A 38 -7.287 14.176 0.039 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.457 12.280 -1.993 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -7.928 11.647 -0.447 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -10.256 14.027 -2.066 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -9.191 12.038 1.549 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -12.377 14.737 -1.051 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -11.313 12.742 2.563 1.00 0.00 H new ATOM 0 HZ PHE A 38 -12.907 14.100 1.267 1.00 0.00 H new ATOM 573 N ILE A 39 -5.313 12.608 0.279 1.00 0.00 N ATOM 574 CA ILE A 39 -4.010 11.967 0.403 1.00 0.00 C ATOM 575 C ILE A 39 -4.046 10.843 1.432 1.00 0.00 C ATOM 576 O ILE A 39 -4.614 10.996 2.514 1.00 0.00 O ATOM 577 CB ILE A 39 -2.920 12.979 0.803 1.00 0.00 C ATOM 578 CG1 ILE A 39 -2.968 14.202 -0.115 1.00 0.00 C ATOM 579 CG2 ILE A 39 -1.547 12.326 0.753 1.00 0.00 C ATOM 580 CD1 ILE A 39 -2.453 15.467 0.535 1.00 0.00 C ATOM 0 H ILE A 39 -5.793 12.763 1.166 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.768 11.553 -0.576 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.107 13.308 1.825 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.380 13.998 -1.010 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.996 14.363 -0.439 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.787 13.054 1.038 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.520 11.483 1.444 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.349 11.972 -0.259 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.517 16.292 -0.174 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.056 15.696 1.414 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.415 15.325 0.834 1.00 0.00 H new ATOM 592 N CYS A 40 -3.435 9.715 1.089 1.00 0.00 N ATOM 593 CA CYS A 40 -3.395 8.563 1.984 1.00 0.00 C ATOM 594 C CYS A 40 -1.995 7.961 2.035 1.00 0.00 C ATOM 595 O CYS A 40 -1.469 7.498 1.022 1.00 0.00 O ATOM 596 CB CYS A 40 -4.403 7.505 1.532 1.00 0.00 C ATOM 597 SG CYS A 40 -6.115 7.878 1.977 1.00 0.00 S ATOM 0 H CYS A 40 -2.960 9.573 0.198 1.00 0.00 H new ATOM 0 HA CYS A 40 -3.660 8.903 2.985 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.336 7.394 0.450 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.126 6.545 1.968 1.00 0.00 H new ATOM 0 HG CYS A 40 -6.209 9.125 2.334 1.00 0.00 H new ATOM 603 N LYS A 41 -1.394 7.973 3.220 1.00 0.00 N ATOM 604 CA LYS A 41 -0.054 7.429 3.404 1.00 0.00 C ATOM 605 C LYS A 41 -0.112 6.043 4.039 1.00 0.00 C ATOM 606 O LYS A 41 -0.701 5.863 5.106 1.00 0.00 O ATOM 607 CB LYS A 41 0.784 8.367 4.276 1.00 0.00 C ATOM 608 CG LYS A 41 0.745 9.816 3.822 1.00 0.00 C ATOM 609 CD LYS A 41 2.031 10.544 4.172 1.00 0.00 C ATOM 610 CE LYS A 41 1.862 12.053 4.072 1.00 0.00 C ATOM 611 NZ LYS A 41 0.556 12.503 4.628 1.00 0.00 N ATOM 0 H LYS A 41 -1.814 8.354 4.068 1.00 0.00 H new ATOM 0 HA LYS A 41 0.413 7.341 2.423 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.428 8.308 5.305 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.818 8.023 4.276 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.584 9.857 2.745 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.100 10.322 4.289 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.338 10.277 5.183 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.827 10.221 3.502 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.674 12.546 4.607 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.937 12.358 3.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.637 13.488 4.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.176 12.439 3.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.293 11.897 5.431 1.00 0.00 H new ATOM 625 N CYS A 42 0.503 5.069 3.379 1.00 0.00 N ATOM 626 CA CYS A 42 0.522 3.699 3.881 1.00 0.00 C ATOM 627 C CYS A 42 1.728 3.468 4.786 1.00 0.00 C ATOM 628 O CYS A 42 2.874 3.563 4.347 1.00 0.00 O ATOM 629 CB CYS A 42 0.546 2.708 2.716 1.00 0.00 C ATOM 630 SG CYS A 42 1.769 3.095 1.442 1.00 0.00 S ATOM 0 H CYS A 42 0.995 5.201 2.495 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.384 3.540 4.466 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.747 1.710 3.106 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.443 2.678 2.258 1.00 0.00 H new ATOM 0 HG CYS A 42 1.518 2.398 0.374 1.00 0.00 H new ATOM 636 N LYS A 43 1.461 3.164 6.051 1.00 0.00 N ATOM 637 CA LYS A 43 2.523 2.920 7.020 1.00 0.00 C ATOM 638 C LYS A 43 2.448 1.496 7.562 1.00 0.00 C ATOM 639 O LYS A 43 1.404 1.062 8.049 1.00 0.00 O ATOM 640 CB LYS A 43 2.430 3.921 8.174 1.00 0.00 C ATOM 641 CG LYS A 43 3.220 5.197 7.937 1.00 0.00 C ATOM 642 CD LYS A 43 3.021 6.193 9.066 1.00 0.00 C ATOM 643 CE LYS A 43 1.622 6.789 9.045 1.00 0.00 C ATOM 644 NZ LYS A 43 1.400 7.725 10.181 1.00 0.00 N ATOM 0 H LYS A 43 0.518 3.081 6.430 1.00 0.00 H new ATOM 0 HA LYS A 43 3.479 3.048 6.513 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.383 4.177 8.339 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.789 3.445 9.087 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.279 4.958 7.844 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.911 5.648 6.994 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.193 5.699 10.022 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.759 6.991 8.982 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.466 7.317 8.104 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.885 5.987 9.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.383 7.779 10.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.910 7.380 11.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.752 8.670 9.926 1.00 0.00 H new ATOM 658 N ILE A 44 3.561 0.775 7.474 1.00 0.00 N ATOM 659 CA ILE A 44 3.621 -0.599 7.958 1.00 0.00 C ATOM 660 C ILE A 44 4.352 -0.680 9.294 1.00 0.00 C ATOM 661 O ILE A 44 5.580 -0.624 9.346 1.00 0.00 O ATOM 662 CB ILE A 44 4.322 -1.523 6.945 1.00 0.00 C ATOM 663 CG1 ILE A 44 3.908 -1.159 5.518 1.00 0.00 C ATOM 664 CG2 ILE A 44 3.996 -2.979 7.242 1.00 0.00 C ATOM 665 CD1 ILE A 44 2.535 -1.669 5.138 1.00 0.00 C ATOM 0 H ILE A 44 4.433 1.119 7.072 1.00 0.00 H new ATOM 0 HA ILE A 44 2.592 -0.932 8.089 1.00 0.00 H new ATOM 0 HB ILE A 44 5.400 -1.387 7.036 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.927 -0.075 5.408 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.642 -1.563 4.821 1.00 0.00 H new ATOM 0 HG21 ILE A 44 4.499 -3.620 6.517 1.00 0.00 H new ATOM 0 HG22 ILE A 44 4.336 -3.230 8.246 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.919 -3.132 7.175 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.308 -1.374 4.114 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.516 -2.756 5.215 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.790 -1.245 5.811 1.00 0.00 H new ATOM 677 N GLY A 45 3.587 -0.813 10.374 1.00 0.00 N ATOM 678 CA GLY A 45 4.179 -0.902 11.696 1.00 0.00 C ATOM 679 C GLY A 45 4.875 0.381 12.106 1.00 0.00 C ATOM 680 O GLY A 45 6.040 0.362 12.504 1.00 0.00 O ATOM 0 H GLY A 45 2.568 -0.861 10.357 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.403 -1.139 12.423 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.896 -1.723 11.716 1.00 0.00 H new ATOM 684 N GLN A 46 4.161 1.497 12.007 1.00 0.00 N ATOM 685 CA GLN A 46 4.719 2.795 12.369 1.00 0.00 C ATOM 686 C GLN A 46 5.904 3.147 11.475 1.00 0.00 C ATOM 687 O GLN A 46 6.781 3.918 11.863 1.00 0.00 O ATOM 688 CB GLN A 46 5.155 2.795 13.836 1.00 0.00 C ATOM 689 CG GLN A 46 3.997 2.692 14.814 1.00 0.00 C ATOM 690 CD GLN A 46 4.427 2.186 16.177 1.00 0.00 C ATOM 691 OE1 GLN A 46 5.389 1.426 16.295 1.00 0.00 O ATOM 692 NE2 GLN A 46 3.715 2.606 17.217 1.00 0.00 N ATOM 0 H GLN A 46 3.196 1.529 11.679 1.00 0.00 H new ATOM 0 HA GLN A 46 3.944 3.548 12.227 1.00 0.00 H new ATOM 0 HB2 GLN A 46 5.837 1.961 14.004 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.713 3.709 14.041 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.532 3.671 14.925 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.239 2.024 14.405 1.00 0.00 H new ATOM 0 HE21 GLN A 46 2.925 3.236 17.074 1.00 0.00 H new ATOM 0 HE22 GLN A 46 3.958 2.299 18.159 1.00 0.00 H new ATOM 701 N THR A 47 5.922 2.576 10.274 1.00 0.00 N ATOM 702 CA THR A 47 6.999 2.828 9.325 1.00 0.00 C ATOM 703 C THR A 47 6.453 3.339 7.997 1.00 0.00 C ATOM 704 O THR A 47 5.539 2.748 7.422 1.00 0.00 O ATOM 705 CB THR A 47 7.832 1.558 9.070 1.00 0.00 C ATOM 706 OG1 THR A 47 8.475 1.143 10.280 1.00 0.00 O ATOM 707 CG2 THR A 47 8.877 1.804 7.992 1.00 0.00 C ATOM 0 H THR A 47 5.203 1.936 9.936 1.00 0.00 H new ATOM 0 HA THR A 47 7.639 3.590 9.769 1.00 0.00 H new ATOM 0 HB THR A 47 7.160 0.771 8.729 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.001 0.334 10.110 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.453 0.893 7.829 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.382 2.091 7.064 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.546 2.604 8.309 1.00 0.00 H new ATOM 715 N MET A 48 7.018 4.441 7.514 1.00 0.00 N ATOM 716 CA MET A 48 6.588 5.030 6.251 1.00 0.00 C ATOM 717 C MET A 48 7.085 4.204 5.069 1.00 0.00 C ATOM 718 O MET A 48 8.290 4.089 4.843 1.00 0.00 O ATOM 719 CB MET A 48 7.098 6.467 6.134 1.00 0.00 C ATOM 720 CG MET A 48 6.559 7.207 4.921 1.00 0.00 C ATOM 721 SD MET A 48 6.648 8.999 5.103 1.00 0.00 S ATOM 722 CE MET A 48 4.912 9.411 5.256 1.00 0.00 C ATOM 0 H MET A 48 7.774 4.944 7.978 1.00 0.00 H new ATOM 0 HA MET A 48 5.498 5.037 6.234 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.824 7.015 7.035 1.00 0.00 H new ATOM 0 HB3 MET A 48 8.187 6.455 6.087 1.00 0.00 H new ATOM 0 HG2 MET A 48 7.123 6.907 4.038 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.523 6.914 4.753 1.00 0.00 H new ATOM 0 HE1 MET A 48 4.771 10.473 5.056 1.00 0.00 H new ATOM 0 HE2 MET A 48 4.335 8.827 4.539 1.00 0.00 H new ATOM 0 HE3 MET A 48 4.572 9.184 6.266 1.00 0.00 H new ATOM 732 N TYR A 49 6.150 3.632 4.318 1.00 0.00 N ATOM 733 CA TYR A 49 6.494 2.814 3.161 1.00 0.00 C ATOM 734 C TYR A 49 6.098 3.513 1.864 1.00 0.00 C ATOM 735 O TYR A 49 6.946 3.822 1.028 1.00 0.00 O ATOM 736 CB TYR A 49 5.805 1.452 3.250 1.00 0.00 C ATOM 737 CG TYR A 49 6.619 0.408 3.981 1.00 0.00 C ATOM 738 CD1 TYR A 49 6.742 0.439 5.365 1.00 0.00 C ATOM 739 CD2 TYR A 49 7.266 -0.608 3.289 1.00 0.00 C ATOM 740 CE1 TYR A 49 7.485 -0.511 6.038 1.00 0.00 C ATOM 741 CE2 TYR A 49 8.010 -1.563 3.953 1.00 0.00 C ATOM 742 CZ TYR A 49 8.117 -1.511 5.328 1.00 0.00 C ATOM 743 OH TYR A 49 8.858 -2.460 5.993 1.00 0.00 O ATOM 0 H TYR A 49 5.148 3.720 4.490 1.00 0.00 H new ATOM 0 HA TYR A 49 7.574 2.667 3.159 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.846 1.572 3.754 1.00 0.00 H new ATOM 0 HB3 TYR A 49 5.593 1.095 2.242 1.00 0.00 H new ATOM 0 HD1 TYR A 49 6.248 1.220 5.924 1.00 0.00 H new ATOM 0 HD2 TYR A 49 7.186 -0.652 2.213 1.00 0.00 H new ATOM 0 HE1 TYR A 49 7.571 -0.471 7.114 1.00 0.00 H new ATOM 0 HE2 TYR A 49 8.506 -2.347 3.399 1.00 0.00 H new ATOM 0 HH TYR A 49 9.235 -3.092 5.346 1.00 0.00 H new ATOM 753 N GLY A 50 4.801 3.760 1.704 1.00 0.00 N ATOM 754 CA GLY A 50 4.313 4.421 0.507 1.00 0.00 C ATOM 755 C GLY A 50 3.375 5.569 0.821 1.00 0.00 C ATOM 756 O GLY A 50 2.820 5.647 1.918 1.00 0.00 O ATOM 0 H GLY A 50 4.080 3.514 2.382 1.00 0.00 H new ATOM 0 HA2 GLY A 50 5.160 4.795 -0.069 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.796 3.695 -0.120 1.00 0.00 H new ATOM 760 N THR A 51 3.197 6.467 -0.144 1.00 0.00 N ATOM 761 CA THR A 51 2.323 7.618 0.035 1.00 0.00 C ATOM 762 C THR A 51 1.562 7.936 -1.247 1.00 0.00 C ATOM 763 O THR A 51 2.155 8.323 -2.253 1.00 0.00 O ATOM 764 CB THR A 51 3.117 8.865 0.469 1.00 0.00 C ATOM 765 OG1 THR A 51 3.632 8.682 1.793 1.00 0.00 O ATOM 766 CG2 THR A 51 2.239 10.107 0.428 1.00 0.00 C ATOM 0 H THR A 51 3.648 6.418 -1.058 1.00 0.00 H new ATOM 0 HA THR A 51 1.614 7.356 0.820 1.00 0.00 H new ATOM 0 HB THR A 51 3.945 9.002 -0.227 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.265 9.401 2.000 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.821 10.975 0.738 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.873 10.260 -0.587 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.393 9.977 1.103 1.00 0.00 H new ATOM 774 N GLY A 52 0.243 7.769 -1.204 1.00 0.00 N ATOM 775 CA GLY A 52 -0.578 8.042 -2.369 1.00 0.00 C ATOM 776 C GLY A 52 -1.295 9.374 -2.273 1.00 0.00 C ATOM 777 O GLY A 52 -1.675 9.805 -1.184 1.00 0.00 O ATOM 0 H GLY A 52 -0.271 7.450 -0.383 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.048 8.033 -3.261 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.312 7.245 -2.487 1.00 0.00 H new ATOM 781 N SER A 53 -1.480 10.029 -3.415 1.00 0.00 N ATOM 782 CA SER A 53 -2.152 11.322 -3.454 1.00 0.00 C ATOM 783 C SER A 53 -2.989 11.461 -4.722 1.00 0.00 C ATOM 784 O SER A 53 -2.483 11.311 -5.833 1.00 0.00 O ATOM 785 CB SER A 53 -1.127 12.456 -3.380 1.00 0.00 C ATOM 786 OG SER A 53 -0.175 12.352 -4.424 1.00 0.00 O ATOM 0 H SER A 53 -1.174 9.685 -4.325 1.00 0.00 H new ATOM 0 HA SER A 53 -2.816 11.385 -2.592 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.638 13.417 -3.444 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.619 12.429 -2.416 1.00 0.00 H new ATOM 0 HG SER A 53 -0.579 11.893 -5.190 1.00 0.00 H new ATOM 792 N GLY A 54 -4.275 11.750 -4.546 1.00 0.00 N ATOM 793 CA GLY A 54 -5.163 11.904 -5.684 1.00 0.00 C ATOM 794 C GLY A 54 -6.324 12.834 -5.391 1.00 0.00 C ATOM 795 O GLY A 54 -6.392 13.435 -4.318 1.00 0.00 O ATOM 0 H GLY A 54 -4.718 11.880 -3.636 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.598 12.289 -6.533 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.549 10.927 -5.975 1.00 0.00 H new ATOM 799 N VAL A 55 -7.239 12.955 -6.347 1.00 0.00 N ATOM 800 CA VAL A 55 -8.402 13.820 -6.187 1.00 0.00 C ATOM 801 C VAL A 55 -9.392 13.230 -5.188 1.00 0.00 C ATOM 802 O VAL A 55 -10.207 13.947 -4.607 1.00 0.00 O ATOM 803 CB VAL A 55 -9.121 14.048 -7.530 1.00 0.00 C ATOM 804 CG1 VAL A 55 -8.190 14.725 -8.525 1.00 0.00 C ATOM 805 CG2 VAL A 55 -9.642 12.732 -8.086 1.00 0.00 C ATOM 0 H VAL A 55 -7.198 12.465 -7.241 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.036 14.776 -5.812 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.973 14.706 -7.359 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.715 14.878 -9.468 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.870 15.688 -8.127 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.317 14.094 -8.694 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.147 12.912 -9.035 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.808 12.048 -8.243 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -10.345 12.291 -7.379 1.00 0.00 H new ATOM 815 N THR A 56 -9.315 11.917 -4.992 1.00 0.00 N ATOM 816 CA THR A 56 -10.203 11.230 -4.064 1.00 0.00 C ATOM 817 C THR A 56 -9.430 10.259 -3.179 1.00 0.00 C ATOM 818 O THR A 56 -8.452 9.651 -3.614 1.00 0.00 O ATOM 819 CB THR A 56 -11.308 10.459 -4.810 1.00 0.00 C ATOM 820 OG1 THR A 56 -11.813 11.250 -5.892 1.00 0.00 O ATOM 821 CG2 THR A 56 -12.445 10.095 -3.868 1.00 0.00 C ATOM 0 H THR A 56 -8.646 11.309 -5.464 1.00 0.00 H new ATOM 0 HA THR A 56 -10.663 11.997 -3.441 1.00 0.00 H new ATOM 0 HB THR A 56 -10.875 9.539 -5.204 1.00 0.00 H new ATOM 0 HG1 THR A 56 -12.514 10.752 -6.362 1.00 0.00 H new ATOM 0 HG21 THR A 56 -13.213 9.551 -4.418 1.00 0.00 H new ATOM 0 HG22 THR A 56 -12.063 9.468 -3.062 1.00 0.00 H new ATOM 0 HG23 THR A 56 -12.875 11.004 -3.448 1.00 0.00 H new ATOM 829 N LYS A 57 -9.875 10.116 -1.935 1.00 0.00 N ATOM 830 CA LYS A 57 -9.227 9.216 -0.989 1.00 0.00 C ATOM 831 C LYS A 57 -8.891 7.882 -1.648 1.00 0.00 C ATOM 832 O LYS A 57 -7.723 7.511 -1.758 1.00 0.00 O ATOM 833 CB LYS A 57 -10.128 8.984 0.226 1.00 0.00 C ATOM 834 CG LYS A 57 -9.419 8.317 1.391 1.00 0.00 C ATOM 835 CD LYS A 57 -10.383 7.997 2.522 1.00 0.00 C ATOM 836 CE LYS A 57 -9.652 7.818 3.843 1.00 0.00 C ATOM 837 NZ LYS A 57 -10.376 6.890 4.756 1.00 0.00 N ATOM 0 H LYS A 57 -10.683 10.613 -1.559 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.298 9.683 -0.661 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.531 9.941 0.557 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.976 8.368 -0.073 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -8.940 7.399 1.049 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -8.629 8.971 1.760 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.115 8.799 2.616 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.935 7.088 2.284 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.650 7.433 3.654 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.535 8.787 4.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.846 6.794 5.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.323 7.269 4.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.465 5.958 4.304 1.00 0.00 H new ATOM 851 N GLN A 58 -9.923 7.168 -2.086 1.00 0.00 N ATOM 852 CA GLN A 58 -9.736 5.876 -2.736 1.00 0.00 C ATOM 853 C GLN A 58 -8.508 5.894 -3.641 1.00 0.00 C ATOM 854 O GLN A 58 -7.532 5.187 -3.392 1.00 0.00 O ATOM 855 CB GLN A 58 -10.977 5.505 -3.548 1.00 0.00 C ATOM 856 CG GLN A 58 -11.202 4.006 -3.667 1.00 0.00 C ATOM 857 CD GLN A 58 -12.663 3.648 -3.854 1.00 0.00 C ATOM 858 OE1 GLN A 58 -13.304 3.114 -2.948 1.00 0.00 O ATOM 859 NE2 GLN A 58 -13.198 3.940 -5.034 1.00 0.00 N ATOM 0 H GLN A 58 -10.896 7.462 -2.003 1.00 0.00 H new ATOM 0 HA GLN A 58 -9.582 5.127 -1.960 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -11.853 5.960 -3.085 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -10.887 5.931 -4.547 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -10.627 3.622 -4.510 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -10.823 3.513 -2.772 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -12.630 4.383 -5.756 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -14.177 3.722 -5.218 1.00 0.00 H new ATOM 868 N GLU A 59 -8.565 6.707 -4.691 1.00 0.00 N ATOM 869 CA GLU A 59 -7.458 6.815 -5.634 1.00 0.00 C ATOM 870 C GLU A 59 -6.126 6.926 -4.897 1.00 0.00 C ATOM 871 O GLU A 59 -5.126 6.341 -5.311 1.00 0.00 O ATOM 872 CB GLU A 59 -7.652 8.029 -6.545 1.00 0.00 C ATOM 873 CG GLU A 59 -6.597 8.148 -7.632 1.00 0.00 C ATOM 874 CD GLU A 59 -6.927 7.320 -8.859 1.00 0.00 C ATOM 875 OE1 GLU A 59 -7.689 6.340 -8.724 1.00 0.00 O ATOM 876 OE2 GLU A 59 -6.425 7.652 -9.952 1.00 0.00 O ATOM 0 H GLU A 59 -9.365 7.300 -4.910 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.443 5.911 -6.243 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.636 7.970 -7.010 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.640 8.934 -5.938 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.495 9.194 -7.921 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.633 7.832 -7.234 1.00 0.00 H new ATOM 883 N ALA A 60 -6.122 7.681 -3.804 1.00 0.00 N ATOM 884 CA ALA A 60 -4.914 7.868 -3.009 1.00 0.00 C ATOM 885 C ALA A 60 -4.521 6.577 -2.298 1.00 0.00 C ATOM 886 O ALA A 60 -3.546 5.923 -2.670 1.00 0.00 O ATOM 887 CB ALA A 60 -5.115 8.989 -2.000 1.00 0.00 C ATOM 0 H ALA A 60 -6.941 8.173 -3.448 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.103 8.143 -3.683 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.205 9.118 -1.413 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.342 9.916 -2.527 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.942 8.737 -1.336 1.00 0.00 H new ATOM 893 N LYS A 61 -5.284 6.216 -1.272 1.00 0.00 N ATOM 894 CA LYS A 61 -5.016 5.003 -0.508 1.00 0.00 C ATOM 895 C LYS A 61 -4.549 3.876 -1.423 1.00 0.00 C ATOM 896 O LYS A 61 -3.581 3.179 -1.119 1.00 0.00 O ATOM 897 CB LYS A 61 -6.269 4.569 0.255 1.00 0.00 C ATOM 898 CG LYS A 61 -5.974 3.695 1.462 1.00 0.00 C ATOM 899 CD LYS A 61 -7.206 3.513 2.333 1.00 0.00 C ATOM 900 CE LYS A 61 -8.228 2.603 1.670 1.00 0.00 C ATOM 901 NZ LYS A 61 -7.889 1.164 1.849 1.00 0.00 N ATOM 0 H LYS A 61 -6.094 6.746 -0.950 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.221 5.221 0.205 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.810 5.457 0.583 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.928 4.027 -0.423 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.616 2.721 1.128 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.174 4.144 2.051 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.914 3.093 3.295 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.658 4.484 2.533 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.215 2.798 2.090 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.283 2.833 0.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.610 0.577 1.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.959 0.971 1.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.861 0.937 2.864 1.00 0.00 H new ATOM 915 N GLN A 62 -5.242 3.704 -2.544 1.00 0.00 N ATOM 916 CA GLN A 62 -4.896 2.661 -3.503 1.00 0.00 C ATOM 917 C GLN A 62 -3.425 2.748 -3.895 1.00 0.00 C ATOM 918 O GLN A 62 -2.627 1.875 -3.549 1.00 0.00 O ATOM 919 CB GLN A 62 -5.776 2.774 -4.749 1.00 0.00 C ATOM 920 CG GLN A 62 -7.132 2.103 -4.600 1.00 0.00 C ATOM 921 CD GLN A 62 -7.767 1.768 -5.935 1.00 0.00 C ATOM 922 OE1 GLN A 62 -8.642 2.487 -6.417 1.00 0.00 O ATOM 923 NE2 GLN A 62 -7.329 0.670 -6.540 1.00 0.00 N ATOM 0 H GLN A 62 -6.046 4.273 -2.811 1.00 0.00 H new ATOM 0 HA GLN A 62 -5.070 1.695 -3.030 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.925 3.828 -4.984 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.252 2.330 -5.595 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -7.019 1.189 -4.016 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.798 2.759 -4.040 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.602 0.103 -6.104 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.720 0.394 -7.441 1.00 0.00 H new ATOM 932 N LEU A 63 -3.072 3.805 -4.618 1.00 0.00 N ATOM 933 CA LEU A 63 -1.695 4.005 -5.058 1.00 0.00 C ATOM 934 C LEU A 63 -0.717 3.757 -3.914 1.00 0.00 C ATOM 935 O LEU A 63 0.270 3.040 -4.073 1.00 0.00 O ATOM 936 CB LEU A 63 -1.514 5.424 -5.600 1.00 0.00 C ATOM 937 CG LEU A 63 -2.431 5.822 -6.758 1.00 0.00 C ATOM 938 CD1 LEU A 63 -2.711 7.316 -6.727 1.00 0.00 C ATOM 939 CD2 LEU A 63 -1.813 5.421 -8.089 1.00 0.00 C ATOM 0 H LEU A 63 -3.719 4.536 -4.912 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.485 3.289 -5.853 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.670 6.127 -4.781 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.480 5.538 -5.926 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.378 5.293 -6.646 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.365 7.581 -7.558 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.196 7.576 -5.786 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.773 7.864 -6.815 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.479 5.712 -8.902 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.853 5.922 -8.210 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.664 4.341 -8.111 1.00 0.00 H new ATOM 951 N ALA A 64 -0.999 4.355 -2.761 1.00 0.00 N ATOM 952 CA ALA A 64 -0.146 4.195 -1.589 1.00 0.00 C ATOM 953 C ALA A 64 0.455 2.795 -1.535 1.00 0.00 C ATOM 954 O ALA A 64 1.667 2.634 -1.389 1.00 0.00 O ATOM 955 CB ALA A 64 -0.934 4.484 -0.320 1.00 0.00 C ATOM 0 H ALA A 64 -1.811 4.954 -2.613 1.00 0.00 H new ATOM 0 HA ALA A 64 0.673 4.910 -1.665 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.285 4.361 0.547 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.310 5.507 -0.350 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.773 3.792 -0.247 1.00 0.00 H new ATOM 961 N ALA A 65 -0.400 1.784 -1.651 1.00 0.00 N ATOM 962 CA ALA A 65 0.048 0.397 -1.616 1.00 0.00 C ATOM 963 C ALA A 65 1.124 0.141 -2.666 1.00 0.00 C ATOM 964 O ALA A 65 2.220 -0.321 -2.346 1.00 0.00 O ATOM 965 CB ALA A 65 -1.130 -0.543 -1.825 1.00 0.00 C ATOM 0 H ALA A 65 -1.406 1.899 -1.770 1.00 0.00 H new ATOM 0 HA ALA A 65 0.482 0.206 -0.635 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.781 -1.575 -1.797 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.865 -0.386 -1.035 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.589 -0.342 -2.793 1.00 0.00 H new ATOM 971 N LYS A 66 0.805 0.443 -3.920 1.00 0.00 N ATOM 972 CA LYS A 66 1.744 0.246 -5.017 1.00 0.00 C ATOM 973 C LYS A 66 3.168 0.576 -4.581 1.00 0.00 C ATOM 974 O LYS A 66 4.100 -0.180 -4.851 1.00 0.00 O ATOM 975 CB LYS A 66 1.352 1.116 -6.214 1.00 0.00 C ATOM 976 CG LYS A 66 2.076 0.747 -7.497 1.00 0.00 C ATOM 977 CD LYS A 66 1.681 1.663 -8.643 1.00 0.00 C ATOM 978 CE LYS A 66 2.331 1.234 -9.949 1.00 0.00 C ATOM 979 NZ LYS A 66 3.708 1.785 -10.091 1.00 0.00 N ATOM 0 H LYS A 66 -0.098 0.825 -4.202 1.00 0.00 H new ATOM 0 HA LYS A 66 1.706 -0.803 -5.310 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.277 1.033 -6.376 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.559 2.160 -5.977 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.153 0.805 -7.338 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.848 -0.286 -7.760 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.597 1.659 -8.756 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.973 2.687 -8.409 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.369 0.146 -9.995 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.718 1.568 -10.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.117 1.470 -10.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.670 2.824 -10.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.300 1.446 -9.306 1.00 0.00 H new ATOM 993 N GLU A 67 3.327 1.708 -3.903 1.00 0.00 N ATOM 994 CA GLU A 67 4.638 2.137 -3.429 1.00 0.00 C ATOM 995 C GLU A 67 5.134 1.229 -2.307 1.00 0.00 C ATOM 996 O GLU A 67 6.287 0.800 -2.305 1.00 0.00 O ATOM 997 CB GLU A 67 4.580 3.585 -2.940 1.00 0.00 C ATOM 998 CG GLU A 67 4.853 4.607 -4.031 1.00 0.00 C ATOM 999 CD GLU A 67 5.125 5.993 -3.478 1.00 0.00 C ATOM 1000 OE1 GLU A 67 6.247 6.222 -2.980 1.00 0.00 O ATOM 1001 OE2 GLU A 67 4.217 6.847 -3.543 1.00 0.00 O ATOM 0 H GLU A 67 2.565 2.344 -3.670 1.00 0.00 H new ATOM 0 HA GLU A 67 5.337 2.071 -4.263 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.596 3.776 -2.513 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.307 3.718 -2.139 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.709 4.282 -4.622 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.998 4.650 -4.705 1.00 0.00 H new ATOM 1008 N ALA A 68 4.253 0.942 -1.353 1.00 0.00 N ATOM 1009 CA ALA A 68 4.600 0.085 -0.226 1.00 0.00 C ATOM 1010 C ALA A 68 5.097 -1.275 -0.703 1.00 0.00 C ATOM 1011 O ALA A 68 5.997 -1.863 -0.104 1.00 0.00 O ATOM 1012 CB ALA A 68 3.402 -0.082 0.697 1.00 0.00 C ATOM 0 H ALA A 68 3.294 1.290 -1.339 1.00 0.00 H new ATOM 0 HA ALA A 68 5.408 0.563 0.328 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.675 -0.724 1.534 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.094 0.893 1.073 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.578 -0.535 0.146 1.00 0.00 H new ATOM 1018 N TYR A 69 4.504 -1.770 -1.784 1.00 0.00 N ATOM 1019 CA TYR A 69 4.885 -3.063 -2.340 1.00 0.00 C ATOM 1020 C TYR A 69 6.362 -3.079 -2.722 1.00 0.00 C ATOM 1021 O TYR A 69 7.167 -3.771 -2.099 1.00 0.00 O ATOM 1022 CB TYR A 69 4.027 -3.389 -3.563 1.00 0.00 C ATOM 1023 CG TYR A 69 4.245 -4.784 -4.102 1.00 0.00 C ATOM 1024 CD1 TYR A 69 3.814 -5.899 -3.393 1.00 0.00 C ATOM 1025 CD2 TYR A 69 4.882 -4.989 -5.319 1.00 0.00 C ATOM 1026 CE1 TYR A 69 4.011 -7.176 -3.880 1.00 0.00 C ATOM 1027 CE2 TYR A 69 5.082 -6.263 -5.816 1.00 0.00 C ATOM 1028 CZ TYR A 69 4.646 -7.353 -5.092 1.00 0.00 C ATOM 1029 OH TYR A 69 4.845 -8.623 -5.583 1.00 0.00 O ATOM 0 H TYR A 69 3.758 -1.296 -2.292 1.00 0.00 H new ATOM 0 HA TYR A 69 4.718 -3.821 -1.575 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.976 -3.270 -3.301 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.243 -2.667 -4.350 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.316 -5.764 -2.444 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.227 -4.138 -5.887 1.00 0.00 H new ATOM 0 HE1 TYR A 69 3.670 -8.031 -3.315 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.577 -6.404 -6.766 1.00 0.00 H new ATOM 0 HH TYR A 69 5.305 -8.571 -6.447 1.00 0.00 H new ATOM 1039 N GLN A 70 6.709 -2.310 -3.749 1.00 0.00 N ATOM 1040 CA GLN A 70 8.088 -2.235 -4.215 1.00 0.00 C ATOM 1041 C GLN A 70 9.046 -2.019 -3.047 1.00 0.00 C ATOM 1042 O GLN A 70 10.147 -2.569 -3.023 1.00 0.00 O ATOM 1043 CB GLN A 70 8.244 -1.105 -5.234 1.00 0.00 C ATOM 1044 CG GLN A 70 7.725 0.235 -4.740 1.00 0.00 C ATOM 1045 CD GLN A 70 8.062 1.375 -5.681 1.00 0.00 C ATOM 1046 OE1 GLN A 70 7.341 1.633 -6.645 1.00 0.00 O ATOM 1047 NE2 GLN A 70 9.163 2.064 -5.406 1.00 0.00 N ATOM 0 H GLN A 70 6.054 -1.730 -4.274 1.00 0.00 H new ATOM 0 HA GLN A 70 8.335 -3.182 -4.694 1.00 0.00 H new ATOM 0 HB2 GLN A 70 9.298 -1.004 -5.493 1.00 0.00 H new ATOM 0 HB3 GLN A 70 7.715 -1.376 -6.148 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.643 0.178 -4.617 1.00 0.00 H new ATOM 0 HG3 GLN A 70 8.147 0.444 -3.757 1.00 0.00 H new ATOM 0 HE21 GLN A 70 9.731 1.815 -4.596 1.00 0.00 H new ATOM 0 HE22 GLN A 70 9.441 2.842 -6.004 1.00 0.00 H new ATOM 1056 N LYS A 71 8.619 -1.213 -2.080 1.00 0.00 N ATOM 1057 CA LYS A 71 9.437 -0.924 -0.909 1.00 0.00 C ATOM 1058 C LYS A 71 9.800 -2.207 -0.168 1.00 0.00 C ATOM 1059 O LYS A 71 10.901 -2.336 0.369 1.00 0.00 O ATOM 1060 CB LYS A 71 8.698 0.030 0.032 1.00 0.00 C ATOM 1061 CG LYS A 71 8.836 1.492 -0.352 1.00 0.00 C ATOM 1062 CD LYS A 71 10.251 1.997 -0.128 1.00 0.00 C ATOM 1063 CE LYS A 71 10.268 3.482 0.201 1.00 0.00 C ATOM 1064 NZ LYS A 71 10.083 3.729 1.658 1.00 0.00 N ATOM 0 H LYS A 71 7.711 -0.749 -2.085 1.00 0.00 H new ATOM 0 HA LYS A 71 10.358 -0.449 -1.248 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.641 -0.235 0.047 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.075 -0.108 1.045 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.565 1.621 -1.400 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.138 2.090 0.234 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.713 1.438 0.685 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.849 1.814 -1.021 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.214 3.915 -0.124 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.479 3.987 -0.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.578 4.603 1.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.069 3.826 1.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.473 2.930 2.198 1.00 0.00 H new ATOM 1078 N LEU A 72 8.868 -3.154 -0.143 1.00 0.00 N ATOM 1079 CA LEU A 72 9.090 -4.428 0.531 1.00 0.00 C ATOM 1080 C LEU A 72 10.049 -5.306 -0.267 1.00 0.00 C ATOM 1081 O LEU A 72 10.981 -5.890 0.289 1.00 0.00 O ATOM 1082 CB LEU A 72 7.762 -5.159 0.734 1.00 0.00 C ATOM 1083 CG LEU A 72 6.974 -4.783 1.989 1.00 0.00 C ATOM 1084 CD1 LEU A 72 5.566 -5.354 1.927 1.00 0.00 C ATOM 1085 CD2 LEU A 72 7.695 -5.272 3.237 1.00 0.00 C ATOM 0 H LEU A 72 7.952 -3.063 -0.582 1.00 0.00 H new ATOM 0 HA LEU A 72 9.537 -4.223 1.504 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.132 -4.974 -0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.960 -6.230 0.761 1.00 0.00 H new ATOM 0 HG LEU A 72 6.901 -3.696 2.037 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.021 -5.076 2.829 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.050 -4.956 1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.617 -6.440 1.854 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.120 -4.996 4.121 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.799 -6.356 3.196 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.683 -4.815 3.289 1.00 0.00 H new ATOM 1097 N LEU A 73 9.817 -5.394 -1.572 1.00 0.00 N ATOM 1098 CA LEU A 73 10.662 -6.198 -2.447 1.00 0.00 C ATOM 1099 C LEU A 73 12.122 -5.770 -2.339 1.00 0.00 C ATOM 1100 O LEU A 73 13.032 -6.586 -2.486 1.00 0.00 O ATOM 1101 CB LEU A 73 10.189 -6.078 -3.897 1.00 0.00 C ATOM 1102 CG LEU A 73 8.713 -6.386 -4.149 1.00 0.00 C ATOM 1103 CD1 LEU A 73 8.297 -5.911 -5.532 1.00 0.00 C ATOM 1104 CD2 LEU A 73 8.445 -7.876 -3.992 1.00 0.00 C ATOM 0 H LEU A 73 9.050 -4.918 -2.047 1.00 0.00 H new ATOM 0 HA LEU A 73 10.584 -7.238 -2.131 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.392 -5.064 -4.242 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.790 -6.749 -4.511 1.00 0.00 H new ATOM 0 HG LEU A 73 8.118 -5.850 -3.409 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.243 -6.139 -5.693 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.451 -4.835 -5.609 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.898 -6.418 -6.287 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.389 -8.077 -4.175 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.050 -8.432 -4.708 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.704 -8.188 -2.980 1.00 0.00 H new ATOM 1116 N LYS A 74 12.339 -4.485 -2.080 1.00 0.00 N ATOM 1117 CA LYS A 74 13.687 -3.947 -1.949 1.00 0.00 C ATOM 1118 C LYS A 74 14.182 -4.065 -0.511 1.00 0.00 C ATOM 1119 O LYS A 74 15.306 -4.502 -0.265 1.00 0.00 O ATOM 1120 CB LYS A 74 13.720 -2.483 -2.393 1.00 0.00 C ATOM 1121 CG LYS A 74 14.020 -2.302 -3.871 1.00 0.00 C ATOM 1122 CD LYS A 74 13.362 -1.049 -4.424 1.00 0.00 C ATOM 1123 CE LYS A 74 14.214 0.186 -4.170 1.00 0.00 C ATOM 1124 NZ LYS A 74 13.440 1.443 -4.363 1.00 0.00 N ATOM 0 H LYS A 74 11.597 -3.796 -1.957 1.00 0.00 H new ATOM 0 HA LYS A 74 14.348 -4.529 -2.591 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.759 -2.022 -2.167 1.00 0.00 H new ATOM 0 HB3 LYS A 74 14.473 -1.952 -1.810 1.00 0.00 H new ATOM 0 HG2 LYS A 74 15.098 -2.244 -4.020 1.00 0.00 H new ATOM 0 HG3 LYS A 74 13.668 -3.173 -4.424 1.00 0.00 H new ATOM 0 HD2 LYS A 74 13.198 -1.165 -5.495 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.383 -0.918 -3.964 1.00 0.00 H new ATOM 0 HE2 LYS A 74 14.606 0.154 -3.154 1.00 0.00 H new ATOM 0 HE3 LYS A 74 15.071 0.180 -4.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 14.056 2.261 -4.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 13.087 1.487 -5.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 12.636 1.461 -3.703 1.00 0.00 H new