USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=15 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 -158:sc= -1.49 (180deg=-1.49) USER MOD Set 1.2: A 51 THR OG1 : rot 180:sc= -0.763 USER MOD Set 2.1: A 25 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 42 CYS SG : rot 91:sc= -0.198 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0885 K(o=-0.089,f=-0.91) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0794 X(o=-0.079,f=-0.064) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.0565 K(o=-0.057,f=-1.8!) USER MOD Single : A 27 GLN : amide:sc= -0.121 K(o=-0.12,f=-1.9!) USER MOD Single : A 40 CYS SG : rot 2:sc= -0.43 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -122:sc= 0.883 (180deg=-0.0122) USER MOD Single : A 46 GLN : amide:sc= -4.62! C(o=-4.6!,f=-7.5!) USER MOD Single : A 47 THR OG1 : rot 66:sc= 0.117 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.253 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+ -157:sc= -0.103 (180deg=-0.815) USER MOD Single : A 62 GLN : amide:sc= -3.01! K(o=-3!,f=-0.21) 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= -0.895 K(o=-0.9,f=-3.7!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N TYR A 8 -1.046 -4.111 -7.934 1.00 0.00 N ATOM 67 CA TYR A 8 -0.405 -4.188 -6.626 1.00 0.00 C ATOM 68 C TYR A 8 -1.322 -3.640 -5.537 1.00 0.00 C ATOM 69 O TYR A 8 -1.276 -4.085 -4.390 1.00 0.00 O ATOM 70 CB TYR A 8 0.914 -3.415 -6.636 1.00 0.00 C ATOM 71 CG TYR A 8 1.613 -3.426 -7.976 1.00 0.00 C ATOM 72 CD1 TYR A 8 1.203 -2.583 -9.002 1.00 0.00 C ATOM 73 CD2 TYR A 8 2.682 -4.279 -8.218 1.00 0.00 C ATOM 74 CE1 TYR A 8 1.838 -2.589 -10.229 1.00 0.00 C ATOM 75 CE2 TYR A 8 3.324 -4.292 -9.441 1.00 0.00 C ATOM 76 CZ TYR A 8 2.898 -3.445 -10.444 1.00 0.00 C ATOM 77 OH TYR A 8 3.534 -3.456 -11.664 1.00 0.00 O ATOM 0 HA TYR A 8 -0.202 -5.237 -6.410 1.00 0.00 H new ATOM 0 HB2 TYR A 8 0.722 -2.382 -6.344 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.580 -3.840 -5.885 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.373 -1.911 -8.837 1.00 0.00 H new ATOM 0 HD2 TYR A 8 3.017 -4.944 -7.436 1.00 0.00 H new ATOM 0 HE1 TYR A 8 1.506 -1.927 -11.015 1.00 0.00 H new ATOM 0 HE2 TYR A 8 4.154 -4.961 -9.611 1.00 0.00 H new ATOM 0 HH TYR A 8 4.259 -4.115 -11.649 1.00 0.00 H new ATOM 87 N ILE A 9 -2.153 -2.670 -5.905 1.00 0.00 N ATOM 88 CA ILE A 9 -3.081 -2.062 -4.960 1.00 0.00 C ATOM 89 C ILE A 9 -3.582 -3.083 -3.945 1.00 0.00 C ATOM 90 O ILE A 9 -3.735 -2.776 -2.764 1.00 0.00 O ATOM 91 CB ILE A 9 -4.290 -1.437 -5.682 1.00 0.00 C ATOM 92 CG1 ILE A 9 -3.821 -0.567 -6.850 1.00 0.00 C ATOM 93 CG2 ILE A 9 -5.125 -0.621 -4.708 1.00 0.00 C ATOM 94 CD1 ILE A 9 -2.749 0.430 -6.468 1.00 0.00 C ATOM 0 H ILE A 9 -2.202 -2.289 -6.850 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.532 -1.277 -4.440 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.912 -2.240 -6.079 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.441 -1.211 -7.643 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.677 -0.030 -7.259 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.975 -0.186 -5.233 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.485 -1.267 -3.907 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.514 0.176 -4.284 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.465 1.012 -7.345 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.132 1.099 -5.697 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.877 -0.101 -6.087 1.00 0.00 H new ATOM 106 N GLY A 10 -3.833 -4.302 -4.414 1.00 0.00 N ATOM 107 CA GLY A 10 -4.312 -5.352 -3.534 1.00 0.00 C ATOM 108 C GLY A 10 -3.185 -6.198 -2.975 1.00 0.00 C ATOM 109 O GLY A 10 -3.299 -6.750 -1.879 1.00 0.00 O ATOM 0 H GLY A 10 -3.713 -4.581 -5.388 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.870 -4.906 -2.711 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.006 -5.991 -4.080 1.00 0.00 H new ATOM 113 N LEU A 11 -2.096 -6.302 -3.727 1.00 0.00 N ATOM 114 CA LEU A 11 -0.944 -7.089 -3.301 1.00 0.00 C ATOM 115 C LEU A 11 -0.623 -6.833 -1.832 1.00 0.00 C ATOM 116 O LEU A 11 -0.627 -7.754 -1.015 1.00 0.00 O ATOM 117 CB LEU A 11 0.274 -6.757 -4.166 1.00 0.00 C ATOM 118 CG LEU A 11 0.398 -7.536 -5.476 1.00 0.00 C ATOM 119 CD1 LEU A 11 1.517 -6.963 -6.333 1.00 0.00 C ATOM 120 CD2 LEU A 11 0.640 -9.012 -5.198 1.00 0.00 C ATOM 0 H LEU A 11 -1.986 -5.851 -4.635 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.191 -8.144 -3.422 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.249 -5.693 -4.400 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.173 -6.933 -3.575 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.539 -7.439 -6.024 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.591 -7.530 -7.261 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.302 -5.919 -6.561 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.461 -7.029 -5.791 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.726 -9.551 -6.142 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.562 -9.129 -4.629 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.194 -9.416 -4.624 1.00 0.00 H new ATOM 132 N VAL A 12 -0.348 -5.575 -1.502 1.00 0.00 N ATOM 133 CA VAL A 12 -0.029 -5.196 -0.131 1.00 0.00 C ATOM 134 C VAL A 12 -1.026 -5.799 0.852 1.00 0.00 C ATOM 135 O VAL A 12 -0.660 -6.604 1.708 1.00 0.00 O ATOM 136 CB VAL A 12 -0.017 -3.665 0.041 1.00 0.00 C ATOM 137 CG1 VAL A 12 -0.013 -3.293 1.516 1.00 0.00 C ATOM 138 CG2 VAL A 12 1.181 -3.059 -0.674 1.00 0.00 C ATOM 0 H VAL A 12 -0.340 -4.801 -2.166 1.00 0.00 H new ATOM 0 HA VAL A 12 0.967 -5.585 0.081 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.923 -3.259 -0.408 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.004 -2.208 1.618 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.906 -3.695 1.995 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.874 -3.709 1.994 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.174 -1.977 -0.542 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.100 -3.470 -0.256 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.128 -3.296 -1.737 1.00 0.00 H new ATOM 148 N ASN A 13 -2.288 -5.404 0.723 1.00 0.00 N ATOM 149 CA ASN A 13 -3.339 -5.906 1.601 1.00 0.00 C ATOM 150 C ASN A 13 -3.085 -7.363 1.977 1.00 0.00 C ATOM 151 O ASN A 13 -3.372 -7.785 3.097 1.00 0.00 O ATOM 152 CB ASN A 13 -4.705 -5.774 0.923 1.00 0.00 C ATOM 153 CG ASN A 13 -5.303 -4.391 1.094 1.00 0.00 C ATOM 154 OD1 ASN A 13 -5.170 -3.771 2.149 1.00 0.00 O ATOM 155 ND2 ASN A 13 -5.968 -3.902 0.053 1.00 0.00 N ATOM 0 H ASN A 13 -2.608 -4.738 0.020 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.333 -5.308 2.512 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.603 -5.994 -0.140 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -5.387 -6.516 1.338 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -6.394 -2.977 0.109 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -6.053 -4.452 -0.802 1.00 0.00 H new ATOM 162 N SER A 14 -2.544 -8.126 1.033 1.00 0.00 N ATOM 163 CA SER A 14 -2.253 -9.536 1.263 1.00 0.00 C ATOM 164 C SER A 14 -0.845 -9.717 1.823 1.00 0.00 C ATOM 165 O SER A 14 -0.609 -10.570 2.678 1.00 0.00 O ATOM 166 CB SER A 14 -2.403 -10.329 -0.037 1.00 0.00 C ATOM 167 OG SER A 14 -2.651 -11.699 0.227 1.00 0.00 O ATOM 0 H SER A 14 -2.298 -7.791 0.101 1.00 0.00 H new ATOM 0 HA SER A 14 -2.967 -9.913 1.995 1.00 0.00 H new ATOM 0 HB2 SER A 14 -3.221 -9.915 -0.627 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.497 -10.229 -0.634 1.00 0.00 H new ATOM 0 HG SER A 14 -2.744 -12.184 -0.620 1.00 0.00 H new ATOM 173 N PHE A 15 0.087 -8.906 1.333 1.00 0.00 N ATOM 174 CA PHE A 15 1.473 -8.976 1.782 1.00 0.00 C ATOM 175 C PHE A 15 1.565 -8.786 3.294 1.00 0.00 C ATOM 176 O PHE A 15 2.131 -9.619 4.001 1.00 0.00 O ATOM 177 CB PHE A 15 2.315 -7.914 1.072 1.00 0.00 C ATOM 178 CG PHE A 15 3.773 -8.266 0.983 1.00 0.00 C ATOM 179 CD1 PHE A 15 4.648 -7.910 1.996 1.00 0.00 C ATOM 180 CD2 PHE A 15 4.267 -8.954 -0.114 1.00 0.00 C ATOM 181 CE1 PHE A 15 5.990 -8.232 1.916 1.00 0.00 C ATOM 182 CE2 PHE A 15 5.608 -9.280 -0.199 1.00 0.00 C ATOM 183 CZ PHE A 15 6.470 -8.919 0.818 1.00 0.00 C ATOM 0 H PHE A 15 -0.092 -8.193 0.626 1.00 0.00 H new ATOM 0 HA PHE A 15 1.860 -9.964 1.533 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.923 -7.764 0.066 1.00 0.00 H new ATOM 0 HB3 PHE A 15 2.210 -6.966 1.599 1.00 0.00 H new ATOM 0 HD1 PHE A 15 4.278 -7.375 2.858 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.597 -9.239 -0.912 1.00 0.00 H new ATOM 0 HE1 PHE A 15 6.663 -7.947 2.711 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.981 -9.816 -1.059 1.00 0.00 H new ATOM 0 HZ PHE A 15 7.518 -9.173 0.755 1.00 0.00 H new ATOM 193 N ALA A 16 1.004 -7.684 3.781 1.00 0.00 N ATOM 194 CA ALA A 16 1.021 -7.385 5.207 1.00 0.00 C ATOM 195 C ALA A 16 0.551 -8.584 6.025 1.00 0.00 C ATOM 196 O ALA A 16 1.282 -9.092 6.874 1.00 0.00 O ATOM 197 CB ALA A 16 0.154 -6.170 5.502 1.00 0.00 C ATOM 0 H ALA A 16 0.532 -6.984 3.209 1.00 0.00 H new ATOM 0 HA ALA A 16 2.049 -7.163 5.494 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.176 -5.958 6.571 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.536 -5.309 4.954 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.872 -6.371 5.193 1.00 0.00 H new ATOM 203 N GLN A 17 -0.674 -9.029 5.763 1.00 0.00 N ATOM 204 CA GLN A 17 -1.241 -10.167 6.476 1.00 0.00 C ATOM 205 C GLN A 17 -0.344 -11.394 6.346 1.00 0.00 C ATOM 206 O GLN A 17 -0.005 -12.036 7.340 1.00 0.00 O ATOM 207 CB GLN A 17 -2.639 -10.485 5.943 1.00 0.00 C ATOM 208 CG GLN A 17 -3.572 -11.068 6.992 1.00 0.00 C ATOM 209 CD GLN A 17 -4.005 -10.044 8.022 1.00 0.00 C ATOM 210 OE1 GLN A 17 -4.876 -9.213 7.762 1.00 0.00 O ATOM 211 NE2 GLN A 17 -3.397 -10.097 9.202 1.00 0.00 N ATOM 0 H GLN A 17 -1.292 -8.619 5.063 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.313 -9.902 7.531 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.082 -9.573 5.541 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -2.552 -11.189 5.115 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -4.454 -11.478 6.500 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.074 -11.896 7.496 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -2.681 -10.802 9.375 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.647 -9.433 9.935 1.00 0.00 H new ATOM 220 N LYS A 18 0.038 -11.713 5.115 1.00 0.00 N ATOM 221 CA LYS A 18 0.897 -12.862 4.853 1.00 0.00 C ATOM 222 C LYS A 18 2.146 -12.817 5.728 1.00 0.00 C ATOM 223 O LYS A 18 2.631 -13.851 6.190 1.00 0.00 O ATOM 224 CB LYS A 18 1.297 -12.901 3.376 1.00 0.00 C ATOM 225 CG LYS A 18 0.233 -13.503 2.475 1.00 0.00 C ATOM 226 CD LYS A 18 0.737 -13.665 1.050 1.00 0.00 C ATOM 227 CE LYS A 18 -0.057 -14.721 0.295 1.00 0.00 C ATOM 228 NZ LYS A 18 0.379 -14.832 -1.125 1.00 0.00 N ATOM 0 H LYS A 18 -0.234 -11.192 4.282 1.00 0.00 H new ATOM 0 HA LYS A 18 0.337 -13.765 5.095 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.515 -11.887 3.040 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.217 -13.476 3.272 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.071 -14.474 2.867 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.652 -12.866 2.479 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.666 -12.711 0.527 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.791 -13.942 1.065 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.061 -15.686 0.788 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.118 -14.473 0.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.185 -15.562 -1.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.242 -13.918 -1.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.385 -15.094 -1.160 1.00 0.00 H new ATOM 242 N LYS A 19 2.663 -11.614 5.952 1.00 0.00 N ATOM 243 CA LYS A 19 3.855 -11.433 6.773 1.00 0.00 C ATOM 244 C LYS A 19 3.477 -11.139 8.221 1.00 0.00 C ATOM 245 O LYS A 19 4.266 -10.568 8.975 1.00 0.00 O ATOM 246 CB LYS A 19 4.714 -10.295 6.218 1.00 0.00 C ATOM 247 CG LYS A 19 5.630 -10.723 5.084 1.00 0.00 C ATOM 248 CD LYS A 19 6.892 -9.878 5.038 1.00 0.00 C ATOM 249 CE LYS A 19 7.760 -10.237 3.842 1.00 0.00 C ATOM 250 NZ LYS A 19 8.480 -11.524 4.045 1.00 0.00 N ATOM 0 H LYS A 19 2.275 -10.749 5.576 1.00 0.00 H new ATOM 0 HA LYS A 19 4.429 -12.359 6.746 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.061 -9.497 5.865 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.318 -9.880 7.025 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.898 -11.772 5.208 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.100 -10.639 4.135 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.623 -8.823 4.990 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.460 -10.021 5.957 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.138 -10.306 2.950 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.483 -9.440 3.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.060 -11.733 3.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.093 -11.450 4.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.790 -12.289 4.188 1.00 0.00 H new ATOM 264 N LYS A 20 2.268 -11.534 8.605 1.00 0.00 N ATOM 265 CA LYS A 20 1.787 -11.316 9.964 1.00 0.00 C ATOM 266 C LYS A 20 2.096 -9.897 10.429 1.00 0.00 C ATOM 267 O LYS A 20 2.332 -9.659 11.615 1.00 0.00 O ATOM 268 CB LYS A 20 2.421 -12.328 10.920 1.00 0.00 C ATOM 269 CG LYS A 20 1.776 -13.702 10.868 1.00 0.00 C ATOM 270 CD LYS A 20 0.409 -13.702 11.530 1.00 0.00 C ATOM 271 CE LYS A 20 0.521 -13.851 13.040 1.00 0.00 C ATOM 272 NZ LYS A 20 0.630 -15.279 13.449 1.00 0.00 N ATOM 0 H LYS A 20 1.603 -12.007 7.994 1.00 0.00 H new ATOM 0 HA LYS A 20 0.706 -11.452 9.967 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.481 -12.424 10.683 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.356 -11.944 11.938 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.678 -14.020 9.830 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.421 -14.427 11.364 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.111 -12.774 11.292 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.192 -14.517 11.126 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.394 -13.304 13.395 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.352 -13.403 13.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.704 -15.339 14.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.215 -15.796 13.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.477 -15.700 13.016 1.00 0.00 H new ATOM 286 N LEU A 21 2.094 -8.957 9.490 1.00 0.00 N ATOM 287 CA LEU A 21 2.373 -7.560 9.805 1.00 0.00 C ATOM 288 C LEU A 21 1.084 -6.747 9.865 1.00 0.00 C ATOM 289 O LEU A 21 0.000 -7.262 9.588 1.00 0.00 O ATOM 290 CB LEU A 21 3.319 -6.962 8.763 1.00 0.00 C ATOM 291 CG LEU A 21 4.793 -7.346 8.895 1.00 0.00 C ATOM 292 CD1 LEU A 21 5.478 -7.308 7.538 1.00 0.00 C ATOM 293 CD2 LEU A 21 5.499 -6.422 9.877 1.00 0.00 C ATOM 0 H LEU A 21 1.902 -9.137 8.504 1.00 0.00 H new ATOM 0 HA LEU A 21 2.850 -7.522 10.784 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.973 -7.262 7.774 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.241 -5.876 8.812 1.00 0.00 H new ATOM 0 HG LEU A 21 4.850 -8.364 9.280 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.526 -7.584 7.652 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.989 -8.011 6.864 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.411 -6.302 7.124 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.547 -6.710 9.958 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.432 -5.394 9.522 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.024 -6.500 10.855 1.00 0.00 H new ATOM 305 N SER A 22 1.209 -5.474 10.226 1.00 0.00 N ATOM 306 CA SER A 22 0.054 -4.590 10.323 1.00 0.00 C ATOM 307 C SER A 22 0.135 -3.473 9.287 1.00 0.00 C ATOM 308 O SER A 22 1.186 -2.860 9.099 1.00 0.00 O ATOM 309 CB SER A 22 -0.040 -3.991 11.728 1.00 0.00 C ATOM 310 OG SER A 22 -1.389 -3.766 12.097 1.00 0.00 O ATOM 0 H SER A 22 2.099 -5.032 10.456 1.00 0.00 H new ATOM 0 HA SER A 22 -0.841 -5.180 10.126 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.429 -4.664 12.446 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.512 -3.052 11.764 1.00 0.00 H new ATOM 0 HG SER A 22 -1.422 -3.385 12.999 1.00 0.00 H new ATOM 316 N VAL A 23 -0.983 -3.215 8.615 1.00 0.00 N ATOM 317 CA VAL A 23 -1.040 -2.172 7.598 1.00 0.00 C ATOM 318 C VAL A 23 -1.979 -1.047 8.017 1.00 0.00 C ATOM 319 O VAL A 23 -3.075 -1.293 8.516 1.00 0.00 O ATOM 320 CB VAL A 23 -1.504 -2.736 6.242 1.00 0.00 C ATOM 321 CG1 VAL A 23 -3.023 -2.765 6.167 1.00 0.00 C ATOM 322 CG2 VAL A 23 -0.922 -1.919 5.098 1.00 0.00 C ATOM 0 H VAL A 23 -1.861 -3.714 8.757 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.030 -1.777 7.492 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.140 -3.759 6.150 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.332 -3.166 5.202 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.415 -3.396 6.965 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.412 -1.753 6.281 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.260 -2.332 4.147 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.255 -0.885 5.184 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.167 -1.955 5.142 1.00 0.00 H new ATOM 332 N ASN A 24 -1.540 0.191 7.809 1.00 0.00 N ATOM 333 CA ASN A 24 -2.342 1.356 8.165 1.00 0.00 C ATOM 334 C ASN A 24 -2.317 2.396 7.049 1.00 0.00 C ATOM 335 O ASN A 24 -1.365 2.464 6.271 1.00 0.00 O ATOM 336 CB ASN A 24 -1.829 1.975 9.466 1.00 0.00 C ATOM 337 CG ASN A 24 -2.492 1.377 10.692 1.00 0.00 C ATOM 338 OD1 ASN A 24 -2.665 0.162 10.787 1.00 0.00 O ATOM 339 ND2 ASN A 24 -2.866 2.230 11.638 1.00 0.00 N ATOM 0 H ASN A 24 -0.634 0.413 7.396 1.00 0.00 H new ATOM 0 HA ASN A 24 -3.372 1.028 8.308 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.751 1.831 9.533 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.007 3.050 9.448 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.317 1.886 12.486 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.703 3.230 11.517 1.00 0.00 H new ATOM 346 N TYR A 25 -3.369 3.204 6.976 1.00 0.00 N ATOM 347 CA TYR A 25 -3.468 4.239 5.955 1.00 0.00 C ATOM 348 C TYR A 25 -3.884 5.572 6.569 1.00 0.00 C ATOM 349 O TYR A 25 -5.037 5.755 6.959 1.00 0.00 O ATOM 350 CB TYR A 25 -4.472 3.827 4.877 1.00 0.00 C ATOM 351 CG TYR A 25 -4.083 2.565 4.139 1.00 0.00 C ATOM 352 CD1 TYR A 25 -4.379 1.312 4.663 1.00 0.00 C ATOM 353 CD2 TYR A 25 -3.421 2.626 2.919 1.00 0.00 C ATOM 354 CE1 TYR A 25 -4.025 0.157 3.993 1.00 0.00 C ATOM 355 CE2 TYR A 25 -3.065 1.475 2.242 1.00 0.00 C ATOM 356 CZ TYR A 25 -3.369 0.244 2.783 1.00 0.00 C ATOM 357 OH TYR A 25 -3.015 -0.904 2.112 1.00 0.00 O ATOM 0 H TYR A 25 -4.165 3.162 7.612 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.485 4.360 5.500 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.449 3.682 5.338 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.576 4.641 4.159 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.894 1.240 5.609 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -3.181 3.589 2.493 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -4.261 -0.809 4.414 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.551 1.540 1.294 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.562 -0.668 1.276 1.00 0.00 H new ATOM 367 N GLU A 26 -2.936 6.500 6.651 1.00 0.00 N ATOM 368 CA GLU A 26 -3.203 7.817 7.218 1.00 0.00 C ATOM 369 C GLU A 26 -3.510 8.830 6.119 1.00 0.00 C ATOM 370 O GLU A 26 -3.141 8.636 4.961 1.00 0.00 O ATOM 371 CB GLU A 26 -2.007 8.293 8.046 1.00 0.00 C ATOM 372 CG GLU A 26 -0.828 8.751 7.204 1.00 0.00 C ATOM 373 CD GLU A 26 0.101 9.682 7.959 1.00 0.00 C ATOM 374 OE1 GLU A 26 0.676 9.247 8.978 1.00 0.00 O ATOM 375 OE2 GLU A 26 0.251 10.845 7.532 1.00 0.00 O ATOM 0 H GLU A 26 -1.977 6.364 6.332 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.075 7.735 7.867 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.324 9.114 8.689 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.683 7.483 8.700 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.267 7.880 6.866 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.198 9.257 6.312 1.00 0.00 H new ATOM 382 N GLN A 27 -4.189 9.910 6.492 1.00 0.00 N ATOM 383 CA GLN A 27 -4.547 10.954 5.538 1.00 0.00 C ATOM 384 C GLN A 27 -4.026 12.312 5.995 1.00 0.00 C ATOM 385 O GLN A 27 -3.899 12.568 7.193 1.00 0.00 O ATOM 386 CB GLN A 27 -6.065 11.011 5.358 1.00 0.00 C ATOM 387 CG GLN A 27 -6.525 12.111 4.416 1.00 0.00 C ATOM 388 CD GLN A 27 -7.982 12.481 4.618 1.00 0.00 C ATOM 389 OE1 GLN A 27 -8.608 12.073 5.597 1.00 0.00 O ATOM 390 NE2 GLN A 27 -8.529 13.258 3.691 1.00 0.00 N ATOM 0 H GLN A 27 -4.502 10.085 7.447 1.00 0.00 H new ATOM 0 HA GLN A 27 -4.084 10.711 4.582 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.414 10.050 4.979 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -6.533 11.159 6.331 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.905 12.995 4.566 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.376 11.788 3.386 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.973 13.573 2.896 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.506 13.540 3.774 1.00 0.00 H new ATOM 553 N PHE A 38 -7.076 14.975 -1.837 1.00 0.00 N ATOM 554 CA PHE A 38 -7.090 13.736 -1.067 1.00 0.00 C ATOM 555 C PHE A 38 -5.708 13.090 -1.052 1.00 0.00 C ATOM 556 O PHE A 38 -5.185 12.694 -2.094 1.00 0.00 O ATOM 557 CB PHE A 38 -8.115 12.761 -1.649 1.00 0.00 C ATOM 558 CG PHE A 38 -9.488 12.912 -1.060 1.00 0.00 C ATOM 559 CD1 PHE A 38 -9.832 12.251 0.108 1.00 0.00 C ATOM 560 CD2 PHE A 38 -10.436 13.716 -1.674 1.00 0.00 C ATOM 561 CE1 PHE A 38 -11.095 12.388 0.652 1.00 0.00 C ATOM 562 CE2 PHE A 38 -11.700 13.857 -1.135 1.00 0.00 C ATOM 563 CZ PHE A 38 -12.030 13.193 0.031 1.00 0.00 C ATOM 0 HA PHE A 38 -7.370 13.977 -0.042 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.173 12.908 -2.727 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -7.768 11.741 -1.485 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -9.105 11.621 0.599 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -10.183 14.238 -2.585 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.351 11.866 1.562 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -12.429 14.485 -1.624 1.00 0.00 H new ATOM 0 HZ PHE A 38 -13.017 13.303 0.456 1.00 0.00 H new ATOM 573 N ILE A 39 -5.122 12.987 0.136 1.00 0.00 N ATOM 574 CA ILE A 39 -3.802 12.389 0.287 1.00 0.00 C ATOM 575 C ILE A 39 -3.824 11.260 1.312 1.00 0.00 C ATOM 576 O ILE A 39 -4.488 11.358 2.344 1.00 0.00 O ATOM 577 CB ILE A 39 -2.756 13.435 0.715 1.00 0.00 C ATOM 578 CG1 ILE A 39 -2.826 14.662 -0.197 1.00 0.00 C ATOM 579 CG2 ILE A 39 -1.360 12.829 0.691 1.00 0.00 C ATOM 580 CD1 ILE A 39 -2.353 14.393 -1.608 1.00 0.00 C ATOM 0 H ILE A 39 -5.541 13.310 1.008 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.524 11.987 -0.687 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.976 13.751 1.735 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.854 15.022 -0.230 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.222 15.460 0.234 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.632 13.581 0.996 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.318 11.984 1.378 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.129 12.488 -0.318 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.430 15.306 -2.198 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.315 14.062 -1.587 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.972 13.617 -2.058 1.00 0.00 H new ATOM 592 N CYS A 40 -3.093 10.190 1.020 1.00 0.00 N ATOM 593 CA CYS A 40 -3.028 9.041 1.917 1.00 0.00 C ATOM 594 C CYS A 40 -1.600 8.516 2.025 1.00 0.00 C ATOM 595 O CYS A 40 -0.775 8.740 1.138 1.00 0.00 O ATOM 596 CB CYS A 40 -3.956 7.930 1.425 1.00 0.00 C ATOM 597 SG CYS A 40 -4.621 6.886 2.743 1.00 0.00 S ATOM 0 H CYS A 40 -2.537 10.094 0.170 1.00 0.00 H new ATOM 0 HA CYS A 40 -3.353 9.365 2.906 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.785 8.379 0.879 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.412 7.303 0.719 1.00 0.00 H new ATOM 0 HG CYS A 40 -4.201 7.320 3.894 1.00 0.00 H new ATOM 603 N LYS A 41 -1.313 7.819 3.119 1.00 0.00 N ATOM 604 CA LYS A 41 0.016 7.262 3.345 1.00 0.00 C ATOM 605 C LYS A 41 -0.076 5.865 3.951 1.00 0.00 C ATOM 606 O LYS A 41 -0.668 5.677 5.014 1.00 0.00 O ATOM 607 CB LYS A 41 0.825 8.177 4.267 1.00 0.00 C ATOM 608 CG LYS A 41 1.541 9.299 3.535 1.00 0.00 C ATOM 609 CD LYS A 41 0.627 10.492 3.311 1.00 0.00 C ATOM 610 CE LYS A 41 1.408 11.797 3.293 1.00 0.00 C ATOM 611 NZ LYS A 41 0.580 12.945 3.756 1.00 0.00 N ATOM 0 H LYS A 41 -1.983 7.626 3.864 1.00 0.00 H new ATOM 0 HA LYS A 41 0.521 7.189 2.382 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.158 8.609 5.013 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.560 7.578 4.805 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.413 9.611 4.109 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.906 8.934 2.575 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.095 10.372 2.367 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.126 10.528 4.099 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.287 11.703 3.930 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.766 11.992 2.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.148 13.816 3.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.246 13.051 3.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.259 12.771 4.730 1.00 0.00 H new ATOM 625 N CYS A 42 0.515 4.890 3.269 1.00 0.00 N ATOM 626 CA CYS A 42 0.500 3.510 3.741 1.00 0.00 C ATOM 627 C CYS A 42 1.653 3.253 4.706 1.00 0.00 C ATOM 628 O CYS A 42 2.820 3.269 4.314 1.00 0.00 O ATOM 629 CB CYS A 42 0.584 2.544 2.558 1.00 0.00 C ATOM 630 SG CYS A 42 0.376 0.805 3.009 1.00 0.00 S ATOM 0 H CYS A 42 1.010 5.029 2.388 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.438 3.343 4.271 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.180 2.813 1.828 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.550 2.668 2.069 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.882 0.485 2.934 1.00 0.00 H new ATOM 636 N LYS A 43 1.318 3.017 5.970 1.00 0.00 N ATOM 637 CA LYS A 43 2.325 2.757 6.993 1.00 0.00 C ATOM 638 C LYS A 43 2.133 1.373 7.605 1.00 0.00 C ATOM 639 O LYS A 43 1.050 1.042 8.087 1.00 0.00 O ATOM 640 CB LYS A 43 2.256 3.825 8.087 1.00 0.00 C ATOM 641 CG LYS A 43 2.966 5.117 7.722 1.00 0.00 C ATOM 642 CD LYS A 43 2.384 6.304 8.471 1.00 0.00 C ATOM 643 CE LYS A 43 2.769 6.279 9.942 1.00 0.00 C ATOM 644 NZ LYS A 43 2.200 7.437 10.684 1.00 0.00 N ATOM 0 H LYS A 43 0.357 3.000 6.311 1.00 0.00 H new ATOM 0 HA LYS A 43 3.307 2.793 6.520 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.210 4.044 8.304 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.694 3.425 9.001 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.028 5.027 7.950 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.884 5.287 6.649 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.737 7.230 8.017 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.298 6.297 8.378 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.418 5.351 10.393 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.855 6.287 10.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.970 7.980 11.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.678 8.049 10.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.554 7.092 11.423 1.00 0.00 H new ATOM 658 N ILE A 44 3.191 0.570 7.583 1.00 0.00 N ATOM 659 CA ILE A 44 3.139 -0.776 8.139 1.00 0.00 C ATOM 660 C ILE A 44 3.866 -0.847 9.478 1.00 0.00 C ATOM 661 O ILE A 44 5.092 -0.774 9.535 1.00 0.00 O ATOM 662 CB ILE A 44 3.759 -1.806 7.176 1.00 0.00 C ATOM 663 CG1 ILE A 44 2.813 -2.075 6.004 1.00 0.00 C ATOM 664 CG2 ILE A 44 4.076 -3.098 7.915 1.00 0.00 C ATOM 665 CD1 ILE A 44 2.200 -0.821 5.422 1.00 0.00 C ATOM 0 H ILE A 44 4.094 0.828 7.186 1.00 0.00 H new ATOM 0 HA ILE A 44 2.086 -1.016 8.287 1.00 0.00 H new ATOM 0 HB ILE A 44 4.690 -1.398 6.781 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.359 -2.600 5.220 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.015 -2.739 6.337 1.00 0.00 H new ATOM 0 HG21 ILE A 44 4.513 -3.816 7.221 1.00 0.00 H new ATOM 0 HG22 ILE A 44 4.783 -2.893 8.719 1.00 0.00 H new ATOM 0 HG23 ILE A 44 3.159 -3.511 8.335 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.541 -1.088 4.596 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.626 -0.305 6.192 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.991 -0.165 5.058 1.00 0.00 H new ATOM 677 N GLY A 45 3.098 -0.991 10.554 1.00 0.00 N ATOM 678 CA GLY A 45 3.686 -1.071 11.878 1.00 0.00 C ATOM 679 C GLY A 45 4.430 0.193 12.260 1.00 0.00 C ATOM 680 O GLY A 45 5.594 0.140 12.656 1.00 0.00 O ATOM 0 H GLY A 45 2.080 -1.054 10.532 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.901 -1.262 12.610 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.371 -1.918 11.917 1.00 0.00 H new ATOM 684 N GLN A 46 3.757 1.333 12.141 1.00 0.00 N ATOM 685 CA GLN A 46 4.363 2.616 12.474 1.00 0.00 C ATOM 686 C GLN A 46 5.578 2.890 11.594 1.00 0.00 C ATOM 687 O GLN A 46 6.481 3.635 11.976 1.00 0.00 O ATOM 688 CB GLN A 46 4.770 2.644 13.948 1.00 0.00 C ATOM 689 CG GLN A 46 3.590 2.607 14.906 1.00 0.00 C ATOM 690 CD GLN A 46 2.518 1.627 14.474 1.00 0.00 C ATOM 691 OE1 GLN A 46 2.782 0.436 14.304 1.00 0.00 O ATOM 692 NE2 GLN A 46 1.299 2.123 14.294 1.00 0.00 N ATOM 0 H GLN A 46 2.792 1.394 11.816 1.00 0.00 H new ATOM 0 HA GLN A 46 3.623 3.396 12.293 1.00 0.00 H new ATOM 0 HB2 GLN A 46 5.420 1.794 14.153 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.354 3.545 14.138 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.943 2.338 15.901 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.156 3.604 14.981 1.00 0.00 H new ATOM 0 HE21 GLN A 46 1.125 3.116 14.446 1.00 0.00 H new ATOM 0 HE22 GLN A 46 0.537 1.510 14.004 1.00 0.00 H new ATOM 701 N THR A 47 5.595 2.281 10.412 1.00 0.00 N ATOM 702 CA THR A 47 6.700 2.458 9.477 1.00 0.00 C ATOM 703 C THR A 47 6.202 2.960 8.127 1.00 0.00 C ATOM 704 O THR A 47 5.350 2.335 7.497 1.00 0.00 O ATOM 705 CB THR A 47 7.475 1.143 9.269 1.00 0.00 C ATOM 706 OG1 THR A 47 7.889 0.613 10.533 1.00 0.00 O ATOM 707 CG2 THR A 47 8.692 1.367 8.384 1.00 0.00 C ATOM 0 H THR A 47 4.856 1.661 10.080 1.00 0.00 H new ATOM 0 HA THR A 47 7.368 3.200 9.913 1.00 0.00 H new ATOM 0 HB THR A 47 6.813 0.431 8.776 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.100 0.357 11.055 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.224 0.425 8.251 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.371 1.743 7.412 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.354 2.094 8.854 1.00 0.00 H new ATOM 715 N MET A 48 6.741 4.093 7.688 1.00 0.00 N ATOM 716 CA MET A 48 6.352 4.678 6.410 1.00 0.00 C ATOM 717 C MET A 48 7.008 3.936 5.250 1.00 0.00 C ATOM 718 O MET A 48 8.234 3.854 5.167 1.00 0.00 O ATOM 719 CB MET A 48 6.735 6.159 6.365 1.00 0.00 C ATOM 720 CG MET A 48 6.271 6.868 5.103 1.00 0.00 C ATOM 721 SD MET A 48 6.405 8.662 5.226 1.00 0.00 S ATOM 722 CE MET A 48 4.766 9.160 4.702 1.00 0.00 C ATOM 0 H MET A 48 7.447 4.624 8.198 1.00 0.00 H new ATOM 0 HA MET A 48 5.270 4.586 6.311 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.309 6.663 7.233 1.00 0.00 H new ATOM 0 HB3 MET A 48 7.818 6.248 6.445 1.00 0.00 H new ATOM 0 HG2 MET A 48 6.864 6.520 4.257 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.235 6.598 4.899 1.00 0.00 H new ATOM 0 HE1 MET A 48 4.794 10.191 4.350 1.00 0.00 H new ATOM 0 HE2 MET A 48 4.429 8.510 3.894 1.00 0.00 H new ATOM 0 HE3 MET A 48 4.076 9.082 5.542 1.00 0.00 H new ATOM 732 N TYR A 49 6.185 3.398 4.357 1.00 0.00 N ATOM 733 CA TYR A 49 6.686 2.660 3.203 1.00 0.00 C ATOM 734 C TYR A 49 6.381 3.404 1.906 1.00 0.00 C ATOM 735 O TYR A 49 7.287 3.764 1.156 1.00 0.00 O ATOM 736 CB TYR A 49 6.070 1.261 3.159 1.00 0.00 C ATOM 737 CG TYR A 49 6.873 0.221 3.907 1.00 0.00 C ATOM 738 CD1 TYR A 49 8.195 -0.039 3.570 1.00 0.00 C ATOM 739 CD2 TYR A 49 6.309 -0.501 4.952 1.00 0.00 C ATOM 740 CE1 TYR A 49 8.933 -0.988 4.251 1.00 0.00 C ATOM 741 CE2 TYR A 49 7.039 -1.451 5.639 1.00 0.00 C ATOM 742 CZ TYR A 49 8.350 -1.691 5.284 1.00 0.00 C ATOM 743 OH TYR A 49 9.082 -2.637 5.966 1.00 0.00 O ATOM 0 H TYR A 49 5.168 3.459 4.410 1.00 0.00 H new ATOM 0 HA TYR A 49 7.768 2.570 3.303 1.00 0.00 H new ATOM 0 HB2 TYR A 49 5.065 1.303 3.579 1.00 0.00 H new ATOM 0 HB3 TYR A 49 5.969 0.951 2.119 1.00 0.00 H new ATOM 0 HD1 TYR A 49 8.654 0.510 2.761 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.282 -0.316 5.232 1.00 0.00 H new ATOM 0 HE1 TYR A 49 9.960 -1.178 3.976 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.586 -2.003 6.449 1.00 0.00 H new ATOM 0 HH TYR A 49 8.525 -3.040 6.664 1.00 0.00 H new ATOM 753 N GLY A 50 5.096 3.631 1.650 1.00 0.00 N ATOM 754 CA GLY A 50 4.693 4.331 0.445 1.00 0.00 C ATOM 755 C GLY A 50 3.582 5.330 0.699 1.00 0.00 C ATOM 756 O GLY A 50 2.816 5.190 1.653 1.00 0.00 O ATOM 0 H GLY A 50 4.328 3.343 2.256 1.00 0.00 H new ATOM 0 HA2 GLY A 50 5.555 4.850 0.024 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.363 3.606 -0.299 1.00 0.00 H new ATOM 760 N THR A 51 3.493 6.344 -0.156 1.00 0.00 N ATOM 761 CA THR A 51 2.469 7.373 -0.018 1.00 0.00 C ATOM 762 C THR A 51 1.559 7.410 -1.240 1.00 0.00 C ATOM 763 O THR A 51 2.030 7.474 -2.375 1.00 0.00 O ATOM 764 CB THR A 51 3.096 8.765 0.184 1.00 0.00 C ATOM 765 OG1 THR A 51 3.851 8.791 1.401 1.00 0.00 O ATOM 766 CG2 THR A 51 2.022 9.842 0.225 1.00 0.00 C ATOM 0 H THR A 51 4.118 6.475 -0.952 1.00 0.00 H new ATOM 0 HA THR A 51 1.880 7.117 0.862 1.00 0.00 H new ATOM 0 HB THR A 51 3.758 8.966 -0.658 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.248 9.679 1.521 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.489 10.816 0.369 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.468 9.840 -0.714 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.338 9.643 1.050 1.00 0.00 H new ATOM 774 N GLY A 52 0.252 7.371 -1.001 1.00 0.00 N ATOM 775 CA GLY A 52 -0.704 7.402 -2.092 1.00 0.00 C ATOM 776 C GLY A 52 -1.479 8.703 -2.147 1.00 0.00 C ATOM 777 O GLY A 52 -2.286 8.990 -1.263 1.00 0.00 O ATOM 0 H GLY A 52 -0.162 7.318 -0.070 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.178 7.256 -3.036 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.402 6.571 -1.983 1.00 0.00 H new ATOM 781 N SER A 53 -1.234 9.493 -3.187 1.00 0.00 N ATOM 782 CA SER A 53 -1.911 10.774 -3.351 1.00 0.00 C ATOM 783 C SER A 53 -2.827 10.752 -4.571 1.00 0.00 C ATOM 784 O SER A 53 -2.466 10.227 -5.623 1.00 0.00 O ATOM 785 CB SER A 53 -0.888 11.903 -3.488 1.00 0.00 C ATOM 786 OG SER A 53 0.298 11.605 -2.771 1.00 0.00 O ATOM 0 H SER A 53 -0.571 9.268 -3.929 1.00 0.00 H new ATOM 0 HA SER A 53 -2.519 10.951 -2.464 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.651 12.058 -4.541 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.317 12.834 -3.117 1.00 0.00 H new ATOM 0 HG SER A 53 0.937 12.341 -2.875 1.00 0.00 H new ATOM 792 N GLY A 54 -4.017 11.327 -4.421 1.00 0.00 N ATOM 793 CA GLY A 54 -4.967 11.363 -5.517 1.00 0.00 C ATOM 794 C GLY A 54 -6.052 12.401 -5.310 1.00 0.00 C ATOM 795 O GLY A 54 -5.966 13.226 -4.401 1.00 0.00 O ATOM 0 H GLY A 54 -4.339 11.768 -3.560 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.438 11.576 -6.446 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.425 10.380 -5.629 1.00 0.00 H new ATOM 799 N VAL A 55 -7.076 12.361 -6.157 1.00 0.00 N ATOM 800 CA VAL A 55 -8.182 13.306 -6.064 1.00 0.00 C ATOM 801 C VAL A 55 -9.283 12.775 -5.153 1.00 0.00 C ATOM 802 O VAL A 55 -10.124 13.533 -4.668 1.00 0.00 O ATOM 803 CB VAL A 55 -8.780 13.610 -7.450 1.00 0.00 C ATOM 804 CG1 VAL A 55 -7.753 14.299 -8.336 1.00 0.00 C ATOM 805 CG2 VAL A 55 -9.287 12.332 -8.103 1.00 0.00 C ATOM 0 H VAL A 55 -7.162 11.684 -6.915 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.777 14.226 -5.642 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.625 14.286 -7.321 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.194 14.506 -9.311 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.442 15.235 -7.872 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.886 13.650 -8.460 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.706 12.565 -9.082 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.461 11.631 -8.220 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -10.057 11.884 -7.476 1.00 0.00 H new ATOM 815 N THR A 56 -9.272 11.466 -4.922 1.00 0.00 N ATOM 816 CA THR A 56 -10.270 10.831 -4.070 1.00 0.00 C ATOM 817 C THR A 56 -9.613 9.915 -3.043 1.00 0.00 C ATOM 818 O THR A 56 -8.747 9.108 -3.380 1.00 0.00 O ATOM 819 CB THR A 56 -11.280 10.015 -4.898 1.00 0.00 C ATOM 820 OG1 THR A 56 -11.647 10.741 -6.076 1.00 0.00 O ATOM 821 CG2 THR A 56 -12.523 9.702 -4.080 1.00 0.00 C ATOM 0 H THR A 56 -8.582 10.824 -5.313 1.00 0.00 H new ATOM 0 HA THR A 56 -10.799 11.631 -3.553 1.00 0.00 H new ATOM 0 HB THR A 56 -10.807 9.075 -5.184 1.00 0.00 H new ATOM 0 HG1 THR A 56 -12.288 10.215 -6.598 1.00 0.00 H new ATOM 0 HG21 THR A 56 -13.222 9.125 -4.686 1.00 0.00 H new ATOM 0 HG22 THR A 56 -12.243 9.124 -3.199 1.00 0.00 H new ATOM 0 HG23 THR A 56 -12.997 10.633 -3.767 1.00 0.00 H new ATOM 829 N LYS A 57 -10.031 10.045 -1.789 1.00 0.00 N ATOM 830 CA LYS A 57 -9.486 9.228 -0.711 1.00 0.00 C ATOM 831 C LYS A 57 -9.145 7.827 -1.211 1.00 0.00 C ATOM 832 O LYS A 57 -7.995 7.394 -1.132 1.00 0.00 O ATOM 833 CB LYS A 57 -10.484 9.139 0.445 1.00 0.00 C ATOM 834 CG LYS A 57 -9.827 8.958 1.803 1.00 0.00 C ATOM 835 CD LYS A 57 -9.311 7.541 1.987 1.00 0.00 C ATOM 836 CE LYS A 57 -10.433 6.581 2.352 1.00 0.00 C ATOM 837 NZ LYS A 57 -9.919 5.356 3.025 1.00 0.00 N ATOM 0 H LYS A 57 -10.746 10.709 -1.493 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.571 9.702 -0.356 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.090 10.045 0.462 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.163 8.305 0.265 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -9.002 9.663 1.906 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.545 9.190 2.590 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.829 7.206 1.068 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.551 7.528 2.769 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.143 7.085 3.008 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.977 6.299 1.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.715 4.728 3.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.261 4.861 2.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.422 5.623 3.899 1.00 0.00 H new ATOM 851 N GLN A 58 -10.150 7.126 -1.724 1.00 0.00 N ATOM 852 CA GLN A 58 -9.955 5.775 -2.237 1.00 0.00 C ATOM 853 C GLN A 58 -8.784 5.726 -3.212 1.00 0.00 C ATOM 854 O GLN A 58 -7.845 4.951 -3.031 1.00 0.00 O ATOM 855 CB GLN A 58 -11.228 5.279 -2.925 1.00 0.00 C ATOM 856 CG GLN A 58 -11.235 3.781 -3.185 1.00 0.00 C ATOM 857 CD GLN A 58 -12.626 3.242 -3.455 1.00 0.00 C ATOM 858 OE1 GLN A 58 -13.391 2.973 -2.528 1.00 0.00 O ATOM 859 NE2 GLN A 58 -12.962 3.082 -4.729 1.00 0.00 N ATOM 0 H GLN A 58 -11.107 7.471 -1.796 1.00 0.00 H new ATOM 0 HA GLN A 58 -9.729 5.123 -1.393 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -12.089 5.536 -2.307 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -11.347 5.804 -3.873 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -10.592 3.561 -4.038 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -10.810 3.265 -2.324 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -12.297 3.318 -5.465 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -13.886 2.723 -4.972 1.00 0.00 H new ATOM 868 N GLU A 59 -8.846 6.560 -4.246 1.00 0.00 N ATOM 869 CA GLU A 59 -7.790 6.610 -5.250 1.00 0.00 C ATOM 870 C GLU A 59 -6.418 6.731 -4.592 1.00 0.00 C ATOM 871 O GLU A 59 -5.526 5.920 -4.838 1.00 0.00 O ATOM 872 CB GLU A 59 -8.017 7.787 -6.202 1.00 0.00 C ATOM 873 CG GLU A 59 -6.979 7.884 -7.307 1.00 0.00 C ATOM 874 CD GLU A 59 -7.522 8.541 -8.561 1.00 0.00 C ATOM 875 OE1 GLU A 59 -8.468 9.348 -8.447 1.00 0.00 O ATOM 876 OE2 GLU A 59 -6.999 8.249 -9.658 1.00 0.00 O ATOM 0 H GLU A 59 -9.615 7.209 -4.410 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.820 5.680 -5.819 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -9.006 7.695 -6.651 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -8.012 8.714 -5.628 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.121 8.452 -6.946 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.619 6.884 -7.551 1.00 0.00 H new ATOM 883 N ALA A 60 -6.258 7.750 -3.754 1.00 0.00 N ATOM 884 CA ALA A 60 -4.997 7.978 -3.060 1.00 0.00 C ATOM 885 C ALA A 60 -4.526 6.713 -2.350 1.00 0.00 C ATOM 886 O ALA A 60 -3.468 6.169 -2.667 1.00 0.00 O ATOM 887 CB ALA A 60 -5.141 9.120 -2.065 1.00 0.00 C ATOM 0 H ALA A 60 -6.986 8.431 -3.539 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.246 8.249 -3.802 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.192 9.279 -1.554 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.425 10.030 -2.594 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.909 8.870 -1.333 1.00 0.00 H new ATOM 893 N LYS A 61 -5.317 6.250 -1.388 1.00 0.00 N ATOM 894 CA LYS A 61 -4.982 5.048 -0.633 1.00 0.00 C ATOM 895 C LYS A 61 -4.495 3.940 -1.562 1.00 0.00 C ATOM 896 O LYS A 61 -3.422 3.374 -1.357 1.00 0.00 O ATOM 897 CB LYS A 61 -6.197 4.565 0.162 1.00 0.00 C ATOM 898 CG LYS A 61 -5.886 3.423 1.114 1.00 0.00 C ATOM 899 CD LYS A 61 -7.112 2.565 1.375 1.00 0.00 C ATOM 900 CE LYS A 61 -7.233 1.440 0.359 1.00 0.00 C ATOM 901 NZ LYS A 61 -8.007 1.859 -0.842 1.00 0.00 N ATOM 0 H LYS A 61 -6.195 6.689 -1.112 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.178 5.296 0.060 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.604 5.401 0.731 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.973 4.246 -0.534 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.091 2.806 0.696 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.515 3.825 2.057 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.056 2.145 2.379 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.007 3.187 1.339 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.238 1.117 0.055 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.719 0.582 0.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.401 1.019 -1.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.782 2.489 -0.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.379 2.362 -1.501 1.00 0.00 H new ATOM 915 N GLN A 62 -5.291 3.638 -2.583 1.00 0.00 N ATOM 916 CA GLN A 62 -4.940 2.598 -3.543 1.00 0.00 C ATOM 917 C GLN A 62 -3.466 2.685 -3.924 1.00 0.00 C ATOM 918 O GLN A 62 -2.688 1.769 -3.651 1.00 0.00 O ATOM 919 CB GLN A 62 -5.811 2.715 -4.795 1.00 0.00 C ATOM 920 CG GLN A 62 -7.168 2.044 -4.656 1.00 0.00 C ATOM 921 CD GLN A 62 -7.890 1.909 -5.983 1.00 0.00 C ATOM 922 OE1 GLN A 62 -8.714 2.750 -6.342 1.00 0.00 O ATOM 923 NE2 GLN A 62 -7.584 0.847 -6.718 1.00 0.00 N ATOM 0 H GLN A 62 -6.183 4.098 -2.767 1.00 0.00 H new ATOM 0 HA GLN A 62 -5.119 1.630 -3.074 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.958 3.770 -5.028 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.281 2.273 -5.639 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -7.037 1.056 -4.215 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.786 2.621 -3.967 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.895 0.175 -6.381 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.038 0.703 -7.620 1.00 0.00 H new ATOM 932 N LEU A 63 -3.088 3.790 -4.557 1.00 0.00 N ATOM 933 CA LEU A 63 -1.706 3.996 -4.977 1.00 0.00 C ATOM 934 C LEU A 63 -0.743 3.754 -3.819 1.00 0.00 C ATOM 935 O LEU A 63 0.265 3.066 -3.972 1.00 0.00 O ATOM 936 CB LEU A 63 -1.524 5.415 -5.519 1.00 0.00 C ATOM 937 CG LEU A 63 -2.499 5.846 -6.615 1.00 0.00 C ATOM 938 CD1 LEU A 63 -2.742 7.346 -6.555 1.00 0.00 C ATOM 939 CD2 LEU A 63 -1.973 5.444 -7.985 1.00 0.00 C ATOM 0 H LEU A 63 -3.719 4.557 -4.791 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.481 3.280 -5.767 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.612 6.114 -4.687 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.509 5.507 -5.907 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.449 5.338 -6.449 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.438 7.634 -7.343 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.164 7.608 -5.585 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.798 7.873 -6.695 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.680 5.759 -8.753 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.010 5.923 -8.160 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.852 4.361 -8.025 1.00 0.00 H new ATOM 951 N ALA A 64 -1.063 4.323 -2.662 1.00 0.00 N ATOM 952 CA ALA A 64 -0.229 4.165 -1.477 1.00 0.00 C ATOM 953 C ALA A 64 0.375 2.766 -1.413 1.00 0.00 C ATOM 954 O ALA A 64 1.544 2.599 -1.066 1.00 0.00 O ATOM 955 CB ALA A 64 -1.037 4.451 -0.220 1.00 0.00 C ATOM 0 H ALA A 64 -1.894 4.898 -2.520 1.00 0.00 H new ATOM 0 HA ALA A 64 0.589 4.883 -1.541 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.401 4.329 0.657 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.415 5.473 -0.255 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.875 3.756 -0.160 1.00 0.00 H new ATOM 961 N ALA A 65 -0.430 1.763 -1.749 1.00 0.00 N ATOM 962 CA ALA A 65 0.026 0.379 -1.731 1.00 0.00 C ATOM 963 C ALA A 65 1.099 0.140 -2.788 1.00 0.00 C ATOM 964 O ALA A 65 2.240 -0.194 -2.465 1.00 0.00 O ATOM 965 CB ALA A 65 -1.147 -0.566 -1.945 1.00 0.00 C ATOM 0 H ALA A 65 -1.401 1.883 -2.037 1.00 0.00 H new ATOM 0 HA ALA A 65 0.465 0.180 -0.753 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.792 -1.596 -1.929 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.879 -0.423 -1.151 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.611 -0.357 -2.909 1.00 0.00 H new ATOM 971 N LYS A 66 0.728 0.314 -4.051 1.00 0.00 N ATOM 972 CA LYS A 66 1.659 0.119 -5.157 1.00 0.00 C ATOM 973 C LYS A 66 3.062 0.579 -4.774 1.00 0.00 C ATOM 974 O LYS A 66 4.054 -0.029 -5.174 1.00 0.00 O ATOM 975 CB LYS A 66 1.180 0.881 -6.394 1.00 0.00 C ATOM 976 CG LYS A 66 2.198 0.912 -7.521 1.00 0.00 C ATOM 977 CD LYS A 66 1.892 2.017 -8.518 1.00 0.00 C ATOM 978 CE LYS A 66 3.044 2.224 -9.491 1.00 0.00 C ATOM 979 NZ LYS A 66 2.804 3.383 -10.395 1.00 0.00 N ATOM 0 H LYS A 66 -0.212 0.590 -4.335 1.00 0.00 H new ATOM 0 HA LYS A 66 1.695 -0.946 -5.386 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.260 0.423 -6.759 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.935 1.904 -6.108 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.196 1.060 -7.107 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.205 -0.050 -8.033 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.987 1.769 -9.072 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.694 2.946 -7.984 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.967 2.383 -8.933 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.183 1.322 -10.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.611 3.491 -11.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.937 3.220 -10.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.696 4.249 -9.829 1.00 0.00 H new ATOM 993 N GLU A 67 3.136 1.655 -3.998 1.00 0.00 N ATOM 994 CA GLU A 67 4.418 2.196 -3.562 1.00 0.00 C ATOM 995 C GLU A 67 5.011 1.350 -2.438 1.00 0.00 C ATOM 996 O GLU A 67 6.171 0.945 -2.499 1.00 0.00 O ATOM 997 CB GLU A 67 4.254 3.643 -3.094 1.00 0.00 C ATOM 998 CG GLU A 67 3.996 4.623 -4.226 1.00 0.00 C ATOM 999 CD GLU A 67 5.243 4.922 -5.035 1.00 0.00 C ATOM 1000 OE1 GLU A 67 5.653 4.054 -5.834 1.00 0.00 O ATOM 1001 OE2 GLU A 67 5.809 6.023 -4.869 1.00 0.00 O ATOM 0 H GLU A 67 2.323 2.170 -3.658 1.00 0.00 H new ATOM 0 HA GLU A 67 5.101 2.172 -4.411 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.428 3.695 -2.384 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.154 3.947 -2.559 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.229 4.217 -4.885 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.603 5.553 -3.814 1.00 0.00 H new ATOM 1008 N ALA A 68 4.205 1.089 -1.414 1.00 0.00 N ATOM 1009 CA ALA A 68 4.648 0.291 -0.278 1.00 0.00 C ATOM 1010 C ALA A 68 5.143 -1.079 -0.728 1.00 0.00 C ATOM 1011 O ALA A 68 6.219 -1.524 -0.328 1.00 0.00 O ATOM 1012 CB ALA A 68 3.521 0.141 0.733 1.00 0.00 C ATOM 0 H ALA A 68 3.242 1.419 -1.348 1.00 0.00 H new ATOM 0 HA ALA A 68 5.480 0.811 0.196 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.866 -0.457 1.576 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.217 1.126 1.087 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.672 -0.353 0.261 1.00 0.00 H new ATOM 1018 N TYR A 69 4.351 -1.744 -1.562 1.00 0.00 N ATOM 1019 CA TYR A 69 4.708 -3.065 -2.065 1.00 0.00 C ATOM 1020 C TYR A 69 6.162 -3.100 -2.524 1.00 0.00 C ATOM 1021 O TYR A 69 6.945 -3.938 -2.077 1.00 0.00 O ATOM 1022 CB TYR A 69 3.787 -3.460 -3.221 1.00 0.00 C ATOM 1023 CG TYR A 69 3.941 -4.900 -3.653 1.00 0.00 C ATOM 1024 CD1 TYR A 69 3.414 -5.935 -2.889 1.00 0.00 C ATOM 1025 CD2 TYR A 69 4.612 -5.228 -4.824 1.00 0.00 C ATOM 1026 CE1 TYR A 69 3.553 -7.253 -3.279 1.00 0.00 C ATOM 1027 CE2 TYR A 69 4.754 -6.543 -5.223 1.00 0.00 C ATOM 1028 CZ TYR A 69 4.223 -7.552 -4.447 1.00 0.00 C ATOM 1029 OH TYR A 69 4.363 -8.863 -4.839 1.00 0.00 O ATOM 0 H TYR A 69 3.458 -1.390 -1.904 1.00 0.00 H new ATOM 0 HA TYR A 69 4.586 -3.780 -1.251 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.752 -3.287 -2.925 1.00 0.00 H new ATOM 0 HB3 TYR A 69 3.988 -2.810 -4.073 1.00 0.00 H new ATOM 0 HD1 TYR A 69 2.887 -5.705 -1.975 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.030 -4.441 -5.434 1.00 0.00 H new ATOM 0 HE1 TYR A 69 3.139 -8.045 -2.673 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.278 -6.780 -6.137 1.00 0.00 H new ATOM 0 HH TYR A 69 4.859 -8.901 -5.684 1.00 0.00 H new ATOM 1039 N GLN A 70 6.516 -2.182 -3.417 1.00 0.00 N ATOM 1040 CA GLN A 70 7.876 -2.106 -3.937 1.00 0.00 C ATOM 1041 C GLN A 70 8.885 -1.961 -2.803 1.00 0.00 C ATOM 1042 O GLN A 70 9.708 -2.847 -2.572 1.00 0.00 O ATOM 1043 CB GLN A 70 8.010 -0.931 -4.907 1.00 0.00 C ATOM 1044 CG GLN A 70 7.015 -0.975 -6.056 1.00 0.00 C ATOM 1045 CD GLN A 70 7.143 -2.232 -6.892 1.00 0.00 C ATOM 1046 OE1 GLN A 70 8.117 -2.976 -6.771 1.00 0.00 O ATOM 1047 NE2 GLN A 70 6.157 -2.478 -7.747 1.00 0.00 N ATOM 0 H GLN A 70 5.880 -1.480 -3.796 1.00 0.00 H new ATOM 0 HA GLN A 70 8.086 -3.033 -4.470 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.877 0.001 -4.357 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.021 -0.919 -5.313 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.003 -0.910 -5.657 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.163 -0.103 -6.693 1.00 0.00 H new ATOM 0 HE21 GLN A 70 5.368 -1.835 -7.815 1.00 0.00 H new ATOM 0 HE22 GLN A 70 6.188 -3.310 -8.336 1.00 0.00 H new ATOM 1056 N LYS A 71 8.816 -0.838 -2.096 1.00 0.00 N ATOM 1057 CA LYS A 71 9.723 -0.576 -0.984 1.00 0.00 C ATOM 1058 C LYS A 71 9.977 -1.846 -0.179 1.00 0.00 C ATOM 1059 O LYS A 71 11.100 -2.103 0.257 1.00 0.00 O ATOM 1060 CB LYS A 71 9.146 0.511 -0.075 1.00 0.00 C ATOM 1061 CG LYS A 71 9.559 1.918 -0.470 1.00 0.00 C ATOM 1062 CD LYS A 71 11.000 2.205 -0.082 1.00 0.00 C ATOM 1063 CE LYS A 71 11.411 3.617 -0.470 1.00 0.00 C ATOM 1064 NZ LYS A 71 12.886 3.805 -0.399 1.00 0.00 N ATOM 0 H LYS A 71 8.141 -0.094 -2.273 1.00 0.00 H new ATOM 0 HA LYS A 71 10.672 -0.232 -1.394 1.00 0.00 H new ATOM 0 HB2 LYS A 71 8.058 0.444 -0.088 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.465 0.322 0.950 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.439 2.045 -1.546 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.900 2.641 0.012 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.122 2.072 0.993 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.659 1.486 -0.569 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.066 3.830 -1.482 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.922 4.332 0.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.125 4.780 -0.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.212 3.626 0.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.352 3.140 -1.049 1.00 0.00 H new ATOM 1078 N LEU A 72 8.928 -2.638 0.015 1.00 0.00 N ATOM 1079 CA LEU A 72 9.038 -3.883 0.767 1.00 0.00 C ATOM 1080 C LEU A 72 9.932 -4.882 0.040 1.00 0.00 C ATOM 1081 O LEU A 72 10.759 -5.556 0.656 1.00 0.00 O ATOM 1082 CB LEU A 72 7.652 -4.491 0.991 1.00 0.00 C ATOM 1083 CG LEU A 72 6.928 -4.058 2.266 1.00 0.00 C ATOM 1084 CD1 LEU A 72 5.445 -4.386 2.175 1.00 0.00 C ATOM 1085 CD2 LEU A 72 7.549 -4.723 3.485 1.00 0.00 C ATOM 0 H LEU A 72 7.992 -2.440 -0.338 1.00 0.00 H new ATOM 0 HA LEU A 72 9.489 -3.656 1.733 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.024 -4.238 0.137 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.751 -5.576 1.004 1.00 0.00 H new ATOM 0 HG LEU A 72 7.035 -2.979 2.373 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.946 -4.071 3.091 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.008 -3.862 1.325 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.317 -5.460 2.044 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.021 -4.403 4.383 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.474 -5.806 3.387 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.598 -4.437 3.560 1.00 0.00 H new ATOM 1097 N LEU A 73 9.763 -4.971 -1.275 1.00 0.00 N ATOM 1098 CA LEU A 73 10.557 -5.885 -2.088 1.00 0.00 C ATOM 1099 C LEU A 73 12.038 -5.528 -2.022 1.00 0.00 C ATOM 1100 O LEU A 73 12.903 -6.400 -2.108 1.00 0.00 O ATOM 1101 CB LEU A 73 10.078 -5.855 -3.541 1.00 0.00 C ATOM 1102 CG LEU A 73 8.614 -6.232 -3.773 1.00 0.00 C ATOM 1103 CD1 LEU A 73 8.239 -6.043 -5.235 1.00 0.00 C ATOM 1104 CD2 LEU A 73 8.357 -7.666 -3.336 1.00 0.00 C ATOM 0 H LEU A 73 9.083 -4.421 -1.801 1.00 0.00 H new ATOM 0 HA LEU A 73 10.427 -6.891 -1.689 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.241 -4.852 -3.936 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.703 -6.532 -4.123 1.00 0.00 H new ATOM 0 HG LEU A 73 7.989 -5.572 -3.171 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.194 -6.316 -5.381 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.384 -5.000 -5.516 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.870 -6.677 -5.857 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.310 -7.917 -3.508 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.991 -8.341 -3.911 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.585 -7.769 -2.275 1.00 0.00 H new ATOM 1116 N LYS A 74 12.324 -4.240 -1.867 1.00 0.00 N ATOM 1117 CA LYS A 74 13.701 -3.765 -1.785 1.00 0.00 C ATOM 1118 C LYS A 74 14.271 -3.988 -0.388 1.00 0.00 C ATOM 1119 O LYS A 74 15.198 -4.776 -0.204 1.00 0.00 O ATOM 1120 CB LYS A 74 13.772 -2.280 -2.146 1.00 0.00 C ATOM 1121 CG LYS A 74 13.603 -2.005 -3.630 1.00 0.00 C ATOM 1122 CD LYS A 74 14.938 -2.016 -4.355 1.00 0.00 C ATOM 1123 CE LYS A 74 15.651 -0.678 -4.229 1.00 0.00 C ATOM 1124 NZ LYS A 74 16.754 -0.542 -5.220 1.00 0.00 N ATOM 0 H LYS A 74 11.620 -3.505 -1.796 1.00 0.00 H new ATOM 0 HA LYS A 74 14.299 -4.334 -2.497 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.999 -1.744 -1.596 1.00 0.00 H new ATOM 0 HB3 LYS A 74 14.732 -1.881 -1.818 1.00 0.00 H new ATOM 0 HG2 LYS A 74 12.944 -2.755 -4.067 1.00 0.00 H new ATOM 0 HG3 LYS A 74 13.120 -1.038 -3.769 1.00 0.00 H new ATOM 0 HD2 LYS A 74 15.569 -2.806 -3.947 1.00 0.00 H new ATOM 0 HD3 LYS A 74 14.780 -2.247 -5.408 1.00 0.00 H new ATOM 0 HE2 LYS A 74 14.934 0.130 -4.371 1.00 0.00 H new ATOM 0 HE3 LYS A 74 16.053 -0.574 -3.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 17.215 0.383 -5.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 17.452 -1.298 -5.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 16.367 -0.615 -6.182 1.00 0.00 H new