USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 786 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 LYS NZ :NH3+ 157:sc= -0.0345 (180deg=-0.268) USER MOD Single : A 7 LYS NZ :NH3+ -156:sc= -0.321 (180deg=-1.22!) USER MOD Single : A 12 THR OG1 : rot -150:sc= -2.27 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 166:sc= -3.34! (180deg=-5.25!) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= 0.0157 X(o=0.016,f=0) USER MOD Single : A 40 GLN : amide:sc= -8.19! C(o=-8.2!,f=-13!) USER MOD Single : A 52 THR OG1 : rot -50:sc= -0.802 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 MET CE :methyl 138:sc= -0.287 (180deg=-1.49) USER MOD Single : A 89 LYS NZ :NH3+ -164:sc= -2.47 (180deg=-3.37) USER MOD Single : A 93 SER OG : rot -40:sc= -0.216 USER MOD Single : A 94 HIS : no HD1:sc= -4.73! K(o=-4.7!,f=-3.9) USER MOD Single : A 102 HIS : no HD1:sc= -2.37 K(o=-2.4,f=-0.46) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N LYS A 6 185.303 -9.036 2.561 1.00 0.00 N ATOM 81 CA LYS A 6 185.307 -8.087 1.453 1.00 0.00 C ATOM 82 C LYS A 6 184.023 -7.263 1.431 1.00 0.00 C ATOM 83 O LYS A 6 182.934 -7.786 1.665 1.00 0.00 O ATOM 84 CB LYS A 6 185.477 -8.828 0.124 1.00 0.00 C ATOM 85 CG LYS A 6 186.606 -8.283 -0.736 1.00 0.00 C ATOM 86 CD LYS A 6 186.137 -7.127 -1.604 1.00 0.00 C ATOM 87 CE LYS A 6 186.759 -7.182 -2.990 1.00 0.00 C ATOM 88 NZ LYS A 6 186.264 -8.347 -3.775 1.00 0.00 N ATOM 0 HA LYS A 6 186.147 -7.406 1.594 1.00 0.00 H new ATOM 0 HB2 LYS A 6 185.662 -9.883 0.327 1.00 0.00 H new ATOM 0 HB3 LYS A 6 184.544 -8.770 -0.437 1.00 0.00 H new ATOM 0 HG2 LYS A 6 187.424 -7.951 -0.097 1.00 0.00 H new ATOM 0 HG3 LYS A 6 186.999 -9.079 -1.369 1.00 0.00 H new ATOM 0 HD2 LYS A 6 185.051 -7.153 -1.690 1.00 0.00 H new ATOM 0 HD3 LYS A 6 186.396 -6.183 -1.125 1.00 0.00 H new ATOM 0 HE2 LYS A 6 186.533 -6.260 -3.526 1.00 0.00 H new ATOM 0 HE3 LYS A 6 187.844 -7.240 -2.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 186.381 -8.156 -4.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 186.808 -9.195 -3.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 185.258 -8.504 -3.566 1.00 0.00 H new ATOM 102 N LYS A 7 184.161 -5.973 1.144 1.00 0.00 N ATOM 103 CA LYS A 7 183.013 -5.075 1.087 1.00 0.00 C ATOM 104 C LYS A 7 182.453 -5.004 -0.330 1.00 0.00 C ATOM 105 O LYS A 7 182.946 -5.676 -1.236 1.00 0.00 O ATOM 106 CB LYS A 7 183.410 -3.679 1.561 1.00 0.00 C ATOM 107 CG LYS A 7 184.457 -3.017 0.684 1.00 0.00 C ATOM 108 CD LYS A 7 184.018 -1.631 0.244 1.00 0.00 C ATOM 109 CE LYS A 7 185.196 -0.799 -0.236 1.00 0.00 C ATOM 110 NZ LYS A 7 186.323 -0.818 0.737 1.00 0.00 N ATOM 0 H LYS A 7 185.056 -5.526 0.947 1.00 0.00 H new ATOM 0 HA LYS A 7 182.239 -5.468 1.746 1.00 0.00 H new ATOM 0 HB2 LYS A 7 182.522 -3.048 1.592 1.00 0.00 H new ATOM 0 HB3 LYS A 7 183.790 -3.744 2.580 1.00 0.00 H new ATOM 0 HG2 LYS A 7 185.398 -2.946 1.229 1.00 0.00 H new ATOM 0 HG3 LYS A 7 184.643 -3.637 -0.193 1.00 0.00 H new ATOM 0 HD2 LYS A 7 183.283 -1.718 -0.556 1.00 0.00 H new ATOM 0 HD3 LYS A 7 183.527 -1.123 1.074 1.00 0.00 H new ATOM 0 HE2 LYS A 7 185.541 -1.179 -1.198 1.00 0.00 H new ATOM 0 HE3 LYS A 7 184.872 0.229 -0.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 186.909 0.031 0.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 185.945 -0.832 1.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 186.903 -1.667 0.580 1.00 0.00 H new ATOM 124 N LEU A 8 181.420 -4.189 -0.517 1.00 0.00 N ATOM 125 CA LEU A 8 180.796 -4.035 -1.827 1.00 0.00 C ATOM 126 C LEU A 8 181.043 -2.636 -2.384 1.00 0.00 C ATOM 127 O LEU A 8 181.065 -1.656 -1.640 1.00 0.00 O ATOM 128 CB LEU A 8 179.291 -4.305 -1.730 1.00 0.00 C ATOM 129 CG LEU A 8 178.825 -5.612 -2.372 1.00 0.00 C ATOM 130 CD1 LEU A 8 177.403 -5.939 -1.943 1.00 0.00 C ATOM 131 CD2 LEU A 8 178.919 -5.524 -3.887 1.00 0.00 C ATOM 0 H LEU A 8 180.997 -3.625 0.221 1.00 0.00 H new ATOM 0 HA LEU A 8 181.244 -4.759 -2.507 1.00 0.00 H new ATOM 0 HB2 LEU A 8 179.006 -4.313 -0.678 1.00 0.00 H new ATOM 0 HB3 LEU A 8 178.758 -3.478 -2.198 1.00 0.00 H new ATOM 0 HG LEU A 8 179.479 -6.415 -2.033 1.00 0.00 H new ATOM 0 HD11 LEU A 8 177.088 -6.872 -2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 8 177.365 -6.044 -0.859 1.00 0.00 H new ATOM 0 HD13 LEU A 8 176.735 -5.135 -2.253 1.00 0.00 H new ATOM 0 HD21 LEU A 8 178.583 -6.463 -4.328 1.00 0.00 H new ATOM 0 HD22 LEU A 8 178.288 -4.710 -4.244 1.00 0.00 H new ATOM 0 HD23 LEU A 8 179.953 -5.336 -4.177 1.00 0.00 H new ATOM 143 N ASP A 9 181.227 -2.551 -3.698 1.00 0.00 N ATOM 144 CA ASP A 9 181.471 -1.272 -4.354 1.00 0.00 C ATOM 145 C ASP A 9 180.261 -0.350 -4.214 1.00 0.00 C ATOM 146 O ASP A 9 179.123 -0.814 -4.139 1.00 0.00 O ATOM 147 CB ASP A 9 181.801 -1.489 -5.833 1.00 0.00 C ATOM 148 CG ASP A 9 183.207 -1.045 -6.184 1.00 0.00 C ATOM 149 OD1 ASP A 9 184.134 -1.876 -6.085 1.00 0.00 O ATOM 150 OD2 ASP A 9 183.382 0.134 -6.559 1.00 0.00 O ATOM 0 H ASP A 9 181.212 -3.352 -4.329 1.00 0.00 H new ATOM 0 HA ASP A 9 182.323 -0.796 -3.868 1.00 0.00 H new ATOM 0 HB2 ASP A 9 181.685 -2.545 -6.077 1.00 0.00 H new ATOM 0 HB3 ASP A 9 181.086 -0.940 -6.446 1.00 0.00 H new ATOM 155 N PRO A 10 180.493 0.973 -4.178 1.00 0.00 N ATOM 156 CA PRO A 10 179.416 1.960 -4.045 1.00 0.00 C ATOM 157 C PRO A 10 178.310 1.757 -5.076 1.00 0.00 C ATOM 158 O PRO A 10 177.134 1.653 -4.727 1.00 0.00 O ATOM 159 CB PRO A 10 180.126 3.295 -4.281 1.00 0.00 C ATOM 160 CG PRO A 10 181.543 3.043 -3.899 1.00 0.00 C ATOM 161 CD PRO A 10 181.820 1.610 -4.261 1.00 0.00 C ATOM 0 HA PRO A 10 178.919 1.890 -3.078 1.00 0.00 H new ATOM 0 HB2 PRO A 10 180.046 3.607 -5.322 1.00 0.00 H new ATOM 0 HB3 PRO A 10 179.688 4.089 -3.676 1.00 0.00 H new ATOM 0 HG2 PRO A 10 182.216 3.717 -4.429 1.00 0.00 H new ATOM 0 HG3 PRO A 10 181.696 3.213 -2.833 1.00 0.00 H new ATOM 0 HD2 PRO A 10 182.245 1.523 -5.261 1.00 0.00 H new ATOM 0 HD3 PRO A 10 182.529 1.152 -3.572 1.00 0.00 H new ATOM 169 N ASP A 11 178.695 1.703 -6.347 1.00 0.00 N ATOM 170 CA ASP A 11 177.736 1.514 -7.429 1.00 0.00 C ATOM 171 C ASP A 11 177.182 0.093 -7.427 1.00 0.00 C ATOM 172 O ASP A 11 176.023 -0.132 -7.776 1.00 0.00 O ATOM 173 CB ASP A 11 178.391 1.816 -8.778 1.00 0.00 C ATOM 174 CG ASP A 11 178.218 3.264 -9.193 1.00 0.00 C ATOM 175 OD1 ASP A 11 178.752 4.150 -8.494 1.00 0.00 O ATOM 176 OD2 ASP A 11 177.549 3.511 -10.218 1.00 0.00 O ATOM 0 H ASP A 11 179.664 1.787 -6.653 1.00 0.00 H new ATOM 0 HA ASP A 11 176.909 2.206 -7.270 1.00 0.00 H new ATOM 0 HB2 ASP A 11 179.454 1.581 -8.723 1.00 0.00 H new ATOM 0 HB3 ASP A 11 177.960 1.168 -9.541 1.00 0.00 H new ATOM 181 N THR A 12 178.017 -0.863 -7.033 1.00 0.00 N ATOM 182 CA THR A 12 177.610 -2.262 -6.987 1.00 0.00 C ATOM 183 C THR A 12 176.521 -2.481 -5.941 1.00 0.00 C ATOM 184 O THR A 12 175.468 -3.046 -6.238 1.00 0.00 O ATOM 185 CB THR A 12 178.814 -3.156 -6.685 1.00 0.00 C ATOM 186 OG1 THR A 12 179.947 -2.735 -7.423 1.00 0.00 O ATOM 187 CG2 THR A 12 178.572 -4.614 -7.008 1.00 0.00 C ATOM 0 H THR A 12 178.980 -0.694 -6.741 1.00 0.00 H new ATOM 0 HA THR A 12 177.206 -2.528 -7.964 1.00 0.00 H new ATOM 0 HB THR A 12 178.983 -3.062 -5.612 1.00 0.00 H new ATOM 0 HG1 THR A 12 180.520 -3.507 -7.612 1.00 0.00 H new ATOM 0 HG21 THR A 12 179.465 -5.192 -6.771 1.00 0.00 H new ATOM 0 HG22 THR A 12 177.733 -4.983 -6.418 1.00 0.00 H new ATOM 0 HG23 THR A 12 178.343 -4.719 -8.069 1.00 0.00 H new ATOM 195 N ALA A 13 176.780 -2.030 -4.717 1.00 0.00 N ATOM 196 CA ALA A 13 175.819 -2.177 -3.630 1.00 0.00 C ATOM 197 C ALA A 13 174.505 -1.479 -3.963 1.00 0.00 C ATOM 198 O ALA A 13 173.427 -2.053 -3.808 1.00 0.00 O ATOM 199 CB ALA A 13 176.399 -1.626 -2.337 1.00 0.00 C ATOM 0 H ALA A 13 177.646 -1.560 -4.454 1.00 0.00 H new ATOM 0 HA ALA A 13 175.613 -3.239 -3.499 1.00 0.00 H new ATOM 0 HB1 ALA A 13 175.672 -1.742 -1.534 1.00 0.00 H new ATOM 0 HB2 ALA A 13 177.308 -2.171 -2.085 1.00 0.00 H new ATOM 0 HB3 ALA A 13 176.633 -0.569 -2.465 1.00 0.00 H new ATOM 205 N ILE A 14 174.603 -0.237 -4.426 1.00 0.00 N ATOM 206 CA ILE A 14 173.425 0.541 -4.787 1.00 0.00 C ATOM 207 C ILE A 14 172.645 -0.142 -5.908 1.00 0.00 C ATOM 208 O ILE A 14 171.415 -0.179 -5.892 1.00 0.00 O ATOM 209 CB ILE A 14 173.814 1.968 -5.230 1.00 0.00 C ATOM 210 CG1 ILE A 14 174.468 2.722 -4.070 1.00 0.00 C ATOM 211 CG2 ILE A 14 172.597 2.725 -5.741 1.00 0.00 C ATOM 212 CD1 ILE A 14 175.126 4.020 -4.487 1.00 0.00 C ATOM 0 H ILE A 14 175.488 0.252 -4.560 1.00 0.00 H new ATOM 0 HA ILE A 14 172.795 0.606 -3.900 1.00 0.00 H new ATOM 0 HB ILE A 14 174.533 1.892 -6.046 1.00 0.00 H new ATOM 0 HG12 ILE A 14 173.713 2.934 -3.313 1.00 0.00 H new ATOM 0 HG13 ILE A 14 175.215 2.079 -3.604 1.00 0.00 H new ATOM 0 HG21 ILE A 14 172.895 3.728 -6.048 1.00 0.00 H new ATOM 0 HG22 ILE A 14 172.171 2.196 -6.594 1.00 0.00 H new ATOM 0 HG23 ILE A 14 171.852 2.794 -4.948 1.00 0.00 H new ATOM 0 HD11 ILE A 14 175.569 4.500 -3.614 1.00 0.00 H new ATOM 0 HD12 ILE A 14 175.905 3.814 -5.221 1.00 0.00 H new ATOM 0 HD13 ILE A 14 174.379 4.682 -4.926 1.00 0.00 H new ATOM 224 N ASP A 15 173.374 -0.684 -6.876 1.00 0.00 N ATOM 225 CA ASP A 15 172.761 -1.371 -8.007 1.00 0.00 C ATOM 226 C ASP A 15 171.863 -2.510 -7.531 1.00 0.00 C ATOM 227 O ASP A 15 170.680 -2.566 -7.870 1.00 0.00 O ATOM 228 CB ASP A 15 173.839 -1.914 -8.947 1.00 0.00 C ATOM 229 CG ASP A 15 173.267 -2.403 -10.263 1.00 0.00 C ATOM 230 OD1 ASP A 15 172.570 -1.616 -10.937 1.00 0.00 O ATOM 231 OD2 ASP A 15 173.516 -3.574 -10.619 1.00 0.00 O ATOM 0 H ASP A 15 174.393 -0.661 -6.901 1.00 0.00 H new ATOM 0 HA ASP A 15 172.147 -0.651 -8.548 1.00 0.00 H new ATOM 0 HB2 ASP A 15 174.574 -1.133 -9.142 1.00 0.00 H new ATOM 0 HB3 ASP A 15 174.366 -2.733 -8.457 1.00 0.00 H new ATOM 236 N ILE A 16 172.433 -3.416 -6.743 1.00 0.00 N ATOM 237 CA ILE A 16 171.687 -4.555 -6.219 1.00 0.00 C ATOM 238 C ILE A 16 170.488 -4.098 -5.395 1.00 0.00 C ATOM 239 O ILE A 16 169.357 -4.515 -5.641 1.00 0.00 O ATOM 240 CB ILE A 16 172.578 -5.461 -5.347 1.00 0.00 C ATOM 241 CG1 ILE A 16 173.876 -5.802 -6.082 1.00 0.00 C ATOM 242 CG2 ILE A 16 171.831 -6.731 -4.968 1.00 0.00 C ATOM 243 CD1 ILE A 16 175.117 -5.611 -5.237 1.00 0.00 C ATOM 0 H ILE A 16 173.410 -3.384 -6.453 1.00 0.00 H new ATOM 0 HA ILE A 16 171.337 -5.123 -7.081 1.00 0.00 H new ATOM 0 HB ILE A 16 172.831 -4.923 -4.434 1.00 0.00 H new ATOM 0 HG12 ILE A 16 173.832 -6.838 -6.419 1.00 0.00 H new ATOM 0 HG13 ILE A 16 173.954 -5.179 -6.973 1.00 0.00 H new ATOM 0 HG21 ILE A 16 172.473 -7.361 -4.352 1.00 0.00 H new ATOM 0 HG22 ILE A 16 170.933 -6.471 -4.408 1.00 0.00 H new ATOM 0 HG23 ILE A 16 171.551 -7.272 -5.872 1.00 0.00 H new ATOM 0 HD11 ILE A 16 175.999 -5.871 -5.822 1.00 0.00 H new ATOM 0 HD12 ILE A 16 175.185 -4.570 -4.921 1.00 0.00 H new ATOM 0 HD13 ILE A 16 175.062 -6.254 -4.359 1.00 0.00 H new ATOM 255 N ALA A 17 170.744 -3.238 -4.414 1.00 0.00 N ATOM 256 CA ALA A 17 169.685 -2.725 -3.552 1.00 0.00 C ATOM 257 C ALA A 17 168.597 -2.036 -4.369 1.00 0.00 C ATOM 258 O ALA A 17 167.408 -2.185 -4.088 1.00 0.00 O ATOM 259 CB ALA A 17 170.257 -1.768 -2.520 1.00 0.00 C ATOM 0 H ALA A 17 171.675 -2.882 -4.196 1.00 0.00 H new ATOM 0 HA ALA A 17 169.234 -3.571 -3.034 1.00 0.00 H new ATOM 0 HB1 ALA A 17 169.453 -1.395 -1.885 1.00 0.00 H new ATOM 0 HB2 ALA A 17 170.991 -2.291 -1.907 1.00 0.00 H new ATOM 0 HB3 ALA A 17 170.738 -0.931 -3.027 1.00 0.00 H new ATOM 265 N TYR A 18 169.012 -1.282 -5.383 1.00 0.00 N ATOM 266 CA TYR A 18 168.071 -0.572 -6.242 1.00 0.00 C ATOM 267 C TYR A 18 167.036 -1.531 -6.819 1.00 0.00 C ATOM 268 O TYR A 18 165.833 -1.273 -6.759 1.00 0.00 O ATOM 269 CB TYR A 18 168.817 0.136 -7.375 1.00 0.00 C ATOM 270 CG TYR A 18 167.925 0.993 -8.245 1.00 0.00 C ATOM 271 CD1 TYR A 18 167.691 2.326 -7.932 1.00 0.00 C ATOM 272 CD2 TYR A 18 167.319 0.469 -9.379 1.00 0.00 C ATOM 273 CE1 TYR A 18 166.877 3.113 -8.725 1.00 0.00 C ATOM 274 CE2 TYR A 18 166.504 1.249 -10.178 1.00 0.00 C ATOM 275 CZ TYR A 18 166.286 2.570 -9.846 1.00 0.00 C ATOM 276 OH TYR A 18 165.475 3.350 -10.638 1.00 0.00 O ATOM 0 H TYR A 18 169.993 -1.147 -5.629 1.00 0.00 H new ATOM 0 HA TYR A 18 167.554 0.173 -5.638 1.00 0.00 H new ATOM 0 HB2 TYR A 18 169.602 0.760 -6.948 1.00 0.00 H new ATOM 0 HB3 TYR A 18 169.308 -0.611 -7.998 1.00 0.00 H new ATOM 0 HD1 TYR A 18 168.153 2.755 -7.055 1.00 0.00 H new ATOM 0 HD2 TYR A 18 167.487 -0.565 -9.641 1.00 0.00 H new ATOM 0 HE1 TYR A 18 166.705 4.148 -8.468 1.00 0.00 H new ATOM 0 HE2 TYR A 18 166.041 0.826 -11.057 1.00 0.00 H new ATOM 0 HH TYR A 18 165.139 2.816 -11.388 1.00 0.00 H new ATOM 286 N ASP A 19 167.511 -2.642 -7.373 1.00 0.00 N ATOM 287 CA ASP A 19 166.627 -3.643 -7.955 1.00 0.00 C ATOM 288 C ASP A 19 165.730 -4.257 -6.884 1.00 0.00 C ATOM 289 O ASP A 19 164.599 -4.657 -7.162 1.00 0.00 O ATOM 290 CB ASP A 19 167.443 -4.737 -8.645 1.00 0.00 C ATOM 291 CG ASP A 19 166.804 -5.205 -9.938 1.00 0.00 C ATOM 292 OD1 ASP A 19 165.754 -5.878 -9.872 1.00 0.00 O ATOM 293 OD2 ASP A 19 167.353 -4.897 -11.017 1.00 0.00 O ATOM 0 H ASP A 19 168.503 -2.871 -7.431 1.00 0.00 H new ATOM 0 HA ASP A 19 165.997 -3.152 -8.696 1.00 0.00 H new ATOM 0 HB2 ASP A 19 168.445 -4.363 -8.853 1.00 0.00 H new ATOM 0 HB3 ASP A 19 167.553 -5.585 -7.969 1.00 0.00 H new ATOM 298 N ILE A 20 166.243 -4.328 -5.659 1.00 0.00 N ATOM 299 CA ILE A 20 165.488 -4.891 -4.547 1.00 0.00 C ATOM 300 C ILE A 20 164.375 -3.950 -4.106 1.00 0.00 C ATOM 301 O ILE A 20 163.350 -4.393 -3.597 1.00 0.00 O ATOM 302 CB ILE A 20 166.398 -5.198 -3.340 1.00 0.00 C ATOM 303 CG1 ILE A 20 167.537 -6.129 -3.758 1.00 0.00 C ATOM 304 CG2 ILE A 20 165.591 -5.817 -2.205 1.00 0.00 C ATOM 305 CD1 ILE A 20 168.770 -6.004 -2.890 1.00 0.00 C ATOM 0 H ILE A 20 167.178 -4.003 -5.413 1.00 0.00 H new ATOM 0 HA ILE A 20 165.051 -5.823 -4.905 1.00 0.00 H new ATOM 0 HB ILE A 20 166.828 -4.262 -2.983 1.00 0.00 H new ATOM 0 HG12 ILE A 20 167.183 -7.159 -3.726 1.00 0.00 H new ATOM 0 HG13 ILE A 20 167.808 -5.917 -4.792 1.00 0.00 H new ATOM 0 HG21 ILE A 20 166.250 -6.027 -1.362 1.00 0.00 H new ATOM 0 HG22 ILE A 20 164.811 -5.123 -1.892 1.00 0.00 H new ATOM 0 HG23 ILE A 20 165.134 -6.745 -2.548 1.00 0.00 H new ATOM 0 HD11 ILE A 20 169.536 -6.693 -3.245 1.00 0.00 H new ATOM 0 HD12 ILE A 20 169.149 -4.983 -2.941 1.00 0.00 H new ATOM 0 HD13 ILE A 20 168.515 -6.245 -1.858 1.00 0.00 H new ATOM 317 N PHE A 21 164.571 -2.655 -4.317 1.00 0.00 N ATOM 318 CA PHE A 21 163.567 -1.666 -3.948 1.00 0.00 C ATOM 319 C PHE A 21 162.433 -1.655 -4.970 1.00 0.00 C ATOM 320 O PHE A 21 161.294 -1.317 -4.649 1.00 0.00 O ATOM 321 CB PHE A 21 164.211 -0.279 -3.853 1.00 0.00 C ATOM 322 CG PHE A 21 163.230 0.842 -3.654 1.00 0.00 C ATOM 323 CD1 PHE A 21 162.287 0.785 -2.641 1.00 0.00 C ATOM 324 CD2 PHE A 21 163.255 1.953 -4.481 1.00 0.00 C ATOM 325 CE1 PHE A 21 161.386 1.818 -2.457 1.00 0.00 C ATOM 326 CE2 PHE A 21 162.358 2.988 -4.301 1.00 0.00 C ATOM 327 CZ PHE A 21 161.422 2.920 -3.288 1.00 0.00 C ATOM 0 H PHE A 21 165.413 -2.266 -4.740 1.00 0.00 H new ATOM 0 HA PHE A 21 163.153 -1.930 -2.975 1.00 0.00 H new ATOM 0 HB2 PHE A 21 164.922 -0.276 -3.026 1.00 0.00 H new ATOM 0 HB3 PHE A 21 164.780 -0.092 -4.763 1.00 0.00 H new ATOM 0 HD1 PHE A 21 162.255 -0.075 -1.988 1.00 0.00 H new ATOM 0 HD2 PHE A 21 163.984 2.011 -5.276 1.00 0.00 H new ATOM 0 HE1 PHE A 21 160.655 1.763 -1.664 1.00 0.00 H new ATOM 0 HE2 PHE A 21 162.389 3.849 -4.952 1.00 0.00 H new ATOM 0 HZ PHE A 21 160.719 3.728 -3.146 1.00 0.00 H new ATOM 337 N LEU A 22 162.761 -2.025 -6.202 1.00 0.00 N ATOM 338 CA LEU A 22 161.788 -2.060 -7.287 1.00 0.00 C ATOM 339 C LEU A 22 160.936 -3.323 -7.234 1.00 0.00 C ATOM 340 O LEU A 22 159.759 -3.308 -7.595 1.00 0.00 O ATOM 341 CB LEU A 22 162.522 -2.004 -8.626 1.00 0.00 C ATOM 342 CG LEU A 22 162.161 -0.833 -9.537 1.00 0.00 C ATOM 343 CD1 LEU A 22 162.185 0.479 -8.767 1.00 0.00 C ATOM 344 CD2 LEU A 22 163.123 -0.789 -10.711 1.00 0.00 C ATOM 0 H LEU A 22 163.702 -2.307 -6.476 1.00 0.00 H new ATOM 0 HA LEU A 22 161.128 -1.199 -7.178 1.00 0.00 H new ATOM 0 HB2 LEU A 22 163.594 -1.969 -8.430 1.00 0.00 H new ATOM 0 HB3 LEU A 22 162.327 -2.931 -9.164 1.00 0.00 H new ATOM 0 HG LEU A 22 161.148 -0.975 -9.914 1.00 0.00 H new ATOM 0 HD11 LEU A 22 161.925 1.299 -9.437 1.00 0.00 H new ATOM 0 HD12 LEU A 22 161.464 0.435 -7.950 1.00 0.00 H new ATOM 0 HD13 LEU A 22 163.183 0.645 -8.362 1.00 0.00 H new ATOM 0 HD21 LEU A 22 162.865 0.047 -11.361 1.00 0.00 H new ATOM 0 HD22 LEU A 22 164.141 -0.662 -10.343 1.00 0.00 H new ATOM 0 HD23 LEU A 22 163.054 -1.720 -11.273 1.00 0.00 H new ATOM 356 N GLU A 23 161.545 -4.418 -6.798 1.00 0.00 N ATOM 357 CA GLU A 23 160.849 -5.700 -6.716 1.00 0.00 C ATOM 358 C GLU A 23 160.215 -5.925 -5.343 1.00 0.00 C ATOM 359 O GLU A 23 159.124 -6.487 -5.245 1.00 0.00 O ATOM 360 CB GLU A 23 161.812 -6.845 -7.035 1.00 0.00 C ATOM 361 CG GLU A 23 162.912 -7.019 -6.002 1.00 0.00 C ATOM 362 CD GLU A 23 163.938 -8.057 -6.413 1.00 0.00 C ATOM 363 OE1 GLU A 23 163.712 -9.255 -6.143 1.00 0.00 O ATOM 364 OE2 GLU A 23 164.968 -7.672 -7.005 1.00 0.00 O ATOM 0 H GLU A 23 162.519 -4.446 -6.495 1.00 0.00 H new ATOM 0 HA GLU A 23 160.045 -5.679 -7.452 1.00 0.00 H new ATOM 0 HB2 GLU A 23 161.247 -7.774 -7.112 1.00 0.00 H new ATOM 0 HB3 GLU A 23 162.265 -6.667 -8.010 1.00 0.00 H new ATOM 0 HG2 GLU A 23 163.411 -6.063 -5.843 1.00 0.00 H new ATOM 0 HG3 GLU A 23 162.468 -7.309 -5.049 1.00 0.00 H new ATOM 371 N MET A 24 160.896 -5.494 -4.283 1.00 0.00 N ATOM 372 CA MET A 24 160.374 -5.671 -2.929 1.00 0.00 C ATOM 373 C MET A 24 159.268 -4.670 -2.630 1.00 0.00 C ATOM 374 O MET A 24 158.192 -5.043 -2.164 1.00 0.00 O ATOM 375 CB MET A 24 161.483 -5.521 -1.888 1.00 0.00 C ATOM 376 CG MET A 24 162.450 -6.693 -1.847 1.00 0.00 C ATOM 377 SD MET A 24 163.215 -6.902 -0.227 1.00 0.00 S ATOM 378 CE MET A 24 161.774 -6.881 0.839 1.00 0.00 C ATOM 0 H MET A 24 161.800 -5.025 -4.333 1.00 0.00 H new ATOM 0 HA MET A 24 159.965 -6.680 -2.873 1.00 0.00 H new ATOM 0 HB2 MET A 24 162.042 -4.608 -2.095 1.00 0.00 H new ATOM 0 HB3 MET A 24 161.030 -5.401 -0.904 1.00 0.00 H new ATOM 0 HG2 MET A 24 161.920 -7.607 -2.115 1.00 0.00 H new ATOM 0 HG3 MET A 24 163.228 -6.544 -2.596 1.00 0.00 H new ATOM 0 HE1 MET A 24 162.049 -7.243 1.830 1.00 0.00 H new ATOM 0 HE2 MET A 24 161.395 -5.862 0.918 1.00 0.00 H new ATOM 0 HE3 MET A 24 161.001 -7.525 0.419 1.00 0.00 H new ATOM 388 N ALA A 25 159.542 -3.394 -2.890 1.00 0.00 N ATOM 389 CA ALA A 25 158.565 -2.335 -2.636 1.00 0.00 C ATOM 390 C ALA A 25 157.178 -2.720 -3.145 1.00 0.00 C ATOM 391 O ALA A 25 156.871 -2.557 -4.325 1.00 0.00 O ATOM 392 CB ALA A 25 159.016 -1.031 -3.275 1.00 0.00 C ATOM 0 H ALA A 25 160.428 -3.068 -3.275 1.00 0.00 H new ATOM 0 HA ALA A 25 158.500 -2.197 -1.557 1.00 0.00 H new ATOM 0 HB1 ALA A 25 158.278 -0.254 -3.076 1.00 0.00 H new ATOM 0 HB2 ALA A 25 159.977 -0.734 -2.856 1.00 0.00 H new ATOM 0 HB3 ALA A 25 159.117 -1.169 -4.352 1.00 0.00 H new ATOM 398 N GLY A 26 156.347 -3.234 -2.243 1.00 0.00 N ATOM 399 CA GLY A 26 155.003 -3.637 -2.616 1.00 0.00 C ATOM 400 C GLY A 26 154.060 -3.688 -1.429 1.00 0.00 C ATOM 401 O GLY A 26 153.771 -2.663 -0.813 1.00 0.00 O ATOM 0 H GLY A 26 156.580 -3.379 -1.261 1.00 0.00 H new ATOM 0 HA2 GLY A 26 154.611 -2.941 -3.357 1.00 0.00 H new ATOM 0 HA3 GLY A 26 155.040 -4.618 -3.089 1.00 0.00 H new ATOM 405 N GLU A 27 153.578 -4.885 -1.109 1.00 0.00 N ATOM 406 CA GLU A 27 152.659 -5.066 0.009 1.00 0.00 C ATOM 407 C GLU A 27 153.345 -4.772 1.340 1.00 0.00 C ATOM 408 O GLU A 27 152.721 -4.260 2.270 1.00 0.00 O ATOM 409 CB GLU A 27 152.102 -6.492 0.013 1.00 0.00 C ATOM 410 CG GLU A 27 153.178 -7.566 0.003 1.00 0.00 C ATOM 411 CD GLU A 27 153.037 -8.524 -1.165 1.00 0.00 C ATOM 412 OE1 GLU A 27 151.909 -9.002 -1.408 1.00 0.00 O ATOM 413 OE2 GLU A 27 154.055 -8.794 -1.836 1.00 0.00 O ATOM 0 H GLU A 27 153.809 -5.744 -1.608 1.00 0.00 H new ATOM 0 HA GLU A 27 151.837 -4.361 -0.115 1.00 0.00 H new ATOM 0 HB2 GLU A 27 151.475 -6.626 0.895 1.00 0.00 H new ATOM 0 HB3 GLU A 27 151.460 -6.625 -0.858 1.00 0.00 H new ATOM 0 HG2 GLU A 27 154.159 -7.092 -0.037 1.00 0.00 H new ATOM 0 HG3 GLU A 27 153.134 -8.128 0.936 1.00 0.00 H new ATOM 420 N ASN A 28 154.631 -5.097 1.426 1.00 0.00 N ATOM 421 CA ASN A 28 155.397 -4.866 2.646 1.00 0.00 C ATOM 422 C ASN A 28 155.461 -3.378 2.978 1.00 0.00 C ATOM 423 O ASN A 28 155.629 -2.997 4.136 1.00 0.00 O ATOM 424 CB ASN A 28 156.813 -5.427 2.497 1.00 0.00 C ATOM 425 CG ASN A 28 156.896 -6.891 2.881 1.00 0.00 C ATOM 426 OD1 ASN A 28 157.319 -7.232 3.985 1.00 0.00 O ATOM 427 ND2 ASN A 28 156.492 -7.766 1.967 1.00 0.00 N ATOM 0 H ASN A 28 155.164 -5.521 0.667 1.00 0.00 H new ATOM 0 HA ASN A 28 154.892 -5.380 3.464 1.00 0.00 H new ATOM 0 HB2 ASN A 28 157.143 -5.305 1.465 1.00 0.00 H new ATOM 0 HB3 ASN A 28 157.497 -4.851 3.120 1.00 0.00 H new ATOM 0 HD21 ASN A 28 156.525 -8.765 2.168 1.00 0.00 H new ATOM 0 HD22 ASN A 28 156.148 -7.438 1.064 1.00 0.00 H new ATOM 434 N LEU A 29 155.332 -2.542 1.953 1.00 0.00 N ATOM 435 CA LEU A 29 155.379 -1.096 2.134 1.00 0.00 C ATOM 436 C LEU A 29 153.973 -0.516 2.277 1.00 0.00 C ATOM 437 O LEU A 29 153.010 -1.058 1.735 1.00 0.00 O ATOM 438 CB LEU A 29 156.102 -0.447 0.952 1.00 0.00 C ATOM 439 CG LEU A 29 156.733 0.915 1.242 1.00 0.00 C ATOM 440 CD1 LEU A 29 157.780 1.253 0.191 1.00 0.00 C ATOM 441 CD2 LEU A 29 155.661 1.990 1.290 1.00 0.00 C ATOM 0 H LEU A 29 155.194 -2.842 0.988 1.00 0.00 H new ATOM 0 HA LEU A 29 155.927 -0.881 3.051 1.00 0.00 H new ATOM 0 HB2 LEU A 29 156.883 -1.125 0.608 1.00 0.00 H new ATOM 0 HB3 LEU A 29 155.394 -0.334 0.131 1.00 0.00 H new ATOM 0 HG LEU A 29 157.226 0.870 2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 29 158.218 2.226 0.414 1.00 0.00 H new ATOM 0 HD12 LEU A 29 158.561 0.493 0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 29 157.312 1.283 -0.793 1.00 0.00 H new ATOM 0 HD21 LEU A 29 156.123 2.955 1.497 1.00 0.00 H new ATOM 0 HD22 LEU A 29 155.145 2.033 0.331 1.00 0.00 H new ATOM 0 HD23 LEU A 29 154.944 1.754 2.077 1.00 0.00 H new ATOM 453 N ASP A 30 153.862 0.585 3.016 1.00 0.00 N ATOM 454 CA ASP A 30 152.574 1.237 3.238 1.00 0.00 C ATOM 455 C ASP A 30 151.978 1.749 1.923 1.00 0.00 C ATOM 456 O ASP A 30 152.686 2.314 1.091 1.00 0.00 O ATOM 457 CB ASP A 30 152.732 2.392 4.229 1.00 0.00 C ATOM 458 CG ASP A 30 152.717 1.923 5.670 1.00 0.00 C ATOM 459 OD1 ASP A 30 153.561 1.074 6.027 1.00 0.00 O ATOM 460 OD2 ASP A 30 151.862 2.405 6.443 1.00 0.00 O ATOM 0 H ASP A 30 154.650 1.045 3.472 1.00 0.00 H new ATOM 0 HA ASP A 30 151.889 0.499 3.655 1.00 0.00 H new ATOM 0 HB2 ASP A 30 153.668 2.913 4.029 1.00 0.00 H new ATOM 0 HB3 ASP A 30 151.928 3.111 4.076 1.00 0.00 H new ATOM 465 N PRO A 31 150.661 1.554 1.716 1.00 0.00 N ATOM 466 CA PRO A 31 149.978 1.994 0.492 1.00 0.00 C ATOM 467 C PRO A 31 150.284 3.446 0.127 1.00 0.00 C ATOM 468 O PRO A 31 150.887 3.717 -0.911 1.00 0.00 O ATOM 469 CB PRO A 31 148.497 1.827 0.836 1.00 0.00 C ATOM 470 CG PRO A 31 148.470 0.738 1.851 1.00 0.00 C ATOM 471 CD PRO A 31 149.735 0.886 2.652 1.00 0.00 C ATOM 0 HA PRO A 31 150.299 1.420 -0.377 1.00 0.00 H new ATOM 0 HB2 PRO A 31 148.075 2.750 1.233 1.00 0.00 H new ATOM 0 HB3 PRO A 31 147.912 1.563 -0.045 1.00 0.00 H new ATOM 0 HG2 PRO A 31 147.591 0.822 2.490 1.00 0.00 H new ATOM 0 HG3 PRO A 31 148.423 -0.240 1.373 1.00 0.00 H new ATOM 0 HD2 PRO A 31 149.574 1.482 3.550 1.00 0.00 H new ATOM 0 HD3 PRO A 31 150.120 -0.081 2.976 1.00 0.00 H new ATOM 479 N ALA A 32 149.861 4.377 0.977 1.00 0.00 N ATOM 480 CA ALA A 32 150.089 5.801 0.732 1.00 0.00 C ATOM 481 C ALA A 32 151.535 6.074 0.326 1.00 0.00 C ATOM 482 O ALA A 32 151.799 6.845 -0.599 1.00 0.00 O ATOM 483 CB ALA A 32 149.725 6.611 1.967 1.00 0.00 C ATOM 0 H ALA A 32 149.359 4.173 1.841 1.00 0.00 H new ATOM 0 HA ALA A 32 149.448 6.105 -0.096 1.00 0.00 H new ATOM 0 HB1 ALA A 32 149.899 7.669 1.772 1.00 0.00 H new ATOM 0 HB2 ALA A 32 148.674 6.454 2.208 1.00 0.00 H new ATOM 0 HB3 ALA A 32 150.341 6.291 2.807 1.00 0.00 H new ATOM 489 N ASP A 33 152.466 5.435 1.024 1.00 0.00 N ATOM 490 CA ASP A 33 153.886 5.603 0.742 1.00 0.00 C ATOM 491 C ASP A 33 154.241 5.040 -0.632 1.00 0.00 C ATOM 492 O ASP A 33 155.168 5.514 -1.287 1.00 0.00 O ATOM 493 CB ASP A 33 154.723 4.924 1.828 1.00 0.00 C ATOM 494 CG ASP A 33 155.073 5.869 2.961 1.00 0.00 C ATOM 495 OD1 ASP A 33 154.209 6.686 3.341 1.00 0.00 O ATOM 496 OD2 ASP A 33 156.212 5.791 3.469 1.00 0.00 O ATOM 0 H ASP A 33 152.262 4.794 1.791 1.00 0.00 H new ATOM 0 HA ASP A 33 154.110 6.670 0.738 1.00 0.00 H new ATOM 0 HB2 ASP A 33 154.174 4.071 2.226 1.00 0.00 H new ATOM 0 HB3 ASP A 33 155.640 4.535 1.386 1.00 0.00 H new ATOM 501 N ILE A 34 153.490 4.036 -1.074 1.00 0.00 N ATOM 502 CA ILE A 34 153.728 3.432 -2.378 1.00 0.00 C ATOM 503 C ILE A 34 153.409 4.428 -3.488 1.00 0.00 C ATOM 504 O ILE A 34 154.190 4.609 -4.422 1.00 0.00 O ATOM 505 CB ILE A 34 152.882 2.154 -2.571 1.00 0.00 C ATOM 506 CG1 ILE A 34 153.336 1.066 -1.596 1.00 0.00 C ATOM 507 CG2 ILE A 34 152.976 1.654 -4.006 1.00 0.00 C ATOM 508 CD1 ILE A 34 152.221 0.138 -1.167 1.00 0.00 C ATOM 0 H ILE A 34 152.716 3.626 -0.551 1.00 0.00 H new ATOM 0 HA ILE A 34 154.782 3.157 -2.427 1.00 0.00 H new ATOM 0 HB ILE A 34 151.840 2.398 -2.364 1.00 0.00 H new ATOM 0 HG12 ILE A 34 154.128 0.479 -2.062 1.00 0.00 H new ATOM 0 HG13 ILE A 34 153.766 1.537 -0.712 1.00 0.00 H new ATOM 0 HG21 ILE A 34 152.372 0.753 -4.118 1.00 0.00 H new ATOM 0 HG22 ILE A 34 152.608 2.424 -4.684 1.00 0.00 H new ATOM 0 HG23 ILE A 34 154.015 1.426 -4.245 1.00 0.00 H new ATOM 0 HD11 ILE A 34 152.614 -0.608 -0.476 1.00 0.00 H new ATOM 0 HD12 ILE A 34 151.439 0.714 -0.672 1.00 0.00 H new ATOM 0 HD13 ILE A 34 151.806 -0.361 -2.043 1.00 0.00 H new ATOM 520 N LEU A 35 152.255 5.075 -3.370 1.00 0.00 N ATOM 521 CA LEU A 35 151.821 6.061 -4.352 1.00 0.00 C ATOM 522 C LEU A 35 152.847 7.184 -4.484 1.00 0.00 C ATOM 523 O LEU A 35 153.402 7.408 -5.559 1.00 0.00 O ATOM 524 CB LEU A 35 150.461 6.638 -3.951 1.00 0.00 C ATOM 525 CG LEU A 35 149.876 7.663 -4.926 1.00 0.00 C ATOM 526 CD1 LEU A 35 148.758 7.043 -5.749 1.00 0.00 C ATOM 527 CD2 LEU A 35 149.371 8.887 -4.176 1.00 0.00 C ATOM 0 H LEU A 35 151.601 4.933 -2.600 1.00 0.00 H new ATOM 0 HA LEU A 35 151.729 5.565 -5.318 1.00 0.00 H new ATOM 0 HB2 LEU A 35 149.753 5.816 -3.844 1.00 0.00 H new ATOM 0 HB3 LEU A 35 150.557 7.106 -2.971 1.00 0.00 H new ATOM 0 HG LEU A 35 150.667 7.978 -5.606 1.00 0.00 H new ATOM 0 HD11 LEU A 35 148.356 7.788 -6.436 1.00 0.00 H new ATOM 0 HD12 LEU A 35 149.149 6.199 -6.317 1.00 0.00 H new ATOM 0 HD13 LEU A 35 147.966 6.697 -5.085 1.00 0.00 H new ATOM 0 HD21 LEU A 35 148.959 9.604 -4.886 1.00 0.00 H new ATOM 0 HD22 LEU A 35 148.595 8.587 -3.471 1.00 0.00 H new ATOM 0 HD23 LEU A 35 150.197 9.347 -3.633 1.00 0.00 H new ATOM 539 N LEU A 36 153.090 7.891 -3.382 1.00 0.00 N ATOM 540 CA LEU A 36 154.045 8.999 -3.366 1.00 0.00 C ATOM 541 C LEU A 36 155.354 8.622 -4.064 1.00 0.00 C ATOM 542 O LEU A 36 155.892 9.396 -4.856 1.00 0.00 O ATOM 543 CB LEU A 36 154.329 9.427 -1.925 1.00 0.00 C ATOM 544 CG LEU A 36 155.025 10.780 -1.776 1.00 0.00 C ATOM 545 CD1 LEU A 36 154.028 11.914 -1.958 1.00 0.00 C ATOM 546 CD2 LEU A 36 155.712 10.881 -0.422 1.00 0.00 C ATOM 0 H LEU A 36 152.637 7.716 -2.485 1.00 0.00 H new ATOM 0 HA LEU A 36 153.599 9.831 -3.912 1.00 0.00 H new ATOM 0 HB2 LEU A 36 153.386 9.459 -1.379 1.00 0.00 H new ATOM 0 HB3 LEU A 36 154.946 8.664 -1.451 1.00 0.00 H new ATOM 0 HG LEU A 36 155.786 10.864 -2.552 1.00 0.00 H new ATOM 0 HD11 LEU A 36 154.540 12.870 -1.849 1.00 0.00 H new ATOM 0 HD12 LEU A 36 153.584 11.852 -2.951 1.00 0.00 H new ATOM 0 HD13 LEU A 36 153.244 11.834 -1.204 1.00 0.00 H new ATOM 0 HD21 LEU A 36 156.202 11.851 -0.334 1.00 0.00 H new ATOM 0 HD22 LEU A 36 154.971 10.775 0.371 1.00 0.00 H new ATOM 0 HD23 LEU A 36 156.456 10.089 -0.331 1.00 0.00 H new ATOM 558 N PHE A 37 155.851 7.427 -3.770 1.00 0.00 N ATOM 559 CA PHE A 37 157.088 6.937 -4.369 1.00 0.00 C ATOM 560 C PHE A 37 156.929 6.766 -5.881 1.00 0.00 C ATOM 561 O PHE A 37 157.905 6.829 -6.627 1.00 0.00 O ATOM 562 CB PHE A 37 157.495 5.608 -3.715 1.00 0.00 C ATOM 563 CG PHE A 37 158.286 4.690 -4.609 1.00 0.00 C ATOM 564 CD1 PHE A 37 159.473 5.113 -5.184 1.00 0.00 C ATOM 565 CD2 PHE A 37 157.838 3.406 -4.873 1.00 0.00 C ATOM 566 CE1 PHE A 37 160.199 4.272 -6.006 1.00 0.00 C ATOM 567 CE2 PHE A 37 158.559 2.560 -5.694 1.00 0.00 C ATOM 568 CZ PHE A 37 159.741 2.994 -6.261 1.00 0.00 C ATOM 0 H PHE A 37 155.415 6.776 -3.117 1.00 0.00 H new ATOM 0 HA PHE A 37 157.875 7.671 -4.195 1.00 0.00 H new ATOM 0 HB2 PHE A 37 158.083 5.822 -2.823 1.00 0.00 H new ATOM 0 HB3 PHE A 37 156.595 5.088 -3.387 1.00 0.00 H new ATOM 0 HD1 PHE A 37 159.835 6.111 -4.988 1.00 0.00 H new ATOM 0 HD2 PHE A 37 156.914 3.062 -4.432 1.00 0.00 H new ATOM 0 HE1 PHE A 37 161.123 4.614 -6.448 1.00 0.00 H new ATOM 0 HE2 PHE A 37 158.199 1.561 -5.892 1.00 0.00 H new ATOM 0 HZ PHE A 37 160.307 2.335 -6.903 1.00 0.00 H new ATOM 578 N ASN A 38 155.696 6.541 -6.325 1.00 0.00 N ATOM 579 CA ASN A 38 155.419 6.353 -7.744 1.00 0.00 C ATOM 580 C ASN A 38 155.355 7.689 -8.481 1.00 0.00 C ATOM 581 O ASN A 38 155.805 7.799 -9.621 1.00 0.00 O ATOM 582 CB ASN A 38 154.105 5.592 -7.931 1.00 0.00 C ATOM 583 CG ASN A 38 154.318 4.097 -8.068 1.00 0.00 C ATOM 584 OD1 ASN A 38 153.865 3.479 -9.031 1.00 0.00 O ATOM 585 ND2 ASN A 38 155.011 3.506 -7.101 1.00 0.00 N ATOM 0 H ASN A 38 154.874 6.485 -5.723 1.00 0.00 H new ATOM 0 HA ASN A 38 156.237 5.770 -8.168 1.00 0.00 H new ATOM 0 HB2 ASN A 38 153.451 5.787 -7.081 1.00 0.00 H new ATOM 0 HB3 ASN A 38 153.594 5.966 -8.818 1.00 0.00 H new ATOM 0 HD21 ASN A 38 155.186 2.502 -7.139 1.00 0.00 H new ATOM 0 HD22 ASN A 38 155.369 4.056 -6.320 1.00 0.00 H new ATOM 592 N LEU A 39 154.787 8.699 -7.830 1.00 0.00 N ATOM 593 CA LEU A 39 154.661 10.020 -8.436 1.00 0.00 C ATOM 594 C LEU A 39 155.939 10.835 -8.265 1.00 0.00 C ATOM 595 O LEU A 39 156.361 11.540 -9.182 1.00 0.00 O ATOM 596 CB LEU A 39 153.478 10.774 -7.828 1.00 0.00 C ATOM 597 CG LEU A 39 152.102 10.232 -8.213 1.00 0.00 C ATOM 598 CD1 LEU A 39 151.988 10.089 -9.723 1.00 0.00 C ATOM 599 CD2 LEU A 39 151.850 8.899 -7.529 1.00 0.00 C ATOM 0 H LEU A 39 154.408 8.629 -6.886 1.00 0.00 H new ATOM 0 HA LEU A 39 154.487 9.879 -9.503 1.00 0.00 H new ATOM 0 HB2 LEU A 39 153.571 10.751 -6.742 1.00 0.00 H new ATOM 0 HB3 LEU A 39 153.538 11.819 -8.131 1.00 0.00 H new ATOM 0 HG LEU A 39 151.344 10.941 -7.879 1.00 0.00 H new ATOM 0 HD11 LEU A 39 151.002 9.702 -9.978 1.00 0.00 H new ATOM 0 HD12 LEU A 39 152.128 11.063 -10.192 1.00 0.00 H new ATOM 0 HD13 LEU A 39 152.752 9.400 -10.082 1.00 0.00 H new ATOM 0 HD21 LEU A 39 150.866 8.525 -7.812 1.00 0.00 H new ATOM 0 HD22 LEU A 39 152.613 8.183 -7.835 1.00 0.00 H new ATOM 0 HD23 LEU A 39 151.890 9.032 -6.448 1.00 0.00 H new ATOM 611 N GLN A 40 156.551 10.737 -7.091 1.00 0.00 N ATOM 612 CA GLN A 40 157.780 11.471 -6.814 1.00 0.00 C ATOM 613 C GLN A 40 158.914 10.525 -6.438 1.00 0.00 C ATOM 614 O GLN A 40 158.949 9.978 -5.338 1.00 0.00 O ATOM 615 CB GLN A 40 157.561 12.500 -5.701 1.00 0.00 C ATOM 616 CG GLN A 40 156.700 11.997 -4.554 1.00 0.00 C ATOM 617 CD GLN A 40 156.574 13.015 -3.434 1.00 0.00 C ATOM 618 OE1 GLN A 40 157.427 13.086 -2.549 1.00 0.00 O ATOM 619 NE2 GLN A 40 155.508 13.812 -3.462 1.00 0.00 N ATOM 0 H GLN A 40 156.219 10.159 -6.319 1.00 0.00 H new ATOM 0 HA GLN A 40 158.061 11.997 -7.726 1.00 0.00 H new ATOM 0 HB2 GLN A 40 158.530 12.806 -5.307 1.00 0.00 H new ATOM 0 HB3 GLN A 40 157.096 13.388 -6.128 1.00 0.00 H new ATOM 0 HG2 GLN A 40 155.707 11.750 -4.930 1.00 0.00 H new ATOM 0 HG3 GLN A 40 157.129 11.077 -4.158 1.00 0.00 H new ATOM 0 HE21 GLN A 40 154.823 13.722 -4.213 1.00 0.00 H new ATOM 0 HE22 GLN A 40 155.376 14.513 -2.733 1.00 0.00 H new ATOM 628 N PHE A 41 159.841 10.352 -7.369 1.00 0.00 N ATOM 629 CA PHE A 41 161.002 9.489 -7.170 1.00 0.00 C ATOM 630 C PHE A 41 162.065 9.794 -8.219 1.00 0.00 C ATOM 631 O PHE A 41 163.260 9.810 -7.926 1.00 0.00 O ATOM 632 CB PHE A 41 160.605 8.013 -7.243 1.00 0.00 C ATOM 633 CG PHE A 41 161.765 7.076 -7.045 1.00 0.00 C ATOM 634 CD1 PHE A 41 162.468 7.068 -5.851 1.00 0.00 C ATOM 635 CD2 PHE A 41 162.154 6.207 -8.052 1.00 0.00 C ATOM 636 CE1 PHE A 41 163.537 6.213 -5.664 1.00 0.00 C ATOM 637 CE2 PHE A 41 163.223 5.348 -7.870 1.00 0.00 C ATOM 638 CZ PHE A 41 163.915 5.351 -6.674 1.00 0.00 C ATOM 0 H PHE A 41 159.812 10.804 -8.283 1.00 0.00 H new ATOM 0 HA PHE A 41 161.408 9.686 -6.178 1.00 0.00 H new ATOM 0 HB2 PHE A 41 159.848 7.809 -6.485 1.00 0.00 H new ATOM 0 HB3 PHE A 41 160.147 7.814 -8.212 1.00 0.00 H new ATOM 0 HD1 PHE A 41 162.177 7.739 -5.056 1.00 0.00 H new ATOM 0 HD2 PHE A 41 161.617 6.200 -8.989 1.00 0.00 H new ATOM 0 HE1 PHE A 41 164.077 6.219 -4.728 1.00 0.00 H new ATOM 0 HE2 PHE A 41 163.517 4.675 -8.662 1.00 0.00 H new ATOM 0 HZ PHE A 41 164.749 4.681 -6.530 1.00 0.00 H new ATOM 648 N GLU A 42 161.611 10.055 -9.440 1.00 0.00 N ATOM 649 CA GLU A 42 162.513 10.385 -10.534 1.00 0.00 C ATOM 650 C GLU A 42 163.221 11.700 -10.235 1.00 0.00 C ATOM 651 O GLU A 42 164.442 11.743 -10.083 1.00 0.00 O ATOM 652 CB GLU A 42 161.744 10.488 -11.852 1.00 0.00 C ATOM 653 CG GLU A 42 162.637 10.706 -13.063 1.00 0.00 C ATOM 654 CD GLU A 42 163.123 9.405 -13.670 1.00 0.00 C ATOM 655 OE1 GLU A 42 162.383 8.401 -13.595 1.00 0.00 O ATOM 656 OE2 GLU A 42 164.244 9.389 -14.221 1.00 0.00 O ATOM 0 H GLU A 42 160.624 10.044 -9.696 1.00 0.00 H new ATOM 0 HA GLU A 42 163.254 9.592 -10.631 1.00 0.00 H new ATOM 0 HB2 GLU A 42 161.165 9.576 -11.997 1.00 0.00 H new ATOM 0 HB3 GLU A 42 161.032 11.310 -11.784 1.00 0.00 H new ATOM 0 HG2 GLU A 42 162.089 11.272 -13.817 1.00 0.00 H new ATOM 0 HG3 GLU A 42 163.496 11.310 -12.772 1.00 0.00 H new ATOM 663 N GLU A 43 162.440 12.771 -10.143 1.00 0.00 N ATOM 664 CA GLU A 43 162.981 14.091 -9.850 1.00 0.00 C ATOM 665 C GLU A 43 163.463 14.170 -8.404 1.00 0.00 C ATOM 666 O GLU A 43 164.372 14.937 -8.086 1.00 0.00 O ATOM 667 CB GLU A 43 161.925 15.168 -10.108 1.00 0.00 C ATOM 668 CG GLU A 43 160.678 15.016 -9.252 1.00 0.00 C ATOM 669 CD GLU A 43 159.405 14.986 -10.075 1.00 0.00 C ATOM 670 OE1 GLU A 43 158.985 16.058 -10.559 1.00 0.00 O ATOM 671 OE2 GLU A 43 158.827 13.890 -10.236 1.00 0.00 O ATOM 0 H GLU A 43 161.428 12.749 -10.268 1.00 0.00 H new ATOM 0 HA GLU A 43 163.832 14.263 -10.509 1.00 0.00 H new ATOM 0 HB2 GLU A 43 162.365 16.148 -9.923 1.00 0.00 H new ATOM 0 HB3 GLU A 43 161.639 15.140 -11.159 1.00 0.00 H new ATOM 0 HG2 GLU A 43 160.751 14.097 -8.670 1.00 0.00 H new ATOM 0 HG3 GLU A 43 160.627 15.841 -8.541 1.00 0.00 H new ATOM 678 N ARG A 44 162.851 13.372 -7.530 1.00 0.00 N ATOM 679 CA ARG A 44 163.223 13.355 -6.122 1.00 0.00 C ATOM 680 C ARG A 44 163.671 11.959 -5.705 1.00 0.00 C ATOM 681 O ARG A 44 163.092 11.353 -4.805 1.00 0.00 O ATOM 682 CB ARG A 44 162.044 13.809 -5.258 1.00 0.00 C ATOM 683 CG ARG A 44 161.776 15.303 -5.330 1.00 0.00 C ATOM 684 CD ARG A 44 161.181 15.825 -4.032 1.00 0.00 C ATOM 685 NE ARG A 44 160.690 17.194 -4.166 1.00 0.00 N ATOM 686 CZ ARG A 44 159.516 17.512 -4.707 1.00 0.00 C ATOM 687 NH1 ARG A 44 158.710 16.562 -5.167 1.00 0.00 N ATOM 688 NH2 ARG A 44 159.146 18.783 -4.789 1.00 0.00 N ATOM 0 H ARG A 44 162.097 12.731 -7.775 1.00 0.00 H new ATOM 0 HA ARG A 44 164.054 14.045 -5.976 1.00 0.00 H new ATOM 0 HB2 ARG A 44 161.148 13.272 -5.570 1.00 0.00 H new ATOM 0 HB3 ARG A 44 162.236 13.533 -4.221 1.00 0.00 H new ATOM 0 HG2 ARG A 44 162.706 15.831 -5.544 1.00 0.00 H new ATOM 0 HG3 ARG A 44 161.094 15.512 -6.154 1.00 0.00 H new ATOM 0 HD2 ARG A 44 160.363 15.175 -3.721 1.00 0.00 H new ATOM 0 HD3 ARG A 44 161.935 15.786 -3.246 1.00 0.00 H new ATOM 0 HE ARG A 44 161.282 17.951 -3.825 1.00 0.00 H new ATOM 0 HH11 ARG A 44 158.989 15.583 -5.107 1.00 0.00 H new ATOM 0 HH12 ARG A 44 157.812 16.812 -5.581 1.00 0.00 H new ATOM 0 HH21 ARG A 44 159.761 19.517 -4.438 1.00 0.00 H new ATOM 0 HH22 ARG A 44 158.246 19.027 -5.204 1.00 0.00 H new ATOM 702 N GLY A 45 164.707 11.453 -6.365 1.00 0.00 N ATOM 703 CA GLY A 45 165.213 10.131 -6.047 1.00 0.00 C ATOM 704 C GLY A 45 166.316 10.165 -5.011 1.00 0.00 C ATOM 705 O GLY A 45 167.235 10.979 -5.098 1.00 0.00 O ATOM 0 H GLY A 45 165.205 11.934 -7.114 1.00 0.00 H new ATOM 0 HA2 GLY A 45 164.395 9.511 -5.681 1.00 0.00 H new ATOM 0 HA3 GLY A 45 165.588 9.661 -6.956 1.00 0.00 H new ATOM 709 N GLY A 46 166.229 9.273 -4.032 1.00 0.00 N ATOM 710 CA GLY A 46 167.235 9.214 -2.990 1.00 0.00 C ATOM 711 C GLY A 46 167.616 7.790 -2.642 1.00 0.00 C ATOM 712 O GLY A 46 166.758 6.980 -2.289 1.00 0.00 O ATOM 0 H GLY A 46 165.478 8.588 -3.941 1.00 0.00 H new ATOM 0 HA2 GLY A 46 168.123 9.757 -3.314 1.00 0.00 H new ATOM 0 HA3 GLY A 46 166.861 9.717 -2.098 1.00 0.00 H new ATOM 716 N VAL A 47 168.904 7.483 -2.740 1.00 0.00 N ATOM 717 CA VAL A 47 169.397 6.147 -2.431 1.00 0.00 C ATOM 718 C VAL A 47 170.831 6.214 -1.914 1.00 0.00 C ATOM 719 O VAL A 47 171.768 5.786 -2.588 1.00 0.00 O ATOM 720 CB VAL A 47 169.338 5.219 -3.670 1.00 0.00 C ATOM 721 CG1 VAL A 47 167.974 4.551 -3.773 1.00 0.00 C ATOM 722 CG2 VAL A 47 169.655 5.998 -4.940 1.00 0.00 C ATOM 0 H VAL A 47 169.626 8.142 -3.031 1.00 0.00 H new ATOM 0 HA VAL A 47 168.750 5.732 -1.658 1.00 0.00 H new ATOM 0 HB VAL A 47 170.091 4.440 -3.552 1.00 0.00 H new ATOM 0 HG11 VAL A 47 167.951 3.903 -4.649 1.00 0.00 H new ATOM 0 HG12 VAL A 47 167.791 3.957 -2.878 1.00 0.00 H new ATOM 0 HG13 VAL A 47 167.201 5.314 -3.866 1.00 0.00 H new ATOM 0 HG21 VAL A 47 169.608 5.328 -5.799 1.00 0.00 H new ATOM 0 HG22 VAL A 47 168.928 6.800 -5.066 1.00 0.00 H new ATOM 0 HG23 VAL A 47 170.656 6.423 -4.866 1.00 0.00 H new ATOM 732 N GLU A 48 170.994 6.770 -0.717 1.00 0.00 N ATOM 733 CA GLU A 48 172.313 6.912 -0.110 1.00 0.00 C ATOM 734 C GLU A 48 172.775 5.610 0.536 1.00 0.00 C ATOM 735 O GLU A 48 172.048 4.998 1.318 1.00 0.00 O ATOM 736 CB GLU A 48 172.297 8.031 0.933 1.00 0.00 C ATOM 737 CG GLU A 48 172.254 9.425 0.330 1.00 0.00 C ATOM 738 CD GLU A 48 173.485 9.740 -0.497 1.00 0.00 C ATOM 739 OE1 GLU A 48 173.513 9.361 -1.687 1.00 0.00 O ATOM 740 OE2 GLU A 48 174.420 10.366 0.045 1.00 0.00 O ATOM 0 H GLU A 48 170.228 7.130 -0.148 1.00 0.00 H new ATOM 0 HA GLU A 48 173.017 7.165 -0.903 1.00 0.00 H new ATOM 0 HB2 GLU A 48 171.432 7.898 1.582 1.00 0.00 H new ATOM 0 HB3 GLU A 48 173.183 7.943 1.561 1.00 0.00 H new ATOM 0 HG2 GLU A 48 171.366 9.519 -0.296 1.00 0.00 H new ATOM 0 HG3 GLU A 48 172.160 10.160 1.129 1.00 0.00 H new ATOM 747 N PHE A 49 173.993 5.196 0.201 1.00 0.00 N ATOM 748 CA PHE A 49 174.564 3.970 0.744 1.00 0.00 C ATOM 749 C PHE A 49 175.336 4.251 2.030 1.00 0.00 C ATOM 750 O PHE A 49 176.517 4.597 1.993 1.00 0.00 O ATOM 751 CB PHE A 49 175.487 3.315 -0.285 1.00 0.00 C ATOM 752 CG PHE A 49 176.093 2.026 0.189 1.00 0.00 C ATOM 753 CD1 PHE A 49 177.279 2.025 0.905 1.00 0.00 C ATOM 754 CD2 PHE A 49 175.475 0.816 -0.080 1.00 0.00 C ATOM 755 CE1 PHE A 49 177.837 0.840 1.345 1.00 0.00 C ATOM 756 CE2 PHE A 49 176.028 -0.372 0.357 1.00 0.00 C ATOM 757 CZ PHE A 49 177.211 -0.360 1.070 1.00 0.00 C ATOM 0 H PHE A 49 174.605 5.694 -0.446 1.00 0.00 H new ATOM 0 HA PHE A 49 173.745 3.289 0.975 1.00 0.00 H new ATOM 0 HB2 PHE A 49 174.924 3.128 -1.199 1.00 0.00 H new ATOM 0 HB3 PHE A 49 176.286 4.011 -0.540 1.00 0.00 H new ATOM 0 HD1 PHE A 49 177.773 2.961 1.122 1.00 0.00 H new ATOM 0 HD2 PHE A 49 174.550 0.801 -0.638 1.00 0.00 H new ATOM 0 HE1 PHE A 49 178.761 0.852 1.903 1.00 0.00 H new ATOM 0 HE2 PHE A 49 175.536 -1.309 0.141 1.00 0.00 H new ATOM 0 HZ PHE A 49 177.646 -1.288 1.412 1.00 0.00 H new ATOM 767 N VAL A 50 174.663 4.098 3.166 1.00 0.00 N ATOM 768 CA VAL A 50 175.289 4.333 4.462 1.00 0.00 C ATOM 769 C VAL A 50 175.923 3.055 5.000 1.00 0.00 C ATOM 770 O VAL A 50 175.844 1.998 4.373 1.00 0.00 O ATOM 771 CB VAL A 50 174.272 4.855 5.495 1.00 0.00 C ATOM 772 CG1 VAL A 50 173.887 6.294 5.191 1.00 0.00 C ATOM 773 CG2 VAL A 50 173.041 3.961 5.532 1.00 0.00 C ATOM 0 H VAL A 50 173.685 3.813 3.215 1.00 0.00 H new ATOM 0 HA VAL A 50 176.059 5.089 4.308 1.00 0.00 H new ATOM 0 HB VAL A 50 174.740 4.831 6.479 1.00 0.00 H new ATOM 0 HG11 VAL A 50 173.168 6.643 5.932 1.00 0.00 H new ATOM 0 HG12 VAL A 50 174.776 6.923 5.224 1.00 0.00 H new ATOM 0 HG13 VAL A 50 173.440 6.349 4.198 1.00 0.00 H new ATOM 0 HG21 VAL A 50 172.334 4.345 6.267 1.00 0.00 H new ATOM 0 HG22 VAL A 50 172.571 3.948 4.549 1.00 0.00 H new ATOM 0 HG23 VAL A 50 173.335 2.948 5.807 1.00 0.00 H new ATOM 783 N GLU A 51 176.550 3.156 6.166 1.00 0.00 N ATOM 784 CA GLU A 51 177.193 2.004 6.785 1.00 0.00 C ATOM 785 C GLU A 51 176.358 1.479 7.947 1.00 0.00 C ATOM 786 O GLU A 51 175.278 1.997 8.233 1.00 0.00 O ATOM 787 CB GLU A 51 178.594 2.377 7.274 1.00 0.00 C ATOM 788 CG GLU A 51 179.444 3.065 6.218 1.00 0.00 C ATOM 789 CD GLU A 51 180.505 3.965 6.819 1.00 0.00 C ATOM 790 OE1 GLU A 51 181.357 3.454 7.577 1.00 0.00 O ATOM 791 OE2 GLU A 51 180.484 5.180 6.533 1.00 0.00 O ATOM 0 H GLU A 51 176.627 4.021 6.700 1.00 0.00 H new ATOM 0 HA GLU A 51 177.277 1.217 6.035 1.00 0.00 H new ATOM 0 HB2 GLU A 51 178.505 3.032 8.140 1.00 0.00 H new ATOM 0 HB3 GLU A 51 179.105 1.474 7.609 1.00 0.00 H new ATOM 0 HG2 GLU A 51 179.924 2.310 5.595 1.00 0.00 H new ATOM 0 HG3 GLU A 51 178.800 3.655 5.566 1.00 0.00 H new ATOM 798 N THR A 52 176.864 0.448 8.614 1.00 0.00 N ATOM 799 CA THR A 52 176.165 -0.148 9.746 1.00 0.00 C ATOM 800 C THR A 52 176.235 0.761 10.970 1.00 0.00 C ATOM 801 O THR A 52 177.028 1.702 11.013 1.00 0.00 O ATOM 802 CB THR A 52 176.763 -1.518 10.070 1.00 0.00 C ATOM 803 OG1 THR A 52 176.778 -2.343 8.919 1.00 0.00 O ATOM 804 CG2 THR A 52 176.014 -2.260 11.156 1.00 0.00 C ATOM 0 H THR A 52 177.756 0.007 8.390 1.00 0.00 H new ATOM 0 HA THR A 52 175.117 -0.272 9.475 1.00 0.00 H new ATOM 0 HB THR A 52 177.773 -1.314 10.424 1.00 0.00 H new ATOM 0 HG1 THR A 52 175.891 -2.339 8.502 1.00 0.00 H new ATOM 0 HG21 THR A 52 176.492 -3.223 11.335 1.00 0.00 H new ATOM 0 HG22 THR A 52 176.027 -1.672 12.074 1.00 0.00 H new ATOM 0 HG23 THR A 52 174.982 -2.420 10.842 1.00 0.00 H new ATOM 812 N ALA A 53 175.399 0.472 11.961 1.00 0.00 N ATOM 813 CA ALA A 53 175.362 1.258 13.187 1.00 0.00 C ATOM 814 C ALA A 53 175.208 0.359 14.409 1.00 0.00 C ATOM 815 O ALA A 53 174.981 -0.844 14.283 1.00 0.00 O ATOM 816 CB ALA A 53 174.227 2.267 13.125 1.00 0.00 C ATOM 0 H ALA A 53 174.736 -0.303 11.938 1.00 0.00 H new ATOM 0 HA ALA A 53 176.307 1.793 13.280 1.00 0.00 H new ATOM 0 HB1 ALA A 53 174.208 2.850 14.046 1.00 0.00 H new ATOM 0 HB2 ALA A 53 174.379 2.934 12.277 1.00 0.00 H new ATOM 0 HB3 ALA A 53 173.279 1.742 13.008 1.00 0.00 H new ATOM 822 N ASP A 54 175.329 0.952 15.592 1.00 0.00 N ATOM 823 CA ASP A 54 175.200 0.205 16.838 1.00 0.00 C ATOM 824 C ASP A 54 173.750 0.189 17.312 1.00 0.00 C ATOM 825 O ASP A 54 173.316 -0.746 17.985 1.00 0.00 O ATOM 826 CB ASP A 54 176.099 0.812 17.918 1.00 0.00 C ATOM 827 CG ASP A 54 177.327 -0.034 18.190 1.00 0.00 C ATOM 828 OD1 ASP A 54 177.222 -0.997 18.978 1.00 0.00 O ATOM 829 OD2 ASP A 54 178.395 0.267 17.615 1.00 0.00 O ATOM 0 H ASP A 54 175.516 1.947 15.714 1.00 0.00 H new ATOM 0 HA ASP A 54 175.514 -0.822 16.653 1.00 0.00 H new ATOM 0 HB2 ASP A 54 176.410 1.810 17.609 1.00 0.00 H new ATOM 0 HB3 ASP A 54 175.529 0.926 18.840 1.00 0.00 H new ATOM 834 N ASP A 55 173.006 1.233 16.959 1.00 0.00 N ATOM 835 CA ASP A 55 171.604 1.344 17.351 1.00 0.00 C ATOM 836 C ASP A 55 170.692 0.599 16.374 1.00 0.00 C ATOM 837 O ASP A 55 169.661 1.122 15.950 1.00 0.00 O ATOM 838 CB ASP A 55 171.198 2.819 17.437 1.00 0.00 C ATOM 839 CG ASP A 55 170.766 3.218 18.835 1.00 0.00 C ATOM 840 OD1 ASP A 55 171.369 2.720 19.808 1.00 0.00 O ATOM 841 OD2 ASP A 55 169.824 4.030 18.956 1.00 0.00 O ATOM 0 H ASP A 55 173.350 2.015 16.402 1.00 0.00 H new ATOM 0 HA ASP A 55 171.490 0.883 18.332 1.00 0.00 H new ATOM 0 HB2 ASP A 55 172.036 3.443 17.127 1.00 0.00 H new ATOM 0 HB3 ASP A 55 170.383 3.010 16.739 1.00 0.00 H new ATOM 846 N TRP A 56 171.073 -0.627 16.026 1.00 0.00 N ATOM 847 CA TRP A 56 170.284 -1.440 15.107 1.00 0.00 C ATOM 848 C TRP A 56 169.301 -2.318 15.874 1.00 0.00 C ATOM 849 O TRP A 56 168.147 -2.467 15.475 1.00 0.00 O ATOM 850 CB TRP A 56 171.202 -2.312 14.249 1.00 0.00 C ATOM 851 CG TRP A 56 171.356 -1.811 12.847 1.00 0.00 C ATOM 852 CD1 TRP A 56 172.515 -1.431 12.239 1.00 0.00 C ATOM 853 CD2 TRP A 56 170.316 -1.636 11.877 1.00 0.00 C ATOM 854 NE1 TRP A 56 172.262 -1.031 10.948 1.00 0.00 N ATOM 855 CE2 TRP A 56 170.919 -1.148 10.703 1.00 0.00 C ATOM 856 CE3 TRP A 56 168.934 -1.846 11.888 1.00 0.00 C ATOM 857 CZ2 TRP A 56 170.186 -0.867 9.551 1.00 0.00 C ATOM 858 CZ3 TRP A 56 168.209 -1.568 10.745 1.00 0.00 C ATOM 859 CH2 TRP A 56 168.835 -1.084 9.590 1.00 0.00 C ATOM 0 H TRP A 56 171.922 -1.078 16.366 1.00 0.00 H new ATOM 0 HA TRP A 56 169.720 -0.771 14.457 1.00 0.00 H new ATOM 0 HB2 TRP A 56 172.184 -2.364 14.718 1.00 0.00 H new ATOM 0 HB3 TRP A 56 170.807 -3.327 14.223 1.00 0.00 H new ATOM 0 HD1 TRP A 56 173.490 -1.442 12.703 1.00 0.00 H new ATOM 0 HE1 TRP A 56 172.960 -0.701 10.282 1.00 0.00 H new ATOM 0 HE3 TRP A 56 168.442 -2.219 12.774 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 170.667 -0.492 8.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 167.141 -1.727 10.743 1.00 0.00 H new ATOM 0 HH2 TRP A 56 168.240 -0.878 8.712 1.00 0.00 H new ATOM 870 N GLU A 57 169.775 -2.904 16.971 1.00 0.00 N ATOM 871 CA GLU A 57 168.949 -3.778 17.799 1.00 0.00 C ATOM 872 C GLU A 57 167.812 -3.001 18.461 1.00 0.00 C ATOM 873 O GLU A 57 167.757 -2.879 19.685 1.00 0.00 O ATOM 874 CB GLU A 57 169.807 -4.460 18.867 1.00 0.00 C ATOM 875 CG GLU A 57 170.698 -3.499 19.636 1.00 0.00 C ATOM 876 CD GLU A 57 170.962 -3.957 21.057 1.00 0.00 C ATOM 877 OE1 GLU A 57 170.093 -3.730 21.925 1.00 0.00 O ATOM 878 OE2 GLU A 57 172.037 -4.544 21.302 1.00 0.00 O ATOM 0 H GLU A 57 170.731 -2.788 17.308 1.00 0.00 H new ATOM 0 HA GLU A 57 168.510 -4.537 17.152 1.00 0.00 H new ATOM 0 HB2 GLU A 57 169.154 -4.978 19.569 1.00 0.00 H new ATOM 0 HB3 GLU A 57 170.429 -5.218 18.392 1.00 0.00 H new ATOM 0 HG2 GLU A 57 171.647 -3.391 19.111 1.00 0.00 H new ATOM 0 HG3 GLU A 57 170.231 -2.514 19.657 1.00 0.00 H new ATOM 885 N GLU A 58 166.909 -2.475 17.641 1.00 0.00 N ATOM 886 CA GLU A 58 165.774 -1.708 18.131 1.00 0.00 C ATOM 887 C GLU A 58 164.692 -1.614 17.060 1.00 0.00 C ATOM 888 O GLU A 58 163.517 -1.865 17.324 1.00 0.00 O ATOM 889 CB GLU A 58 166.233 -0.309 18.537 1.00 0.00 C ATOM 890 CG GLU A 58 166.434 -0.144 20.035 1.00 0.00 C ATOM 891 CD GLU A 58 167.878 0.133 20.405 1.00 0.00 C ATOM 892 OE1 GLU A 58 168.312 1.297 20.273 1.00 0.00 O ATOM 893 OE2 GLU A 58 168.575 -0.814 20.826 1.00 0.00 O ATOM 0 H GLU A 58 166.944 -2.568 16.626 1.00 0.00 H new ATOM 0 HA GLU A 58 165.356 -2.215 19.001 1.00 0.00 H new ATOM 0 HB2 GLU A 58 167.168 -0.080 18.026 1.00 0.00 H new ATOM 0 HB3 GLU A 58 165.497 0.419 18.195 1.00 0.00 H new ATOM 0 HG2 GLU A 58 165.808 0.673 20.393 1.00 0.00 H new ATOM 0 HG3 GLU A 58 166.100 -1.048 20.544 1.00 0.00 H new ATOM 900 N GLU A 59 165.104 -1.250 15.849 1.00 0.00 N ATOM 901 CA GLU A 59 164.173 -1.121 14.729 1.00 0.00 C ATOM 902 C GLU A 59 163.846 -2.485 14.125 1.00 0.00 C ATOM 903 O GLU A 59 162.746 -3.005 14.310 1.00 0.00 O ATOM 904 CB GLU A 59 164.732 -0.185 13.647 1.00 0.00 C ATOM 905 CG GLU A 59 166.249 -0.205 13.515 1.00 0.00 C ATOM 906 CD GLU A 59 166.915 0.923 14.278 1.00 0.00 C ATOM 907 OE1 GLU A 59 166.466 1.225 15.404 1.00 0.00 O ATOM 908 OE2 GLU A 59 167.886 1.505 13.749 1.00 0.00 O ATOM 0 H GLU A 59 166.075 -1.039 15.617 1.00 0.00 H new ATOM 0 HA GLU A 59 163.253 -0.686 15.120 1.00 0.00 H new ATOM 0 HB2 GLU A 59 164.293 -0.457 12.687 1.00 0.00 H new ATOM 0 HB3 GLU A 59 164.413 0.834 13.866 1.00 0.00 H new ATOM 0 HG2 GLU A 59 166.629 -1.159 13.879 1.00 0.00 H new ATOM 0 HG3 GLU A 59 166.519 -0.135 12.461 1.00 0.00 H new ATOM 915 N ILE A 60 164.802 -3.063 13.402 1.00 0.00 N ATOM 916 CA ILE A 60 164.601 -4.366 12.778 1.00 0.00 C ATOM 917 C ILE A 60 164.337 -5.443 13.826 1.00 0.00 C ATOM 918 O ILE A 60 163.626 -6.414 13.567 1.00 0.00 O ATOM 919 CB ILE A 60 165.812 -4.777 11.915 1.00 0.00 C ATOM 920 CG1 ILE A 60 167.107 -4.705 12.731 1.00 0.00 C ATOM 921 CG2 ILE A 60 165.902 -3.891 10.680 1.00 0.00 C ATOM 922 CD1 ILE A 60 168.350 -5.036 11.930 1.00 0.00 C ATOM 0 H ILE A 60 165.720 -2.651 13.235 1.00 0.00 H new ATOM 0 HA ILE A 60 163.728 -4.274 12.132 1.00 0.00 H new ATOM 0 HB ILE A 60 165.675 -5.809 11.591 1.00 0.00 H new ATOM 0 HG12 ILE A 60 167.209 -3.702 13.146 1.00 0.00 H new ATOM 0 HG13 ILE A 60 167.034 -5.393 13.573 1.00 0.00 H new ATOM 0 HG21 ILE A 60 166.760 -4.191 10.079 1.00 0.00 H new ATOM 0 HG22 ILE A 60 164.992 -3.996 10.090 1.00 0.00 H new ATOM 0 HG23 ILE A 60 166.018 -2.851 10.986 1.00 0.00 H new ATOM 0 HD11 ILE A 60 169.227 -4.964 12.573 1.00 0.00 H new ATOM 0 HD12 ILE A 60 168.270 -6.049 11.537 1.00 0.00 H new ATOM 0 HD13 ILE A 60 168.448 -4.333 11.103 1.00 0.00 H new ATOM 934 N GLY A 61 164.906 -5.261 15.015 1.00 0.00 N ATOM 935 CA GLY A 61 164.709 -6.221 16.087 1.00 0.00 C ATOM 936 C GLY A 61 165.795 -7.278 16.142 1.00 0.00 C ATOM 937 O GLY A 61 165.505 -8.466 16.285 1.00 0.00 O ATOM 0 H GLY A 61 165.499 -4.467 15.255 1.00 0.00 H new ATOM 0 HA2 GLY A 61 164.676 -5.692 17.039 1.00 0.00 H new ATOM 0 HA3 GLY A 61 163.742 -6.708 15.959 1.00 0.00 H new ATOM 941 N VAL A 62 167.049 -6.848 16.040 1.00 0.00 N ATOM 942 CA VAL A 62 168.186 -7.767 16.090 1.00 0.00 C ATOM 943 C VAL A 62 169.501 -7.017 15.938 1.00 0.00 C ATOM 944 O VAL A 62 169.651 -6.180 15.048 1.00 0.00 O ATOM 945 CB VAL A 62 168.117 -8.868 15.005 1.00 0.00 C ATOM 946 CG1 VAL A 62 167.759 -10.204 15.634 1.00 0.00 C ATOM 947 CG2 VAL A 62 167.135 -8.506 13.898 1.00 0.00 C ATOM 0 H VAL A 62 167.306 -5.868 15.922 1.00 0.00 H new ATOM 0 HA VAL A 62 168.136 -8.246 17.068 1.00 0.00 H new ATOM 0 HB VAL A 62 169.103 -8.950 14.547 1.00 0.00 H new ATOM 0 HG11 VAL A 62 167.714 -10.970 14.860 1.00 0.00 H new ATOM 0 HG12 VAL A 62 168.517 -10.475 16.369 1.00 0.00 H new ATOM 0 HG13 VAL A 62 166.789 -10.127 16.125 1.00 0.00 H new ATOM 0 HG21 VAL A 62 167.114 -9.303 13.155 1.00 0.00 H new ATOM 0 HG22 VAL A 62 166.139 -8.379 14.322 1.00 0.00 H new ATOM 0 HG23 VAL A 62 167.448 -7.576 13.424 1.00 0.00 H new ATOM 957 N LEU A 63 170.454 -7.322 16.812 1.00 0.00 N ATOM 958 CA LEU A 63 171.759 -6.675 16.775 1.00 0.00 C ATOM 959 C LEU A 63 172.518 -7.053 15.508 1.00 0.00 C ATOM 960 O LEU A 63 172.466 -8.198 15.059 1.00 0.00 O ATOM 961 CB LEU A 63 172.578 -7.065 18.007 1.00 0.00 C ATOM 962 CG LEU A 63 172.918 -8.554 18.112 1.00 0.00 C ATOM 963 CD1 LEU A 63 174.312 -8.822 17.567 1.00 0.00 C ATOM 964 CD2 LEU A 63 172.808 -9.027 19.554 1.00 0.00 C ATOM 0 H LEU A 63 170.347 -8.013 17.554 1.00 0.00 H new ATOM 0 HA LEU A 63 171.602 -5.596 16.775 1.00 0.00 H new ATOM 0 HB2 LEU A 63 173.507 -6.495 18.003 1.00 0.00 H new ATOM 0 HB3 LEU A 63 172.027 -6.770 18.900 1.00 0.00 H new ATOM 0 HG LEU A 63 172.201 -9.114 17.512 1.00 0.00 H new ATOM 0 HD11 LEU A 63 174.537 -9.885 17.650 1.00 0.00 H new ATOM 0 HD12 LEU A 63 174.357 -8.522 16.520 1.00 0.00 H new ATOM 0 HD13 LEU A 63 175.043 -8.251 18.140 1.00 0.00 H new ATOM 0 HD21 LEU A 63 173.053 -10.088 19.609 1.00 0.00 H new ATOM 0 HD22 LEU A 63 173.502 -8.462 20.176 1.00 0.00 H new ATOM 0 HD23 LEU A 63 171.790 -8.871 19.911 1.00 0.00 H new ATOM 976 N ILE A 64 173.220 -6.082 14.935 1.00 0.00 N ATOM 977 CA ILE A 64 173.988 -6.311 13.719 1.00 0.00 C ATOM 978 C ILE A 64 175.447 -5.908 13.905 1.00 0.00 C ATOM 979 O ILE A 64 175.752 -4.951 14.617 1.00 0.00 O ATOM 980 CB ILE A 64 173.398 -5.527 12.531 1.00 0.00 C ATOM 981 CG1 ILE A 64 171.897 -5.798 12.409 1.00 0.00 C ATOM 982 CG2 ILE A 64 174.114 -5.894 11.240 1.00 0.00 C ATOM 983 CD1 ILE A 64 171.562 -7.258 12.199 1.00 0.00 C ATOM 0 H ILE A 64 173.273 -5.129 15.294 1.00 0.00 H new ATOM 0 HA ILE A 64 173.935 -7.379 13.506 1.00 0.00 H new ATOM 0 HB ILE A 64 173.544 -4.462 12.712 1.00 0.00 H new ATOM 0 HG12 ILE A 64 171.398 -5.445 13.311 1.00 0.00 H new ATOM 0 HG13 ILE A 64 171.498 -5.219 11.577 1.00 0.00 H new ATOM 0 HG21 ILE A 64 173.684 -5.330 10.412 1.00 0.00 H new ATOM 0 HG22 ILE A 64 175.173 -5.654 11.331 1.00 0.00 H new ATOM 0 HG23 ILE A 64 173.999 -6.961 11.051 1.00 0.00 H new ATOM 0 HD11 ILE A 64 170.481 -7.376 12.121 1.00 0.00 H new ATOM 0 HD12 ILE A 64 172.032 -7.611 11.281 1.00 0.00 H new ATOM 0 HD13 ILE A 64 171.931 -7.841 13.043 1.00 0.00 H new ATOM 995 N ASP A 65 176.346 -6.640 13.254 1.00 0.00 N ATOM 996 CA ASP A 65 177.773 -6.355 13.342 1.00 0.00 C ATOM 997 C ASP A 65 178.115 -5.098 12.544 1.00 0.00 C ATOM 998 O ASP A 65 177.869 -5.041 11.339 1.00 0.00 O ATOM 999 CB ASP A 65 178.583 -7.544 12.820 1.00 0.00 C ATOM 1000 CG ASP A 65 179.314 -8.277 13.929 1.00 0.00 C ATOM 1001 OD1 ASP A 65 180.331 -7.747 14.421 1.00 0.00 O ATOM 1002 OD2 ASP A 65 178.867 -9.381 14.304 1.00 0.00 O ATOM 0 H ASP A 65 176.111 -7.435 12.660 1.00 0.00 H new ATOM 0 HA ASP A 65 178.029 -6.186 14.388 1.00 0.00 H new ATOM 0 HB2 ASP A 65 177.916 -8.238 12.308 1.00 0.00 H new ATOM 0 HB3 ASP A 65 179.305 -7.193 12.083 1.00 0.00 H new ATOM 1007 N PRO A 66 178.685 -4.067 13.195 1.00 0.00 N ATOM 1008 CA PRO A 66 179.045 -2.824 12.517 1.00 0.00 C ATOM 1009 C PRO A 66 180.219 -3.009 11.564 1.00 0.00 C ATOM 1010 O PRO A 66 180.951 -3.994 11.648 1.00 0.00 O ATOM 1011 CB PRO A 66 179.418 -1.860 13.649 1.00 0.00 C ATOM 1012 CG PRO A 66 179.048 -2.552 14.923 1.00 0.00 C ATOM 1013 CD PRO A 66 179.020 -4.024 14.624 1.00 0.00 C ATOM 0 HA PRO A 66 178.225 -2.457 11.900 1.00 0.00 H new ATOM 0 HB2 PRO A 66 180.483 -1.627 13.627 1.00 0.00 H new ATOM 0 HB3 PRO A 66 178.883 -0.916 13.549 1.00 0.00 H new ATOM 0 HG2 PRO A 66 179.771 -2.330 15.708 1.00 0.00 H new ATOM 0 HG3 PRO A 66 178.076 -2.211 15.280 1.00 0.00 H new ATOM 0 HD2 PRO A 66 179.982 -4.495 14.827 1.00 0.00 H new ATOM 0 HD3 PRO A 66 178.277 -4.544 15.228 1.00 0.00 H new ATOM 1021 N GLU A 67 180.382 -2.056 10.652 1.00 0.00 N ATOM 1022 CA GLU A 67 181.458 -2.099 9.661 1.00 0.00 C ATOM 1023 C GLU A 67 181.578 -3.481 9.014 1.00 0.00 C ATOM 1024 O GLU A 67 182.635 -3.841 8.496 1.00 0.00 O ATOM 1025 CB GLU A 67 182.791 -1.703 10.305 1.00 0.00 C ATOM 1026 CG GLU A 67 183.313 -2.715 11.312 1.00 0.00 C ATOM 1027 CD GLU A 67 184.779 -2.508 11.638 1.00 0.00 C ATOM 1028 OE1 GLU A 67 185.139 -1.394 12.073 1.00 0.00 O ATOM 1029 OE2 GLU A 67 185.567 -3.460 11.458 1.00 0.00 O ATOM 0 H GLU A 67 179.779 -1.237 10.577 1.00 0.00 H new ATOM 0 HA GLU A 67 181.210 -1.384 8.877 1.00 0.00 H new ATOM 0 HB2 GLU A 67 183.536 -1.568 9.521 1.00 0.00 H new ATOM 0 HB3 GLU A 67 182.672 -0.740 10.801 1.00 0.00 H new ATOM 0 HG2 GLU A 67 182.727 -2.646 12.229 1.00 0.00 H new ATOM 0 HG3 GLU A 67 183.171 -3.721 10.918 1.00 0.00 H new ATOM 1036 N GLU A 68 180.493 -4.253 9.051 1.00 0.00 N ATOM 1037 CA GLU A 68 180.482 -5.590 8.475 1.00 0.00 C ATOM 1038 C GLU A 68 179.193 -5.852 7.698 1.00 0.00 C ATOM 1039 O GLU A 68 178.895 -6.993 7.343 1.00 0.00 O ATOM 1040 CB GLU A 68 180.631 -6.623 9.587 1.00 0.00 C ATOM 1041 CG GLU A 68 181.909 -6.458 10.387 1.00 0.00 C ATOM 1042 CD GLU A 68 181.786 -6.987 11.802 1.00 0.00 C ATOM 1043 OE1 GLU A 68 181.363 -8.151 11.966 1.00 0.00 O ATOM 1044 OE2 GLU A 68 182.112 -6.238 12.747 1.00 0.00 O ATOM 0 H GLU A 68 179.609 -3.971 9.476 1.00 0.00 H new ATOM 0 HA GLU A 68 181.317 -5.669 7.778 1.00 0.00 H new ATOM 0 HB2 GLU A 68 179.777 -6.549 10.260 1.00 0.00 H new ATOM 0 HB3 GLU A 68 180.609 -7.622 9.152 1.00 0.00 H new ATOM 0 HG2 GLU A 68 182.721 -6.978 9.878 1.00 0.00 H new ATOM 0 HG3 GLU A 68 182.178 -5.402 10.420 1.00 0.00 H new ATOM 1051 N TYR A 69 178.430 -4.794 7.434 1.00 0.00 N ATOM 1052 CA TYR A 69 177.178 -4.924 6.698 1.00 0.00 C ATOM 1053 C TYR A 69 176.928 -3.695 5.833 1.00 0.00 C ATOM 1054 O TYR A 69 177.307 -2.581 6.195 1.00 0.00 O ATOM 1055 CB TYR A 69 176.011 -5.129 7.664 1.00 0.00 C ATOM 1056 CG TYR A 69 175.855 -6.561 8.121 1.00 0.00 C ATOM 1057 CD1 TYR A 69 176.620 -7.065 9.165 1.00 0.00 C ATOM 1058 CD2 TYR A 69 174.945 -7.409 7.506 1.00 0.00 C ATOM 1059 CE1 TYR A 69 176.482 -8.374 9.583 1.00 0.00 C ATOM 1060 CE2 TYR A 69 174.800 -8.719 7.918 1.00 0.00 C ATOM 1061 CZ TYR A 69 175.570 -9.197 8.957 1.00 0.00 C ATOM 1062 OH TYR A 69 175.429 -10.502 9.370 1.00 0.00 O ATOM 0 H TYR A 69 178.657 -3.841 7.718 1.00 0.00 H new ATOM 0 HA TYR A 69 177.257 -5.795 6.047 1.00 0.00 H new ATOM 0 HB2 TYR A 69 176.154 -4.491 8.536 1.00 0.00 H new ATOM 0 HB3 TYR A 69 175.088 -4.807 7.181 1.00 0.00 H new ATOM 0 HD1 TYR A 69 177.335 -6.423 9.658 1.00 0.00 H new ATOM 0 HD2 TYR A 69 174.340 -7.038 6.692 1.00 0.00 H new ATOM 0 HE1 TYR A 69 177.085 -8.751 10.396 1.00 0.00 H new ATOM 0 HE2 TYR A 69 174.087 -9.366 7.429 1.00 0.00 H new ATOM 0 HH TYR A 69 174.745 -10.945 8.826 1.00 0.00 H new ATOM 1072 N ALA A 70 176.291 -3.905 4.687 1.00 0.00 N ATOM 1073 CA ALA A 70 175.995 -2.813 3.771 1.00 0.00 C ATOM 1074 C ALA A 70 174.643 -2.190 4.087 1.00 0.00 C ATOM 1075 O ALA A 70 173.600 -2.823 3.919 1.00 0.00 O ATOM 1076 CB ALA A 70 176.035 -3.304 2.332 1.00 0.00 C ATOM 0 H ALA A 70 175.970 -4.820 4.371 1.00 0.00 H new ATOM 0 HA ALA A 70 176.758 -2.045 3.897 1.00 0.00 H new ATOM 0 HB1 ALA A 70 175.812 -2.476 1.659 1.00 0.00 H new ATOM 0 HB2 ALA A 70 177.027 -3.696 2.109 1.00 0.00 H new ATOM 0 HB3 ALA A 70 175.295 -4.092 2.196 1.00 0.00 H new ATOM 1082 N GLU A 71 174.669 -0.947 4.550 1.00 0.00 N ATOM 1083 CA GLU A 71 173.448 -0.234 4.897 1.00 0.00 C ATOM 1084 C GLU A 71 172.985 0.637 3.735 1.00 0.00 C ATOM 1085 O GLU A 71 173.704 1.531 3.291 1.00 0.00 O ATOM 1086 CB GLU A 71 173.685 0.629 6.145 1.00 0.00 C ATOM 1087 CG GLU A 71 172.432 0.936 6.962 1.00 0.00 C ATOM 1088 CD GLU A 71 171.189 1.097 6.107 1.00 0.00 C ATOM 1089 OE1 GLU A 71 171.199 1.961 5.208 1.00 0.00 O ATOM 1090 OE2 GLU A 71 170.207 0.361 6.339 1.00 0.00 O ATOM 0 H GLU A 71 175.525 -0.411 4.694 1.00 0.00 H new ATOM 0 HA GLU A 71 172.667 -0.964 5.110 1.00 0.00 H new ATOM 0 HB2 GLU A 71 174.405 0.122 6.788 1.00 0.00 H new ATOM 0 HB3 GLU A 71 174.140 1.570 5.837 1.00 0.00 H new ATOM 0 HG2 GLU A 71 172.269 0.134 7.682 1.00 0.00 H new ATOM 0 HG3 GLU A 71 172.593 1.850 7.534 1.00 0.00 H new ATOM 1097 N VAL A 72 171.779 0.372 3.245 1.00 0.00 N ATOM 1098 CA VAL A 72 171.226 1.135 2.134 1.00 0.00 C ATOM 1099 C VAL A 72 169.931 1.832 2.538 1.00 0.00 C ATOM 1100 O VAL A 72 169.051 1.231 3.152 1.00 0.00 O ATOM 1101 CB VAL A 72 170.983 0.236 0.898 1.00 0.00 C ATOM 1102 CG1 VAL A 72 169.783 0.709 0.084 1.00 0.00 C ATOM 1103 CG2 VAL A 72 172.229 0.199 0.031 1.00 0.00 C ATOM 0 H VAL A 72 171.168 -0.364 3.599 1.00 0.00 H new ATOM 0 HA VAL A 72 171.961 1.894 1.866 1.00 0.00 H new ATOM 0 HB VAL A 72 170.761 -0.770 1.253 1.00 0.00 H new ATOM 0 HG11 VAL A 72 169.645 0.053 -0.775 1.00 0.00 H new ATOM 0 HG12 VAL A 72 168.889 0.685 0.707 1.00 0.00 H new ATOM 0 HG13 VAL A 72 169.957 1.728 -0.262 1.00 0.00 H new ATOM 0 HG21 VAL A 72 172.050 -0.436 -0.837 1.00 0.00 H new ATOM 0 HG22 VAL A 72 172.471 1.208 -0.302 1.00 0.00 H new ATOM 0 HG23 VAL A 72 173.062 -0.202 0.608 1.00 0.00 H new ATOM 1113 N TRP A 73 169.825 3.101 2.168 1.00 0.00 N ATOM 1114 CA TRP A 73 168.642 3.900 2.466 1.00 0.00 C ATOM 1115 C TRP A 73 168.048 4.440 1.171 1.00 0.00 C ATOM 1116 O TRP A 73 168.696 5.214 0.467 1.00 0.00 O ATOM 1117 CB TRP A 73 169.006 5.069 3.388 1.00 0.00 C ATOM 1118 CG TRP A 73 168.934 4.726 4.843 1.00 0.00 C ATOM 1119 CD1 TRP A 73 169.010 3.481 5.389 1.00 0.00 C ATOM 1120 CD2 TRP A 73 168.772 5.635 5.939 1.00 0.00 C ATOM 1121 NE1 TRP A 73 168.901 3.554 6.754 1.00 0.00 N ATOM 1122 CE2 TRP A 73 168.755 4.865 7.117 1.00 0.00 C ATOM 1123 CE3 TRP A 73 168.639 7.022 6.040 1.00 0.00 C ATOM 1124 CZ2 TRP A 73 168.610 5.433 8.377 1.00 0.00 C ATOM 1125 CZ3 TRP A 73 168.496 7.587 7.294 1.00 0.00 C ATOM 1126 CH2 TRP A 73 168.482 6.793 8.448 1.00 0.00 C ATOM 0 H TRP A 73 170.550 3.604 1.656 1.00 0.00 H new ATOM 0 HA TRP A 73 167.910 3.268 2.969 1.00 0.00 H new ATOM 0 HB2 TRP A 73 170.015 5.407 3.152 1.00 0.00 H new ATOM 0 HB3 TRP A 73 168.335 5.904 3.186 1.00 0.00 H new ATOM 0 HD1 TRP A 73 169.138 2.567 4.828 1.00 0.00 H new ATOM 0 HE1 TRP A 73 168.925 2.760 7.394 1.00 0.00 H new ATOM 0 HE3 TRP A 73 168.648 7.641 5.155 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 168.599 4.823 9.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 168.393 8.658 7.385 1.00 0.00 H new ATOM 0 HH2 TRP A 73 168.368 7.264 9.413 1.00 0.00 H new ATOM 1137 N VAL A 74 166.821 4.041 0.851 1.00 0.00 N ATOM 1138 CA VAL A 74 166.169 4.504 -0.367 1.00 0.00 C ATOM 1139 C VAL A 74 164.951 5.356 -0.032 1.00 0.00 C ATOM 1140 O VAL A 74 163.936 4.846 0.439 1.00 0.00 O ATOM 1141 CB VAL A 74 165.734 3.318 -1.254 1.00 0.00 C ATOM 1142 CG1 VAL A 74 164.855 3.793 -2.403 1.00 0.00 C ATOM 1143 CG2 VAL A 74 166.953 2.570 -1.774 1.00 0.00 C ATOM 0 H VAL A 74 166.261 3.402 1.415 1.00 0.00 H new ATOM 0 HA VAL A 74 166.893 5.106 -0.917 1.00 0.00 H new ATOM 0 HB VAL A 74 165.145 2.632 -0.646 1.00 0.00 H new ATOM 0 HG11 VAL A 74 164.561 2.939 -3.014 1.00 0.00 H new ATOM 0 HG12 VAL A 74 163.964 4.277 -2.003 1.00 0.00 H new ATOM 0 HG13 VAL A 74 165.410 4.504 -3.016 1.00 0.00 H new ATOM 0 HG21 VAL A 74 166.630 1.737 -2.398 1.00 0.00 H new ATOM 0 HG22 VAL A 74 167.571 3.247 -2.364 1.00 0.00 H new ATOM 0 HG23 VAL A 74 167.533 2.190 -0.933 1.00 0.00 H new ATOM 1153 N GLY A 75 165.071 6.658 -0.258 1.00 0.00 N ATOM 1154 CA GLY A 75 163.976 7.559 0.051 1.00 0.00 C ATOM 1155 C GLY A 75 163.635 8.521 -1.070 1.00 0.00 C ATOM 1156 O GLY A 75 163.555 8.134 -2.236 1.00 0.00 O ATOM 0 H GLY A 75 165.901 7.105 -0.647 1.00 0.00 H new ATOM 0 HA2 GLY A 75 163.091 6.970 0.292 1.00 0.00 H new ATOM 0 HA3 GLY A 75 164.231 8.132 0.943 1.00 0.00 H new ATOM 1160 N LEU A 76 163.439 9.784 -0.700 1.00 0.00 N ATOM 1161 CA LEU A 76 163.102 10.841 -1.659 1.00 0.00 C ATOM 1162 C LEU A 76 163.857 12.119 -1.298 1.00 0.00 C ATOM 1163 O LEU A 76 163.781 12.591 -0.164 1.00 0.00 O ATOM 1164 CB LEU A 76 161.580 11.115 -1.681 1.00 0.00 C ATOM 1165 CG LEU A 76 160.869 10.832 -3.010 1.00 0.00 C ATOM 1166 CD1 LEU A 76 161.242 9.460 -3.547 1.00 0.00 C ATOM 1167 CD2 LEU A 76 159.358 10.944 -2.840 1.00 0.00 C ATOM 0 H LEU A 76 163.508 10.106 0.266 1.00 0.00 H new ATOM 0 HA LEU A 76 163.397 10.508 -2.654 1.00 0.00 H new ATOM 0 HB2 LEU A 76 161.110 10.512 -0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 76 161.414 12.160 -1.417 1.00 0.00 H new ATOM 0 HG LEU A 76 161.196 11.579 -3.734 1.00 0.00 H new ATOM 0 HD11 LEU A 76 160.724 9.285 -4.490 1.00 0.00 H new ATOM 0 HD12 LEU A 76 162.319 9.414 -3.711 1.00 0.00 H new ATOM 0 HD13 LEU A 76 160.951 8.696 -2.826 1.00 0.00 H new ATOM 0 HD21 LEU A 76 158.869 10.740 -3.792 1.00 0.00 H new ATOM 0 HD22 LEU A 76 159.021 10.221 -2.097 1.00 0.00 H new ATOM 0 HD23 LEU A 76 159.103 11.951 -2.509 1.00 0.00 H new ATOM 1179 N VAL A 77 164.593 12.670 -2.258 1.00 0.00 N ATOM 1180 CA VAL A 77 165.366 13.885 -2.017 1.00 0.00 C ATOM 1181 C VAL A 77 164.850 15.055 -2.848 1.00 0.00 C ATOM 1182 O VAL A 77 163.946 14.900 -3.667 1.00 0.00 O ATOM 1183 CB VAL A 77 166.860 13.672 -2.325 1.00 0.00 C ATOM 1184 CG1 VAL A 77 167.434 12.566 -1.453 1.00 0.00 C ATOM 1185 CG2 VAL A 77 167.067 13.359 -3.800 1.00 0.00 C ATOM 0 H VAL A 77 164.671 12.298 -3.205 1.00 0.00 H new ATOM 0 HA VAL A 77 165.247 14.121 -0.960 1.00 0.00 H new ATOM 0 HB VAL A 77 167.391 14.596 -2.097 1.00 0.00 H new ATOM 0 HG11 VAL A 77 168.490 12.431 -1.685 1.00 0.00 H new ATOM 0 HG12 VAL A 77 167.325 12.837 -0.403 1.00 0.00 H new ATOM 0 HG13 VAL A 77 166.898 11.636 -1.645 1.00 0.00 H new ATOM 0 HG21 VAL A 77 168.129 13.212 -3.995 1.00 0.00 H new ATOM 0 HG22 VAL A 77 166.522 12.452 -4.059 1.00 0.00 H new ATOM 0 HG23 VAL A 77 166.698 14.189 -4.403 1.00 0.00 H new ATOM 1195 N ASN A 78 165.438 16.227 -2.628 1.00 0.00 N ATOM 1196 CA ASN A 78 165.047 17.430 -3.353 1.00 0.00 C ATOM 1197 C ASN A 78 166.074 17.768 -4.432 1.00 0.00 C ATOM 1198 O ASN A 78 166.901 16.933 -4.797 1.00 0.00 O ATOM 1199 CB ASN A 78 164.896 18.606 -2.383 1.00 0.00 C ATOM 1200 CG ASN A 78 164.100 18.238 -1.146 1.00 0.00 C ATOM 1201 OD1 ASN A 78 162.874 18.136 -1.190 1.00 0.00 O ATOM 1202 ND2 ASN A 78 164.796 18.037 -0.033 1.00 0.00 N ATOM 0 H ASN A 78 166.188 16.369 -1.952 1.00 0.00 H new ATOM 0 HA ASN A 78 164.088 17.243 -3.836 1.00 0.00 H new ATOM 0 HB2 ASN A 78 165.884 18.956 -2.085 1.00 0.00 H new ATOM 0 HB3 ASN A 78 164.405 19.434 -2.894 1.00 0.00 H new ATOM 0 HD21 ASN A 78 164.315 17.787 0.831 1.00 0.00 H new ATOM 0 HD22 ASN A 78 165.811 18.132 -0.042 1.00 0.00 H new ATOM 1209 N GLU A 79 166.015 18.996 -4.939 1.00 0.00 N ATOM 1210 CA GLU A 79 166.941 19.439 -5.976 1.00 0.00 C ATOM 1211 C GLU A 79 168.301 19.819 -5.387 1.00 0.00 C ATOM 1212 O GLU A 79 169.226 20.164 -6.122 1.00 0.00 O ATOM 1213 CB GLU A 79 166.354 20.631 -6.733 1.00 0.00 C ATOM 1214 CG GLU A 79 165.852 21.742 -5.825 1.00 0.00 C ATOM 1215 CD GLU A 79 166.259 23.120 -6.309 1.00 0.00 C ATOM 1216 OE1 GLU A 79 167.336 23.238 -6.930 1.00 0.00 O ATOM 1217 OE2 GLU A 79 165.500 24.082 -6.067 1.00 0.00 O ATOM 0 H GLU A 79 165.337 19.701 -4.649 1.00 0.00 H new ATOM 0 HA GLU A 79 167.090 18.608 -6.665 1.00 0.00 H new ATOM 0 HB2 GLU A 79 167.114 21.035 -7.402 1.00 0.00 H new ATOM 0 HB3 GLU A 79 165.531 20.284 -7.358 1.00 0.00 H new ATOM 0 HG2 GLU A 79 164.765 21.690 -5.760 1.00 0.00 H new ATOM 0 HG3 GLU A 79 166.239 21.586 -4.818 1.00 0.00 H new ATOM 1224 N GLN A 80 168.418 19.756 -4.063 1.00 0.00 N ATOM 1225 CA GLN A 80 169.668 20.098 -3.391 1.00 0.00 C ATOM 1226 C GLN A 80 170.474 18.847 -3.037 1.00 0.00 C ATOM 1227 O GLN A 80 171.598 18.947 -2.545 1.00 0.00 O ATOM 1228 CB GLN A 80 169.383 20.906 -2.124 1.00 0.00 C ATOM 1229 CG GLN A 80 168.351 20.261 -1.213 1.00 0.00 C ATOM 1230 CD GLN A 80 168.364 20.845 0.186 1.00 0.00 C ATOM 1231 OE1 GLN A 80 167.432 21.541 0.589 1.00 0.00 O ATOM 1232 NE2 GLN A 80 169.424 20.564 0.935 1.00 0.00 N ATOM 0 H GLN A 80 167.665 19.472 -3.436 1.00 0.00 H new ATOM 0 HA GLN A 80 170.261 20.700 -4.080 1.00 0.00 H new ATOM 0 HB2 GLN A 80 170.313 21.039 -1.570 1.00 0.00 H new ATOM 0 HB3 GLN A 80 169.036 21.900 -2.407 1.00 0.00 H new ATOM 0 HG2 GLN A 80 167.359 20.388 -1.647 1.00 0.00 H new ATOM 0 HG3 GLN A 80 168.540 19.189 -1.157 1.00 0.00 H new ATOM 0 HE21 GLN A 80 170.174 19.983 0.560 1.00 0.00 H new ATOM 0 HE22 GLN A 80 169.488 20.929 1.885 1.00 0.00 H new ATOM 1241 N ASP A 81 169.896 17.673 -3.282 1.00 0.00 N ATOM 1242 CA ASP A 81 170.567 16.412 -2.980 1.00 0.00 C ATOM 1243 C ASP A 81 170.776 16.260 -1.477 1.00 0.00 C ATOM 1244 O ASP A 81 171.744 16.775 -0.918 1.00 0.00 O ATOM 1245 CB ASP A 81 171.911 16.332 -3.709 1.00 0.00 C ATOM 1246 CG ASP A 81 171.809 15.597 -5.031 1.00 0.00 C ATOM 1247 OD1 ASP A 81 171.180 16.138 -5.964 1.00 0.00 O ATOM 1248 OD2 ASP A 81 172.358 14.480 -5.133 1.00 0.00 O ATOM 0 H ASP A 81 168.966 17.569 -3.688 1.00 0.00 H new ATOM 0 HA ASP A 81 169.931 15.597 -3.326 1.00 0.00 H new ATOM 0 HB2 ASP A 81 172.286 17.340 -3.885 1.00 0.00 H new ATOM 0 HB3 ASP A 81 172.638 15.828 -3.071 1.00 0.00 H new ATOM 1253 N GLU A 82 169.857 15.552 -0.829 1.00 0.00 N ATOM 1254 CA GLU A 82 169.932 15.333 0.611 1.00 0.00 C ATOM 1255 C GLU A 82 169.520 13.900 0.964 1.00 0.00 C ATOM 1256 O GLU A 82 169.736 12.978 0.178 1.00 0.00 O ATOM 1257 CB GLU A 82 169.045 16.349 1.337 1.00 0.00 C ATOM 1258 CG GLU A 82 169.626 16.829 2.658 1.00 0.00 C ATOM 1259 CD GLU A 82 168.632 16.743 3.799 1.00 0.00 C ATOM 1260 OE1 GLU A 82 167.733 17.607 3.869 1.00 0.00 O ATOM 1261 OE2 GLU A 82 168.753 15.813 4.624 1.00 0.00 O ATOM 0 H GLU A 82 169.050 15.119 -1.279 1.00 0.00 H new ATOM 0 HA GLU A 82 170.963 15.473 0.935 1.00 0.00 H new ATOM 0 HB2 GLU A 82 168.884 17.209 0.687 1.00 0.00 H new ATOM 0 HB3 GLU A 82 168.068 15.901 1.520 1.00 0.00 H new ATOM 0 HG2 GLU A 82 170.505 16.233 2.902 1.00 0.00 H new ATOM 0 HG3 GLU A 82 169.961 17.861 2.550 1.00 0.00 H new ATOM 1268 N MET A 83 168.923 13.717 2.142 1.00 0.00 N ATOM 1269 CA MET A 83 168.483 12.396 2.579 1.00 0.00 C ATOM 1270 C MET A 83 167.801 12.474 3.942 1.00 0.00 C ATOM 1271 O MET A 83 168.225 11.826 4.899 1.00 0.00 O ATOM 1272 CB MET A 83 169.668 11.429 2.641 1.00 0.00 C ATOM 1273 CG MET A 83 169.278 9.977 2.416 1.00 0.00 C ATOM 1274 SD MET A 83 168.899 9.619 0.690 1.00 0.00 S ATOM 1275 CE MET A 83 167.372 8.699 0.862 1.00 0.00 C ATOM 0 H MET A 83 168.734 14.466 2.808 1.00 0.00 H new ATOM 0 HA MET A 83 167.762 12.024 1.852 1.00 0.00 H new ATOM 0 HB2 MET A 83 170.404 11.720 1.891 1.00 0.00 H new ATOM 0 HB3 MET A 83 170.151 11.521 3.614 1.00 0.00 H new ATOM 0 HG2 MET A 83 170.091 9.331 2.747 1.00 0.00 H new ATOM 0 HG3 MET A 83 168.411 9.738 3.031 1.00 0.00 H new ATOM 0 HE1 MET A 83 166.666 9.019 0.095 1.00 0.00 H new ATOM 0 HE2 MET A 83 167.574 7.634 0.748 1.00 0.00 H new ATOM 0 HE3 MET A 83 166.945 8.883 1.848 1.00 0.00 H new ATOM 1285 N ASP A 84 166.740 13.271 4.022 1.00 0.00 N ATOM 1286 CA ASP A 84 165.998 13.433 5.267 1.00 0.00 C ATOM 1287 C ASP A 84 164.657 12.701 5.216 1.00 0.00 C ATOM 1288 O ASP A 84 163.889 12.732 6.178 1.00 0.00 O ATOM 1289 CB ASP A 84 165.767 14.917 5.555 1.00 0.00 C ATOM 1290 CG ASP A 84 164.990 15.606 4.450 1.00 0.00 C ATOM 1291 OD1 ASP A 84 165.625 16.071 3.480 1.00 0.00 O ATOM 1292 OD2 ASP A 84 163.748 15.681 4.555 1.00 0.00 O ATOM 0 H ASP A 84 166.375 13.814 3.240 1.00 0.00 H new ATOM 0 HA ASP A 84 166.594 12.997 6.069 1.00 0.00 H new ATOM 0 HB2 ASP A 84 165.226 15.022 6.496 1.00 0.00 H new ATOM 0 HB3 ASP A 84 166.729 15.414 5.683 1.00 0.00 H new ATOM 1297 N ASP A 85 164.377 12.044 4.092 1.00 0.00 N ATOM 1298 CA ASP A 85 163.127 11.312 3.929 1.00 0.00 C ATOM 1299 C ASP A 85 163.379 9.924 3.347 1.00 0.00 C ATOM 1300 O ASP A 85 163.300 9.726 2.135 1.00 0.00 O ATOM 1301 CB ASP A 85 162.168 12.093 3.027 1.00 0.00 C ATOM 1302 CG ASP A 85 160.987 12.658 3.792 1.00 0.00 C ATOM 1303 OD1 ASP A 85 160.578 12.037 4.796 1.00 0.00 O ATOM 1304 OD2 ASP A 85 160.471 13.721 3.387 1.00 0.00 O ATOM 0 H ASP A 85 164.998 12.005 3.284 1.00 0.00 H new ATOM 0 HA ASP A 85 162.673 11.194 4.913 1.00 0.00 H new ATOM 0 HB2 ASP A 85 162.709 12.908 2.545 1.00 0.00 H new ATOM 0 HB3 ASP A 85 161.805 11.439 2.234 1.00 0.00 H new ATOM 1309 N VAL A 86 163.677 8.968 4.220 1.00 0.00 N ATOM 1310 CA VAL A 86 163.937 7.596 3.793 1.00 0.00 C ATOM 1311 C VAL A 86 162.645 6.781 3.770 1.00 0.00 C ATOM 1312 O VAL A 86 161.834 6.854 4.694 1.00 0.00 O ATOM 1313 CB VAL A 86 164.979 6.900 4.704 1.00 0.00 C ATOM 1314 CG1 VAL A 86 164.725 7.227 6.167 1.00 0.00 C ATOM 1315 CG2 VAL A 86 164.988 5.392 4.479 1.00 0.00 C ATOM 0 H VAL A 86 163.745 9.117 5.227 1.00 0.00 H new ATOM 0 HA VAL A 86 164.346 7.646 2.784 1.00 0.00 H new ATOM 0 HB VAL A 86 165.964 7.283 4.436 1.00 0.00 H new ATOM 0 HG11 VAL A 86 165.470 6.727 6.786 1.00 0.00 H new ATOM 0 HG12 VAL A 86 164.794 8.305 6.316 1.00 0.00 H new ATOM 0 HG13 VAL A 86 163.729 6.884 6.449 1.00 0.00 H new ATOM 0 HG21 VAL A 86 165.729 4.931 5.132 1.00 0.00 H new ATOM 0 HG22 VAL A 86 164.002 4.985 4.704 1.00 0.00 H new ATOM 0 HG23 VAL A 86 165.239 5.181 3.440 1.00 0.00 H new ATOM 1325 N PHE A 87 162.463 6.009 2.703 1.00 0.00 N ATOM 1326 CA PHE A 87 161.273 5.181 2.546 1.00 0.00 C ATOM 1327 C PHE A 87 161.498 3.785 3.119 1.00 0.00 C ATOM 1328 O PHE A 87 160.684 3.280 3.892 1.00 0.00 O ATOM 1329 CB PHE A 87 160.901 5.071 1.067 1.00 0.00 C ATOM 1330 CG PHE A 87 159.948 6.131 0.599 1.00 0.00 C ATOM 1331 CD1 PHE A 87 160.373 7.437 0.413 1.00 0.00 C ATOM 1332 CD2 PHE A 87 158.627 5.818 0.336 1.00 0.00 C ATOM 1333 CE1 PHE A 87 159.497 8.409 -0.028 1.00 0.00 C ATOM 1334 CE2 PHE A 87 157.746 6.786 -0.102 1.00 0.00 C ATOM 1335 CZ PHE A 87 158.182 8.084 -0.285 1.00 0.00 C ATOM 0 H PHE A 87 163.127 5.940 1.932 1.00 0.00 H new ATOM 0 HA PHE A 87 160.458 5.655 3.093 1.00 0.00 H new ATOM 0 HB2 PHE A 87 161.811 5.124 0.469 1.00 0.00 H new ATOM 0 HB3 PHE A 87 160.457 4.092 0.886 1.00 0.00 H new ATOM 0 HD1 PHE A 87 161.401 7.698 0.615 1.00 0.00 H new ATOM 0 HD2 PHE A 87 158.281 4.805 0.475 1.00 0.00 H new ATOM 0 HE1 PHE A 87 159.841 9.422 -0.171 1.00 0.00 H new ATOM 0 HE2 PHE A 87 156.716 6.529 -0.302 1.00 0.00 H new ATOM 0 HZ PHE A 87 157.494 8.843 -0.629 1.00 0.00 H new ATOM 1345 N ALA A 88 162.607 3.168 2.727 1.00 0.00 N ATOM 1346 CA ALA A 88 162.949 1.829 3.188 1.00 0.00 C ATOM 1347 C ALA A 88 164.459 1.665 3.276 1.00 0.00 C ATOM 1348 O ALA A 88 165.187 2.140 2.404 1.00 0.00 O ATOM 1349 CB ALA A 88 162.361 0.791 2.246 1.00 0.00 C ATOM 0 H ALA A 88 163.288 3.577 2.087 1.00 0.00 H new ATOM 0 HA ALA A 88 162.529 1.683 4.183 1.00 0.00 H new ATOM 0 HB1 ALA A 88 162.621 -0.208 2.597 1.00 0.00 H new ATOM 0 HB2 ALA A 88 161.276 0.896 2.220 1.00 0.00 H new ATOM 0 HB3 ALA A 88 162.764 0.939 1.244 1.00 0.00 H new ATOM 1355 N LYS A 89 164.942 1.006 4.328 1.00 0.00 N ATOM 1356 CA LYS A 89 166.376 0.806 4.510 1.00 0.00 C ATOM 1357 C LYS A 89 166.735 -0.674 4.364 1.00 0.00 C ATOM 1358 O LYS A 89 166.069 -1.538 4.928 1.00 0.00 O ATOM 1359 CB LYS A 89 166.800 1.319 5.896 1.00 0.00 C ATOM 1360 CG LYS A 89 166.064 2.585 6.341 1.00 0.00 C ATOM 1361 CD LYS A 89 165.853 2.614 7.847 1.00 0.00 C ATOM 1362 CE LYS A 89 164.429 3.007 8.214 1.00 0.00 C ATOM 1363 NZ LYS A 89 163.433 1.996 7.765 1.00 0.00 N ATOM 0 H LYS A 89 164.362 0.603 5.064 1.00 0.00 H new ATOM 0 HA LYS A 89 166.909 1.366 3.742 1.00 0.00 H new ATOM 0 HB2 LYS A 89 166.628 0.533 6.632 1.00 0.00 H new ATOM 0 HB3 LYS A 89 167.872 1.518 5.887 1.00 0.00 H new ATOM 0 HG2 LYS A 89 166.634 3.463 6.037 1.00 0.00 H new ATOM 0 HG3 LYS A 89 165.099 2.641 5.837 1.00 0.00 H new ATOM 0 HD2 LYS A 89 166.077 1.632 8.264 1.00 0.00 H new ATOM 0 HD3 LYS A 89 166.552 3.319 8.298 1.00 0.00 H new ATOM 0 HE2 LYS A 89 164.355 3.132 9.294 1.00 0.00 H new ATOM 0 HE3 LYS A 89 164.193 3.972 7.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 162.481 2.414 7.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 163.658 1.694 6.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 163.464 1.173 8.400 1.00 0.00 H new ATOM 1377 N PHE A 90 167.773 -0.959 3.581 1.00 0.00 N ATOM 1378 CA PHE A 90 168.196 -2.338 3.338 1.00 0.00 C ATOM 1379 C PHE A 90 169.534 -2.657 4.006 1.00 0.00 C ATOM 1380 O PHE A 90 170.421 -1.807 4.085 1.00 0.00 O ATOM 1381 CB PHE A 90 168.308 -2.592 1.830 1.00 0.00 C ATOM 1382 CG PHE A 90 167.080 -2.211 1.047 1.00 0.00 C ATOM 1383 CD1 PHE A 90 166.638 -0.896 1.011 1.00 0.00 C ATOM 1384 CD2 PHE A 90 166.369 -3.169 0.343 1.00 0.00 C ATOM 1385 CE1 PHE A 90 165.512 -0.548 0.292 1.00 0.00 C ATOM 1386 CE2 PHE A 90 165.241 -2.826 -0.379 1.00 0.00 C ATOM 1387 CZ PHE A 90 164.812 -1.514 -0.403 1.00 0.00 C ATOM 0 H PHE A 90 168.337 -0.255 3.104 1.00 0.00 H new ATOM 0 HA PHE A 90 167.440 -2.990 3.775 1.00 0.00 H new ATOM 0 HB2 PHE A 90 169.160 -2.035 1.441 1.00 0.00 H new ATOM 0 HB3 PHE A 90 168.517 -3.649 1.665 1.00 0.00 H new ATOM 0 HD1 PHE A 90 167.182 -0.136 1.552 1.00 0.00 H new ATOM 0 HD2 PHE A 90 166.700 -4.197 0.358 1.00 0.00 H new ATOM 0 HE1 PHE A 90 165.179 0.479 0.273 1.00 0.00 H new ATOM 0 HE2 PHE A 90 164.696 -3.583 -0.923 1.00 0.00 H new ATOM 0 HZ PHE A 90 163.930 -1.244 -0.965 1.00 0.00 H new ATOM 1397 N LEU A 91 169.674 -3.903 4.463 1.00 0.00 N ATOM 1398 CA LEU A 91 170.908 -4.362 5.102 1.00 0.00 C ATOM 1399 C LEU A 91 171.407 -5.638 4.428 1.00 0.00 C ATOM 1400 O LEU A 91 170.838 -6.708 4.630 1.00 0.00 O ATOM 1401 CB LEU A 91 170.686 -4.637 6.591 1.00 0.00 C ATOM 1402 CG LEU A 91 170.393 -3.409 7.455 1.00 0.00 C ATOM 1403 CD1 LEU A 91 170.101 -3.826 8.891 1.00 0.00 C ATOM 1404 CD2 LEU A 91 171.562 -2.435 7.410 1.00 0.00 C ATOM 0 H LEU A 91 168.945 -4.614 4.402 1.00 0.00 H new ATOM 0 HA LEU A 91 171.652 -3.573 4.995 1.00 0.00 H new ATOM 0 HB2 LEU A 91 169.856 -5.337 6.693 1.00 0.00 H new ATOM 0 HB3 LEU A 91 171.572 -5.134 6.986 1.00 0.00 H new ATOM 0 HG LEU A 91 169.511 -2.908 7.055 1.00 0.00 H new ATOM 0 HD11 LEU A 91 169.895 -2.941 9.492 1.00 0.00 H new ATOM 0 HD12 LEU A 91 169.234 -4.487 8.909 1.00 0.00 H new ATOM 0 HD13 LEU A 91 170.965 -4.349 9.301 1.00 0.00 H new ATOM 0 HD21 LEU A 91 171.337 -1.567 8.030 1.00 0.00 H new ATOM 0 HD22 LEU A 91 172.460 -2.926 7.786 1.00 0.00 H new ATOM 0 HD23 LEU A 91 171.728 -2.113 6.382 1.00 0.00 H new ATOM 1416 N ILE A 92 172.465 -5.525 3.628 1.00 0.00 N ATOM 1417 CA ILE A 92 173.015 -6.690 2.930 1.00 0.00 C ATOM 1418 C ILE A 92 174.368 -7.109 3.501 1.00 0.00 C ATOM 1419 O ILE A 92 175.285 -6.297 3.620 1.00 0.00 O ATOM 1420 CB ILE A 92 173.172 -6.443 1.408 1.00 0.00 C ATOM 1421 CG1 ILE A 92 173.470 -4.964 1.116 1.00 0.00 C ATOM 1422 CG2 ILE A 92 171.927 -6.912 0.665 1.00 0.00 C ATOM 1423 CD1 ILE A 92 172.254 -4.156 0.721 1.00 0.00 C ATOM 0 H ILE A 92 172.956 -4.649 3.447 1.00 0.00 H new ATOM 0 HA ILE A 92 172.293 -7.492 3.085 1.00 0.00 H new ATOM 0 HB ILE A 92 174.022 -7.024 1.051 1.00 0.00 H new ATOM 0 HG12 ILE A 92 173.921 -4.514 2.000 1.00 0.00 H new ATOM 0 HG13 ILE A 92 174.208 -4.904 0.316 1.00 0.00 H new ATOM 0 HG21 ILE A 92 172.051 -6.732 -0.403 1.00 0.00 H new ATOM 0 HG22 ILE A 92 171.779 -7.978 0.839 1.00 0.00 H new ATOM 0 HG23 ILE A 92 171.058 -6.362 1.027 1.00 0.00 H new ATOM 0 HD11 ILE A 92 172.549 -3.124 0.532 1.00 0.00 H new ATOM 0 HD12 ILE A 92 171.814 -4.579 -0.182 1.00 0.00 H new ATOM 0 HD13 ILE A 92 171.522 -4.182 1.528 1.00 0.00 H new ATOM 1435 N SER A 93 174.479 -8.389 3.850 1.00 0.00 N ATOM 1436 CA SER A 93 175.715 -8.933 4.409 1.00 0.00 C ATOM 1437 C SER A 93 176.856 -8.867 3.395 1.00 0.00 C ATOM 1438 O SER A 93 176.947 -9.700 2.493 1.00 0.00 O ATOM 1439 CB SER A 93 175.503 -10.381 4.855 1.00 0.00 C ATOM 1440 OG SER A 93 174.132 -10.645 5.102 1.00 0.00 O ATOM 0 H SER A 93 173.726 -9.070 3.755 1.00 0.00 H new ATOM 0 HA SER A 93 175.987 -8.325 5.272 1.00 0.00 H new ATOM 0 HB2 SER A 93 175.874 -11.059 4.087 1.00 0.00 H new ATOM 0 HB3 SER A 93 176.082 -10.575 5.758 1.00 0.00 H new ATOM 0 HG SER A 93 173.727 -9.875 5.553 1.00 0.00 H new ATOM 1446 N HIS A 94 177.715 -7.861 3.550 1.00 0.00 N ATOM 1447 CA HIS A 94 178.858 -7.654 2.653 1.00 0.00 C ATOM 1448 C HIS A 94 179.491 -8.973 2.206 1.00 0.00 C ATOM 1449 O HIS A 94 179.601 -9.243 1.010 1.00 0.00 O ATOM 1450 CB HIS A 94 179.917 -6.792 3.343 1.00 0.00 C ATOM 1451 CG HIS A 94 179.653 -5.319 3.244 1.00 0.00 C ATOM 1452 ND1 HIS A 94 179.729 -4.622 2.056 1.00 0.00 N ATOM 1453 CD2 HIS A 94 179.317 -4.407 4.191 1.00 0.00 C ATOM 1454 CE1 HIS A 94 179.454 -3.348 2.276 1.00 0.00 C ATOM 1455 NE2 HIS A 94 179.201 -3.192 3.561 1.00 0.00 N ATOM 0 H HIS A 94 177.642 -7.168 4.295 1.00 0.00 H new ATOM 0 HA HIS A 94 178.481 -7.147 1.765 1.00 0.00 H new ATOM 0 HB2 HIS A 94 179.972 -7.072 4.395 1.00 0.00 H new ATOM 0 HB3 HIS A 94 180.891 -7.008 2.904 1.00 0.00 H new ATOM 0 HD2 HIS A 94 179.169 -4.600 5.243 1.00 0.00 H new ATOM 0 HE1 HIS A 94 179.439 -2.567 1.530 1.00 0.00 H new ATOM 0 HE2 HIS A 94 178.958 -2.311 4.014 1.00 0.00 H new ATOM 1464 N ARG A 95 179.917 -9.784 3.173 1.00 0.00 N ATOM 1465 CA ARG A 95 180.553 -11.070 2.881 1.00 0.00 C ATOM 1466 C ARG A 95 179.810 -11.836 1.794 1.00 0.00 C ATOM 1467 O ARG A 95 178.659 -11.536 1.477 1.00 0.00 O ATOM 1468 CB ARG A 95 180.639 -11.923 4.148 1.00 0.00 C ATOM 1469 CG ARG A 95 181.847 -12.845 4.177 1.00 0.00 C ATOM 1470 CD ARG A 95 182.168 -13.304 5.590 1.00 0.00 C ATOM 1471 NE ARG A 95 181.390 -14.479 5.974 1.00 0.00 N ATOM 1472 CZ ARG A 95 181.739 -15.314 6.950 1.00 0.00 C ATOM 1473 NH1 ARG A 95 182.850 -15.106 7.647 1.00 0.00 N ATOM 1474 NH2 ARG A 95 180.975 -16.361 7.231 1.00 0.00 N ATOM 0 H ARG A 95 179.834 -9.574 4.168 1.00 0.00 H new ATOM 0 HA ARG A 95 181.558 -10.859 2.516 1.00 0.00 H new ATOM 0 HB2 ARG A 95 180.672 -11.266 5.017 1.00 0.00 H new ATOM 0 HB3 ARG A 95 179.732 -12.522 4.236 1.00 0.00 H new ATOM 0 HG2 ARG A 95 181.658 -13.713 3.546 1.00 0.00 H new ATOM 0 HG3 ARG A 95 182.710 -12.328 3.757 1.00 0.00 H new ATOM 0 HD2 ARG A 95 183.231 -13.533 5.664 1.00 0.00 H new ATOM 0 HD3 ARG A 95 181.968 -12.492 6.289 1.00 0.00 H new ATOM 0 HE ARG A 95 180.528 -14.671 5.464 1.00 0.00 H new ATOM 0 HH11 ARG A 95 183.442 -14.302 7.436 1.00 0.00 H new ATOM 0 HH12 ARG A 95 183.112 -15.750 8.394 1.00 0.00 H new ATOM 0 HH21 ARG A 95 180.120 -16.526 6.699 1.00 0.00 H new ATOM 0 HH22 ARG A 95 181.242 -17.001 7.979 1.00 0.00 H new ATOM 1488 N GLU A 96 180.490 -12.823 1.223 1.00 0.00 N ATOM 1489 CA GLU A 96 179.917 -13.638 0.162 1.00 0.00 C ATOM 1490 C GLU A 96 179.113 -14.801 0.739 1.00 0.00 C ATOM 1491 O GLU A 96 177.972 -15.034 0.340 1.00 0.00 O ATOM 1492 CB GLU A 96 181.033 -14.144 -0.756 1.00 0.00 C ATOM 1493 CG GLU A 96 181.803 -15.334 -0.205 1.00 0.00 C ATOM 1494 CD GLU A 96 182.957 -15.746 -1.099 1.00 0.00 C ATOM 1495 OE1 GLU A 96 182.735 -16.566 -2.014 1.00 0.00 O ATOM 1496 OE2 GLU A 96 184.081 -15.247 -0.884 1.00 0.00 O ATOM 0 H GLU A 96 181.444 -13.078 1.480 1.00 0.00 H new ATOM 0 HA GLU A 96 179.231 -13.025 -0.422 1.00 0.00 H new ATOM 0 HB2 GLU A 96 180.600 -14.420 -1.718 1.00 0.00 H new ATOM 0 HB3 GLU A 96 181.732 -13.329 -0.943 1.00 0.00 H new ATOM 0 HG2 GLU A 96 182.185 -15.088 0.785 1.00 0.00 H new ATOM 0 HG3 GLU A 96 181.123 -16.177 -0.083 1.00 0.00 H new ATOM 1503 N GLU A 97 179.707 -15.521 1.686 1.00 0.00 N ATOM 1504 CA GLU A 97 179.030 -16.647 2.319 1.00 0.00 C ATOM 1505 C GLU A 97 177.839 -16.149 3.121 1.00 0.00 C ATOM 1506 O GLU A 97 177.945 -15.169 3.859 1.00 0.00 O ATOM 1507 CB GLU A 97 179.995 -17.420 3.221 1.00 0.00 C ATOM 1508 CG GLU A 97 180.339 -18.806 2.699 1.00 0.00 C ATOM 1509 CD GLU A 97 181.350 -19.523 3.571 1.00 0.00 C ATOM 1510 OE1 GLU A 97 182.464 -18.988 3.753 1.00 0.00 O ATOM 1511 OE2 GLU A 97 181.028 -20.621 4.073 1.00 0.00 O ATOM 0 H GLU A 97 180.651 -15.346 2.030 1.00 0.00 H new ATOM 0 HA GLU A 97 178.676 -17.324 1.542 1.00 0.00 H new ATOM 0 HB2 GLU A 97 180.914 -16.845 3.333 1.00 0.00 H new ATOM 0 HB3 GLU A 97 179.555 -17.514 4.214 1.00 0.00 H new ATOM 0 HG2 GLU A 97 179.429 -19.403 2.638 1.00 0.00 H new ATOM 0 HG3 GLU A 97 180.733 -18.721 1.686 1.00 0.00 H new ATOM 1518 N ASP A 98 176.702 -16.813 2.959 1.00 0.00 N ATOM 1519 CA ASP A 98 175.490 -16.412 3.655 1.00 0.00 C ATOM 1520 C ASP A 98 175.097 -15.005 3.225 1.00 0.00 C ATOM 1521 O ASP A 98 175.834 -14.047 3.456 1.00 0.00 O ATOM 1522 CB ASP A 98 175.697 -16.463 5.171 1.00 0.00 C ATOM 1523 CG ASP A 98 175.301 -17.802 5.763 1.00 0.00 C ATOM 1524 OD1 ASP A 98 176.038 -18.787 5.549 1.00 0.00 O ATOM 1525 OD2 ASP A 98 174.254 -17.864 6.442 1.00 0.00 O ATOM 0 H ASP A 98 176.595 -17.628 2.354 1.00 0.00 H new ATOM 0 HA ASP A 98 174.689 -17.105 3.397 1.00 0.00 H new ATOM 0 HB2 ASP A 98 176.744 -16.263 5.399 1.00 0.00 H new ATOM 0 HB3 ASP A 98 175.112 -15.673 5.642 1.00 0.00 H new ATOM 1530 N ARG A 99 173.936 -14.880 2.598 1.00 0.00 N ATOM 1531 CA ARG A 99 173.461 -13.582 2.138 1.00 0.00 C ATOM 1532 C ARG A 99 172.213 -13.160 2.903 1.00 0.00 C ATOM 1533 O ARG A 99 171.093 -13.512 2.531 1.00 0.00 O ATOM 1534 CB ARG A 99 173.169 -13.622 0.636 1.00 0.00 C ATOM 1535 CG ARG A 99 172.623 -12.314 0.084 1.00 0.00 C ATOM 1536 CD ARG A 99 173.635 -11.186 0.213 1.00 0.00 C ATOM 1537 NE ARG A 99 174.427 -11.020 -1.004 1.00 0.00 N ATOM 1538 CZ ARG A 99 174.000 -10.369 -2.083 1.00 0.00 C ATOM 1539 NH1 ARG A 99 172.789 -9.827 -2.105 1.00 0.00 N ATOM 1540 NH2 ARG A 99 174.787 -10.261 -3.145 1.00 0.00 N ATOM 0 H ARG A 99 173.308 -15.658 2.397 1.00 0.00 H new ATOM 0 HA ARG A 99 174.245 -12.848 2.325 1.00 0.00 H new ATOM 0 HB2 ARG A 99 174.085 -13.876 0.103 1.00 0.00 H new ATOM 0 HB3 ARG A 99 172.452 -14.418 0.435 1.00 0.00 H new ATOM 0 HG2 ARG A 99 172.355 -12.445 -0.964 1.00 0.00 H new ATOM 0 HG3 ARG A 99 171.710 -12.047 0.616 1.00 0.00 H new ATOM 0 HD2 ARG A 99 173.114 -10.255 0.436 1.00 0.00 H new ATOM 0 HD3 ARG A 99 174.299 -11.389 1.053 1.00 0.00 H new ATOM 0 HE ARG A 99 175.362 -11.427 -1.028 1.00 0.00 H new ATOM 0 HH11 ARG A 99 172.179 -9.908 -1.291 1.00 0.00 H new ATOM 0 HH12 ARG A 99 172.468 -9.329 -2.935 1.00 0.00 H new ATOM 0 HH21 ARG A 99 175.718 -10.677 -3.134 1.00 0.00 H new ATOM 0 HH22 ARG A 99 174.461 -9.762 -3.973 1.00 0.00 H new ATOM 1554 N GLU A 100 172.415 -12.400 3.973 1.00 0.00 N ATOM 1555 CA GLU A 100 171.307 -11.925 4.789 1.00 0.00 C ATOM 1556 C GLU A 100 170.928 -10.500 4.406 1.00 0.00 C ATOM 1557 O GLU A 100 171.613 -9.545 4.773 1.00 0.00 O ATOM 1558 CB GLU A 100 171.673 -11.985 6.273 1.00 0.00 C ATOM 1559 CG GLU A 100 172.106 -13.366 6.738 1.00 0.00 C ATOM 1560 CD GLU A 100 170.932 -14.299 6.963 1.00 0.00 C ATOM 1561 OE1 GLU A 100 170.186 -14.558 5.995 1.00 0.00 O ATOM 1562 OE2 GLU A 100 170.759 -14.770 8.107 1.00 0.00 O ATOM 0 H GLU A 100 173.335 -12.100 4.295 1.00 0.00 H new ATOM 0 HA GLU A 100 170.450 -12.574 4.609 1.00 0.00 H new ATOM 0 HB2 GLU A 100 172.477 -11.276 6.469 1.00 0.00 H new ATOM 0 HB3 GLU A 100 170.815 -11.665 6.864 1.00 0.00 H new ATOM 0 HG2 GLU A 100 172.775 -13.802 5.996 1.00 0.00 H new ATOM 0 HG3 GLU A 100 172.674 -13.272 7.664 1.00 0.00 H new ATOM 1569 N PHE A 101 169.832 -10.365 3.668 1.00 0.00 N ATOM 1570 CA PHE A 101 169.359 -9.055 3.240 1.00 0.00 C ATOM 1571 C PHE A 101 167.950 -8.793 3.767 1.00 0.00 C ATOM 1572 O PHE A 101 166.988 -9.436 3.347 1.00 0.00 O ATOM 1573 CB PHE A 101 169.404 -8.938 1.708 1.00 0.00 C ATOM 1574 CG PHE A 101 168.224 -9.548 1.003 1.00 0.00 C ATOM 1575 CD1 PHE A 101 168.229 -10.886 0.641 1.00 0.00 C ATOM 1576 CD2 PHE A 101 167.109 -8.780 0.703 1.00 0.00 C ATOM 1577 CE1 PHE A 101 167.144 -11.446 -0.007 1.00 0.00 C ATOM 1578 CE2 PHE A 101 166.022 -9.335 0.056 1.00 0.00 C ATOM 1579 CZ PHE A 101 166.040 -10.670 -0.300 1.00 0.00 C ATOM 0 H PHE A 101 169.255 -11.146 3.354 1.00 0.00 H new ATOM 0 HA PHE A 101 170.022 -8.296 3.657 1.00 0.00 H new ATOM 0 HB2 PHE A 101 169.468 -7.884 1.438 1.00 0.00 H new ATOM 0 HB3 PHE A 101 170.315 -9.415 1.346 1.00 0.00 H new ATOM 0 HD1 PHE A 101 169.090 -11.498 0.868 1.00 0.00 H new ATOM 0 HD2 PHE A 101 167.090 -7.736 0.978 1.00 0.00 H new ATOM 0 HE1 PHE A 101 167.160 -12.490 -0.284 1.00 0.00 H new ATOM 0 HE2 PHE A 101 165.159 -8.726 -0.171 1.00 0.00 H new ATOM 0 HZ PHE A 101 165.192 -11.106 -0.807 1.00 0.00 H new ATOM 1589 N HIS A 102 167.835 -7.856 4.701 1.00 0.00 N ATOM 1590 CA HIS A 102 166.543 -7.526 5.290 1.00 0.00 C ATOM 1591 C HIS A 102 166.282 -6.024 5.238 1.00 0.00 C ATOM 1592 O HIS A 102 167.018 -5.232 5.830 1.00 0.00 O ATOM 1593 CB HIS A 102 166.472 -8.018 6.739 1.00 0.00 C ATOM 1594 CG HIS A 102 167.747 -7.831 7.505 1.00 0.00 C ATOM 1595 ND1 HIS A 102 167.822 -7.105 8.675 1.00 0.00 N ATOM 1596 CD2 HIS A 102 169.000 -8.284 7.266 1.00 0.00 C ATOM 1597 CE1 HIS A 102 169.066 -7.119 9.121 1.00 0.00 C ATOM 1598 NE2 HIS A 102 169.800 -7.828 8.284 1.00 0.00 N ATOM 0 H HIS A 102 168.618 -7.313 5.066 1.00 0.00 H new ATOM 0 HA HIS A 102 165.773 -8.029 4.705 1.00 0.00 H new ATOM 0 HB2 HIS A 102 165.669 -7.490 7.253 1.00 0.00 H new ATOM 0 HB3 HIS A 102 166.210 -9.076 6.741 1.00 0.00 H new ATOM 0 HD2 HIS A 102 169.312 -8.892 6.429 1.00 0.00 H new ATOM 0 HE1 HIS A 102 169.421 -6.633 10.018 1.00 0.00 H new ATOM 0 HE2 HIS A 102 170.800 -8.008 8.378 1.00 0.00 H new ATOM 1607 N VAL A 103 165.237 -5.641 4.511 1.00 0.00 N ATOM 1608 CA VAL A 103 164.876 -4.238 4.366 1.00 0.00 C ATOM 1609 C VAL A 103 163.758 -3.850 5.331 1.00 0.00 C ATOM 1610 O VAL A 103 162.919 -4.677 5.688 1.00 0.00 O ATOM 1611 CB VAL A 103 164.421 -3.930 2.926 1.00 0.00 C ATOM 1612 CG1 VAL A 103 163.239 -4.805 2.542 1.00 0.00 C ATOM 1613 CG2 VAL A 103 164.073 -2.457 2.771 1.00 0.00 C ATOM 0 H VAL A 103 164.624 -6.286 4.012 1.00 0.00 H new ATOM 0 HA VAL A 103 165.767 -3.655 4.598 1.00 0.00 H new ATOM 0 HB VAL A 103 165.248 -4.154 2.252 1.00 0.00 H new ATOM 0 HG11 VAL A 103 162.931 -4.574 1.522 1.00 0.00 H new ATOM 0 HG12 VAL A 103 163.527 -5.854 2.605 1.00 0.00 H new ATOM 0 HG13 VAL A 103 162.409 -4.615 3.223 1.00 0.00 H new ATOM 0 HG21 VAL A 103 163.755 -2.264 1.746 1.00 0.00 H new ATOM 0 HG22 VAL A 103 163.265 -2.200 3.456 1.00 0.00 H new ATOM 0 HG23 VAL A 103 164.949 -1.850 2.999 1.00 0.00 H new ATOM 1623 N ILE A 104 163.751 -2.586 5.744 1.00 0.00 N ATOM 1624 CA ILE A 104 162.731 -2.086 6.661 1.00 0.00 C ATOM 1625 C ILE A 104 161.819 -1.078 5.967 1.00 0.00 C ATOM 1626 O ILE A 104 162.291 -0.142 5.324 1.00 0.00 O ATOM 1627 CB ILE A 104 163.356 -1.428 7.912 1.00 0.00 C ATOM 1628 CG1 ILE A 104 164.747 -0.848 7.592 1.00 0.00 C ATOM 1629 CG2 ILE A 104 163.431 -2.442 9.045 1.00 0.00 C ATOM 1630 CD1 ILE A 104 165.621 -0.643 8.797 1.00 0.00 C ATOM 0 H ILE A 104 164.439 -1.890 5.459 1.00 0.00 H new ATOM 0 HA ILE A 104 162.145 -2.948 6.978 1.00 0.00 H new ATOM 0 HB ILE A 104 162.722 -0.600 8.228 1.00 0.00 H new ATOM 0 HG12 ILE A 104 165.256 -1.516 6.897 1.00 0.00 H new ATOM 0 HG13 ILE A 104 164.621 0.107 7.081 1.00 0.00 H new ATOM 0 HG21 ILE A 104 163.872 -1.973 9.924 1.00 0.00 H new ATOM 0 HG22 ILE A 104 162.428 -2.793 9.286 1.00 0.00 H new ATOM 0 HG23 ILE A 104 164.047 -3.287 8.737 1.00 0.00 H new ATOM 0 HD11 ILE A 104 166.581 -0.232 8.484 1.00 0.00 H new ATOM 0 HD12 ILE A 104 165.136 0.050 9.484 1.00 0.00 H new ATOM 0 HD13 ILE A 104 165.781 -1.598 9.297 1.00 0.00 H new ATOM 1642 N TRP A 105 160.509 -1.278 6.098 1.00 0.00 N ATOM 1643 CA TRP A 105 159.532 -0.385 5.477 1.00 0.00 C ATOM 1644 C TRP A 105 158.759 0.405 6.528 1.00 0.00 C ATOM 1645 O TRP A 105 158.227 -0.166 7.480 1.00 0.00 O ATOM 1646 CB TRP A 105 158.552 -1.177 4.609 1.00 0.00 C ATOM 1647 CG TRP A 105 159.222 -2.063 3.602 1.00 0.00 C ATOM 1648 CD1 TRP A 105 159.487 -3.396 3.735 1.00 0.00 C ATOM 1649 CD2 TRP A 105 159.709 -1.684 2.307 1.00 0.00 C ATOM 1650 NE1 TRP A 105 160.110 -3.869 2.606 1.00 0.00 N ATOM 1651 CE2 TRP A 105 160.257 -2.839 1.715 1.00 0.00 C ATOM 1652 CE3 TRP A 105 159.737 -0.484 1.589 1.00 0.00 C ATOM 1653 CZ2 TRP A 105 160.822 -2.827 0.443 1.00 0.00 C ATOM 1654 CZ3 TRP A 105 160.297 -0.475 0.328 1.00 0.00 C ATOM 1655 CH2 TRP A 105 160.833 -1.640 -0.235 1.00 0.00 C ATOM 0 H TRP A 105 160.100 -2.048 6.627 1.00 0.00 H new ATOM 0 HA TRP A 105 160.082 0.316 4.849 1.00 0.00 H new ATOM 0 HB2 TRP A 105 157.920 -1.787 5.254 1.00 0.00 H new ATOM 0 HB3 TRP A 105 157.896 -0.480 4.088 1.00 0.00 H new ATOM 0 HD1 TRP A 105 159.242 -3.992 4.602 1.00 0.00 H new ATOM 0 HE1 TRP A 105 160.414 -4.831 2.455 1.00 0.00 H new ATOM 0 HE3 TRP A 105 159.327 0.420 2.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 161.237 -3.724 0.007 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 160.322 0.446 -0.235 1.00 0.00 H new ATOM 0 HH2 TRP A 105 161.264 -1.600 -1.225 1.00 0.00 H new ATOM 1666 N LYS A 106 158.694 1.723 6.336 1.00 0.00 N ATOM 1667 CA LYS A 106 157.979 2.618 7.251 1.00 0.00 C ATOM 1668 C LYS A 106 158.108 2.170 8.707 1.00 0.00 C ATOM 1669 O LYS A 106 157.281 1.405 9.204 1.00 0.00 O ATOM 1670 CB LYS A 106 156.501 2.698 6.864 1.00 0.00 C ATOM 1671 CG LYS A 106 155.842 4.013 7.250 1.00 0.00 C ATOM 1672 CD LYS A 106 155.371 4.790 6.028 1.00 0.00 C ATOM 1673 CE LYS A 106 153.856 4.918 5.997 1.00 0.00 C ATOM 1674 NZ LYS A 106 153.400 6.248 6.489 1.00 0.00 N ATOM 0 H LYS A 106 159.132 2.199 5.548 1.00 0.00 H new ATOM 0 HA LYS A 106 158.435 3.604 7.164 1.00 0.00 H new ATOM 0 HB2 LYS A 106 156.408 2.557 5.787 1.00 0.00 H new ATOM 0 HB3 LYS A 106 155.964 1.878 7.341 1.00 0.00 H new ATOM 0 HG2 LYS A 106 154.993 3.816 7.905 1.00 0.00 H new ATOM 0 HG3 LYS A 106 156.547 4.620 7.817 1.00 0.00 H new ATOM 0 HD2 LYS A 106 155.821 5.783 6.032 1.00 0.00 H new ATOM 0 HD3 LYS A 106 155.713 4.288 5.123 1.00 0.00 H new ATOM 0 HE2 LYS A 106 153.500 4.766 4.978 1.00 0.00 H new ATOM 0 HE3 LYS A 106 153.413 4.133 6.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 152.362 6.295 6.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 153.718 6.383 7.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 153.802 6.996 5.889 1.00 0.00 H new ATOM 1688 N LYS A 107 159.145 2.651 9.384 1.00 0.00 N ATOM 1689 CA LYS A 107 159.374 2.297 10.780 1.00 0.00 C ATOM 1690 C LYS A 107 158.672 3.280 11.712 1.00 0.00 C ATOM 1691 O LYS A 107 158.236 2.853 12.802 1.00 0.00 O ATOM 1692 CB LYS A 107 160.873 2.271 11.083 1.00 0.00 C ATOM 1693 CG LYS A 107 161.547 3.625 10.930 1.00 0.00 C ATOM 1694 CD LYS A 107 161.649 4.351 12.262 1.00 0.00 C ATOM 1695 CE LYS A 107 162.216 5.752 12.094 1.00 0.00 C ATOM 1696 NZ LYS A 107 161.365 6.779 12.757 1.00 0.00 N ATOM 1697 OXT LYS A 107 158.565 4.469 11.345 1.00 0.00 O ATOM 0 H LYS A 107 159.839 3.286 8.990 1.00 0.00 H new ATOM 0 HA LYS A 107 158.960 1.303 10.949 1.00 0.00 H new ATOM 0 HB2 LYS A 107 161.023 1.912 12.101 1.00 0.00 H new ATOM 0 HB3 LYS A 107 161.357 1.556 10.418 1.00 0.00 H new ATOM 0 HG2 LYS A 107 162.544 3.491 10.510 1.00 0.00 H new ATOM 0 HG3 LYS A 107 160.984 4.235 10.224 1.00 0.00 H new ATOM 0 HD2 LYS A 107 160.662 4.410 12.721 1.00 0.00 H new ATOM 0 HD3 LYS A 107 162.283 3.780 12.941 1.00 0.00 H new ATOM 0 HE2 LYS A 107 163.222 5.789 12.512 1.00 0.00 H new ATOM 0 HE3 LYS A 107 162.303 5.983 11.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 161.786 7.720 12.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 160.412 6.762 12.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 161.302 6.573 13.775 1.00 0.00 H new