USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 406 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 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0326 X(o=-0.033,f=-0.31) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.36 K(o=-1.4,f=-4.3!) USER MOD Single : A 60 SER OG : rot 180:sc= -0.186 USER MOD ----------------------------------------------------------------- ATOM 89 N ILE A 10 0.859 -8.375 -13.548 1.00 0.00 N ATOM 90 CA ILE A 10 0.301 -7.337 -12.690 1.00 0.00 C ATOM 91 C ILE A 10 -0.810 -7.894 -11.805 1.00 0.00 C ATOM 92 O ILE A 10 -1.793 -8.446 -12.299 1.00 0.00 O ATOM 93 CB ILE A 10 -0.255 -6.162 -13.515 1.00 0.00 C ATOM 94 CG1 ILE A 10 0.851 -5.543 -14.372 1.00 0.00 C ATOM 95 CG2 ILE A 10 -0.871 -5.115 -12.598 1.00 0.00 C ATOM 96 CD1 ILE A 10 0.333 -4.812 -15.591 1.00 0.00 C ATOM 0 HA ILE A 10 1.115 -6.975 -12.062 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.034 -6.539 -14.178 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.428 -4.849 -13.760 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.534 -6.329 -14.693 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.260 -4.291 -13.196 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.684 -5.564 -12.027 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.111 -4.739 -11.913 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.172 -4.399 -16.151 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -0.220 -5.506 -16.224 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.327 -4.003 -15.277 1.00 0.00 H new ATOM 108 N VAL A 11 -0.648 -7.742 -10.495 1.00 0.00 N ATOM 109 CA VAL A 11 -1.638 -8.227 -9.541 1.00 0.00 C ATOM 110 C VAL A 11 -2.461 -7.077 -8.971 1.00 0.00 C ATOM 111 O VAL A 11 -1.937 -5.993 -8.714 1.00 0.00 O ATOM 112 CB VAL A 11 -0.973 -8.992 -8.381 1.00 0.00 C ATOM 113 CG1 VAL A 11 -2.018 -9.452 -7.376 1.00 0.00 C ATOM 114 CG2 VAL A 11 -0.174 -10.173 -8.911 1.00 0.00 C ATOM 0 H VAL A 11 0.160 -7.287 -10.070 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.295 -8.906 -10.085 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.286 -8.318 -7.870 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.530 -9.990 -6.564 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.542 -8.585 -6.973 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.733 -10.111 -7.870 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.289 -10.702 -8.078 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.838 -10.851 -9.447 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.601 -9.814 -9.588 1.00 0.00 H new ATOM 124 N SER A 12 -3.753 -7.321 -8.776 1.00 0.00 N ATOM 125 CA SER A 12 -4.650 -6.304 -8.239 1.00 0.00 C ATOM 126 C SER A 12 -5.345 -6.805 -6.976 1.00 0.00 C ATOM 127 O SER A 12 -6.005 -7.843 -6.989 1.00 0.00 O ATOM 128 CB SER A 12 -5.692 -5.909 -9.286 1.00 0.00 C ATOM 129 OG SER A 12 -5.080 -5.307 -10.413 1.00 0.00 O ATOM 0 H SER A 12 -4.202 -8.214 -8.982 1.00 0.00 H new ATOM 0 HA SER A 12 -4.054 -5.428 -7.982 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.250 -6.791 -9.599 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.410 -5.217 -8.846 1.00 0.00 H new ATOM 0 HG SER A 12 -5.767 -5.065 -11.068 1.00 0.00 H new ATOM 135 N ALA A 13 -5.191 -6.058 -5.888 1.00 0.00 N ATOM 136 CA ALA A 13 -5.805 -6.424 -4.617 1.00 0.00 C ATOM 137 C ALA A 13 -6.964 -5.493 -4.280 1.00 0.00 C ATOM 138 O ALA A 13 -6.986 -4.337 -4.699 1.00 0.00 O ATOM 139 CB ALA A 13 -4.768 -6.403 -3.505 1.00 0.00 C ATOM 0 H ALA A 13 -4.647 -5.196 -5.861 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.201 -7.435 -4.710 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.240 -6.678 -2.562 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.974 -7.114 -3.734 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.345 -5.402 -3.421 1.00 0.00 H new ATOM 145 N GLU A 14 -7.927 -6.006 -3.519 1.00 0.00 N ATOM 146 CA GLU A 14 -9.091 -5.219 -3.127 1.00 0.00 C ATOM 147 C GLU A 14 -9.117 -5.003 -1.617 1.00 0.00 C ATOM 148 O GLU A 14 -9.191 -5.957 -0.844 1.00 0.00 O ATOM 149 CB GLU A 14 -10.378 -5.913 -3.577 1.00 0.00 C ATOM 150 CG GLU A 14 -11.578 -4.983 -3.648 1.00 0.00 C ATOM 151 CD GLU A 14 -11.561 -4.101 -4.881 1.00 0.00 C ATOM 152 OE1 GLU A 14 -11.838 -4.619 -5.984 1.00 0.00 O ATOM 153 OE2 GLU A 14 -11.270 -2.895 -4.745 1.00 0.00 O ATOM 0 H GLU A 14 -7.924 -6.962 -3.162 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.022 -4.247 -3.615 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.216 -6.359 -4.558 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.601 -6.728 -2.889 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.493 -5.576 -3.642 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.599 -4.355 -2.757 1.00 0.00 H new ATOM 160 N ALA A 15 -9.056 -3.741 -1.205 1.00 0.00 N ATOM 161 CA ALA A 15 -9.075 -3.398 0.212 1.00 0.00 C ATOM 162 C ALA A 15 -10.287 -4.008 0.908 1.00 0.00 C ATOM 163 O ALA A 15 -11.403 -3.504 0.788 1.00 0.00 O ATOM 164 CB ALA A 15 -9.066 -1.887 0.390 1.00 0.00 C ATOM 0 H ALA A 15 -8.993 -2.939 -1.832 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.178 -3.812 0.673 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -9.080 -1.646 1.453 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.166 -1.473 -0.064 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.945 -1.459 -0.091 1.00 0.00 H new ATOM 170 N VAL A 16 -10.059 -5.096 1.637 1.00 0.00 N ATOM 171 CA VAL A 16 -11.133 -5.775 2.353 1.00 0.00 C ATOM 172 C VAL A 16 -11.448 -5.070 3.668 1.00 0.00 C ATOM 173 O VAL A 16 -12.606 -4.985 4.076 1.00 0.00 O ATOM 174 CB VAL A 16 -10.773 -7.243 2.645 1.00 0.00 C ATOM 175 CG1 VAL A 16 -9.529 -7.325 3.517 1.00 0.00 C ATOM 176 CG2 VAL A 16 -11.943 -7.959 3.302 1.00 0.00 C ATOM 0 H VAL A 16 -9.141 -5.526 1.747 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.011 -5.745 1.708 1.00 0.00 H new ATOM 0 HB VAL A 16 -10.558 -7.740 1.699 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -9.290 -8.370 3.713 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.692 -6.852 3.003 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.712 -6.812 4.461 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.670 -8.995 3.501 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -12.193 -7.463 4.240 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -12.806 -7.932 2.637 1.00 0.00 H new ATOM 186 N TRP A 17 -10.410 -4.565 4.325 1.00 0.00 N ATOM 187 CA TRP A 17 -10.576 -3.866 5.594 1.00 0.00 C ATOM 188 C TRP A 17 -9.993 -2.459 5.521 1.00 0.00 C ATOM 189 O TRP A 17 -8.940 -2.244 4.920 1.00 0.00 O ATOM 190 CB TRP A 17 -9.907 -4.651 6.724 1.00 0.00 C ATOM 191 CG TRP A 17 -10.758 -5.762 7.259 1.00 0.00 C ATOM 192 CD1 TRP A 17 -11.453 -6.685 6.532 1.00 0.00 C ATOM 193 CD2 TRP A 17 -11.003 -6.066 8.637 1.00 0.00 C ATOM 194 NE1 TRP A 17 -12.117 -7.544 7.374 1.00 0.00 N ATOM 195 CE2 TRP A 17 -11.856 -7.186 8.671 1.00 0.00 C ATOM 196 CE3 TRP A 17 -10.584 -5.502 9.845 1.00 0.00 C ATOM 197 CZ2 TRP A 17 -12.297 -7.750 9.865 1.00 0.00 C ATOM 198 CZ3 TRP A 17 -11.023 -6.062 11.029 1.00 0.00 C ATOM 199 CH2 TRP A 17 -11.871 -7.177 11.033 1.00 0.00 C ATOM 0 H TRP A 17 -9.445 -4.626 4.000 1.00 0.00 H new ATOM 0 HA TRP A 17 -11.644 -3.786 5.799 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -8.966 -5.066 6.362 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -9.662 -3.967 7.536 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -11.477 -6.733 5.453 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -12.708 -8.322 7.081 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -9.929 -4.644 9.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -12.952 -8.609 9.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -10.707 -5.633 11.968 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -12.195 -7.593 11.976 1.00 0.00 H new ATOM 210 N ASP A 18 -10.682 -1.505 6.137 1.00 0.00 N ATOM 211 CA ASP A 18 -10.231 -0.118 6.142 1.00 0.00 C ATOM 212 C ASP A 18 -8.964 0.038 6.977 1.00 0.00 C ATOM 213 O ASP A 18 -8.969 -0.210 8.184 1.00 0.00 O ATOM 214 CB ASP A 18 -11.331 0.796 6.686 1.00 0.00 C ATOM 215 CG ASP A 18 -12.655 0.593 5.977 1.00 0.00 C ATOM 216 OD1 ASP A 18 -13.204 -0.527 6.053 1.00 0.00 O ATOM 217 OD2 ASP A 18 -13.144 1.553 5.347 1.00 0.00 O ATOM 0 H ASP A 18 -11.555 -1.666 6.639 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.005 0.169 5.115 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.461 0.609 7.752 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.021 1.836 6.580 1.00 0.00 H new ATOM 222 N HIS A 19 -7.880 0.449 6.327 1.00 0.00 N ATOM 223 CA HIS A 19 -6.605 0.637 7.010 1.00 0.00 C ATOM 224 C HIS A 19 -6.333 2.119 7.255 1.00 0.00 C ATOM 225 O HIS A 19 -5.682 2.783 6.449 1.00 0.00 O ATOM 226 CB HIS A 19 -5.468 0.028 6.189 1.00 0.00 C ATOM 227 CG HIS A 19 -4.160 -0.017 6.918 1.00 0.00 C ATOM 228 ND1 HIS A 19 -2.992 0.503 6.402 1.00 0.00 N ATOM 229 CD2 HIS A 19 -3.840 -0.523 8.132 1.00 0.00 C ATOM 230 CE1 HIS A 19 -2.010 0.318 7.265 1.00 0.00 C ATOM 231 NE2 HIS A 19 -2.499 -0.302 8.325 1.00 0.00 N ATOM 0 H HIS A 19 -7.859 0.658 5.329 1.00 0.00 H new ATOM 0 HA HIS A 19 -6.659 0.131 7.974 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -5.745 -0.984 5.894 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -5.344 0.604 5.272 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -4.514 -1.010 8.821 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.983 0.621 7.128 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -1.967 -0.572 9.152 1.00 0.00 H new ATOM 240 N VAL A 20 -6.838 2.631 8.373 1.00 0.00 N ATOM 241 CA VAL A 20 -6.650 4.033 8.725 1.00 0.00 C ATOM 242 C VAL A 20 -5.309 4.251 9.417 1.00 0.00 C ATOM 243 O VAL A 20 -4.881 3.438 10.236 1.00 0.00 O ATOM 244 CB VAL A 20 -7.778 4.537 9.645 1.00 0.00 C ATOM 245 CG1 VAL A 20 -9.115 4.501 8.920 1.00 0.00 C ATOM 246 CG2 VAL A 20 -7.833 3.713 10.922 1.00 0.00 C ATOM 0 H VAL A 20 -7.381 2.095 9.051 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.671 4.599 7.793 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.566 5.571 9.916 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.900 4.861 9.586 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.068 5.139 8.037 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.337 3.478 8.617 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.636 4.083 11.560 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -8.020 2.668 10.673 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.883 3.796 11.450 1.00 0.00 H new ATOM 256 N THR A 21 -4.650 5.356 9.083 1.00 0.00 N ATOM 257 CA THR A 21 -3.357 5.682 9.671 1.00 0.00 C ATOM 258 C THR A 21 -2.909 7.083 9.273 1.00 0.00 C ATOM 259 O THR A 21 -3.245 7.569 8.193 1.00 0.00 O ATOM 260 CB THR A 21 -2.276 4.670 9.247 1.00 0.00 C ATOM 261 OG1 THR A 21 -1.027 4.999 9.865 1.00 0.00 O ATOM 262 CG2 THR A 21 -2.110 4.656 7.735 1.00 0.00 C ATOM 0 H THR A 21 -4.991 6.041 8.408 1.00 0.00 H new ATOM 0 HA THR A 21 -3.482 5.637 10.753 1.00 0.00 H new ATOM 0 HB THR A 21 -2.592 3.678 9.571 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.346 4.350 9.592 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.341 3.934 7.460 1.00 0.00 H new ATOM 0 HG22 THR A 21 -3.054 4.376 7.268 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.815 5.648 7.392 1.00 0.00 H new ATOM 270 N MET A 22 -2.149 7.728 10.151 1.00 0.00 N ATOM 271 CA MET A 22 -1.653 9.075 9.889 1.00 0.00 C ATOM 272 C MET A 22 -0.139 9.141 10.065 1.00 0.00 C ATOM 273 O MET A 22 0.384 10.075 10.670 1.00 0.00 O ATOM 274 CB MET A 22 -2.331 10.081 10.821 1.00 0.00 C ATOM 275 CG MET A 22 -2.431 11.480 10.235 1.00 0.00 C ATOM 276 SD MET A 22 -3.698 12.480 11.038 1.00 0.00 S ATOM 277 CE MET A 22 -3.865 13.822 9.863 1.00 0.00 C ATOM 0 H MET A 22 -1.863 7.341 11.050 1.00 0.00 H new ATOM 0 HA MET A 22 -1.892 9.329 8.856 1.00 0.00 H new ATOM 0 HB2 MET A 22 -3.333 9.724 11.061 1.00 0.00 H new ATOM 0 HB3 MET A 22 -1.776 10.127 11.758 1.00 0.00 H new ATOM 0 HG2 MET A 22 -1.466 11.979 10.329 1.00 0.00 H new ATOM 0 HG3 MET A 22 -2.651 11.409 9.170 1.00 0.00 H new ATOM 0 HE1 MET A 22 -4.616 14.527 10.220 1.00 0.00 H new ATOM 0 HE2 MET A 22 -2.908 14.334 9.757 1.00 0.00 H new ATOM 0 HE3 MET A 22 -4.172 13.423 8.896 1.00 0.00 H new ATOM 287 N ALA A 23 0.558 8.143 9.531 1.00 0.00 N ATOM 288 CA ALA A 23 2.011 8.089 9.628 1.00 0.00 C ATOM 289 C ALA A 23 2.666 8.897 8.513 1.00 0.00 C ATOM 290 O ALA A 23 2.041 9.185 7.493 1.00 0.00 O ATOM 291 CB ALA A 23 2.490 6.645 9.587 1.00 0.00 C ATOM 0 H ALA A 23 0.139 7.361 9.027 1.00 0.00 H new ATOM 0 HA ALA A 23 2.303 8.530 10.581 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.577 6.620 9.660 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.057 6.094 10.422 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.179 6.185 8.649 1.00 0.00 H new ATOM 297 N ASN A 24 3.929 9.261 8.714 1.00 0.00 N ATOM 298 CA ASN A 24 4.667 10.037 7.725 1.00 0.00 C ATOM 299 C ASN A 24 4.762 9.284 6.402 1.00 0.00 C ATOM 300 O ASN A 24 4.489 9.840 5.338 1.00 0.00 O ATOM 301 CB ASN A 24 6.071 10.359 8.244 1.00 0.00 C ATOM 302 CG ASN A 24 7.040 10.686 7.124 1.00 0.00 C ATOM 303 OD1 ASN A 24 6.730 11.473 6.230 1.00 0.00 O ATOM 304 ND2 ASN A 24 8.221 10.081 7.169 1.00 0.00 N ATOM 0 H ASN A 24 4.462 9.031 9.553 1.00 0.00 H new ATOM 0 HA ASN A 24 4.127 10.968 7.554 1.00 0.00 H new ATOM 0 HB2 ASN A 24 6.017 11.203 8.932 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.449 9.509 8.812 1.00 0.00 H new ATOM 0 HD21 ASN A 24 8.914 10.261 6.443 1.00 0.00 H new ATOM 0 HD22 ASN A 24 8.435 9.436 7.929 1.00 0.00 H new ATOM 311 N ARG A 25 5.151 8.015 6.476 1.00 0.00 N ATOM 312 CA ARG A 25 5.283 7.185 5.285 1.00 0.00 C ATOM 313 C ARG A 25 4.346 5.983 5.354 1.00 0.00 C ATOM 314 O ARG A 25 4.729 4.912 5.823 1.00 0.00 O ATOM 315 CB ARG A 25 6.728 6.710 5.126 1.00 0.00 C ATOM 316 CG ARG A 25 7.334 6.160 6.407 1.00 0.00 C ATOM 317 CD ARG A 25 8.381 5.096 6.116 1.00 0.00 C ATOM 318 NE ARG A 25 9.063 4.653 7.329 1.00 0.00 N ATOM 319 CZ ARG A 25 10.107 5.282 7.857 1.00 0.00 C ATOM 320 NH1 ARG A 25 10.586 6.376 7.281 1.00 0.00 N ATOM 321 NH2 ARG A 25 10.673 4.818 8.963 1.00 0.00 N ATOM 0 H ARG A 25 5.380 7.539 7.349 1.00 0.00 H new ATOM 0 HA ARG A 25 5.009 7.789 4.420 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.765 5.939 4.356 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.338 7.542 4.774 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.788 6.973 6.974 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.547 5.736 7.031 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.905 4.241 5.635 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.113 5.491 5.412 1.00 0.00 H new ATOM 0 HE ARG A 25 8.719 3.814 7.797 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.153 6.736 6.431 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.388 6.857 7.688 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.307 3.977 9.409 1.00 0.00 H new ATOM 0 HH22 ARG A 25 11.475 5.302 9.367 1.00 0.00 H new ATOM 335 N GLU A 26 3.117 6.169 4.884 1.00 0.00 N ATOM 336 CA GLU A 26 2.125 5.100 4.893 1.00 0.00 C ATOM 337 C GLU A 26 1.071 5.325 3.813 1.00 0.00 C ATOM 338 O GLU A 26 1.008 6.394 3.205 1.00 0.00 O ATOM 339 CB GLU A 26 1.454 5.009 6.265 1.00 0.00 C ATOM 340 CG GLU A 26 0.801 6.307 6.710 1.00 0.00 C ATOM 341 CD GLU A 26 -0.218 6.820 5.711 1.00 0.00 C ATOM 342 OE1 GLU A 26 -1.084 6.028 5.286 1.00 0.00 O ATOM 343 OE2 GLU A 26 -0.148 8.015 5.354 1.00 0.00 O ATOM 0 H GLU A 26 2.784 7.050 4.492 1.00 0.00 H new ATOM 0 HA GLU A 26 2.638 4.161 4.684 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.700 4.223 6.240 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.198 4.714 7.005 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.314 6.153 7.673 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.571 7.064 6.859 1.00 0.00 H new ATOM 350 N LEU A 27 0.246 4.311 3.580 1.00 0.00 N ATOM 351 CA LEU A 27 -0.806 4.397 2.572 1.00 0.00 C ATOM 352 C LEU A 27 -2.185 4.273 3.213 1.00 0.00 C ATOM 353 O LEU A 27 -2.637 3.173 3.528 1.00 0.00 O ATOM 354 CB LEU A 27 -0.621 3.303 1.519 1.00 0.00 C ATOM 355 CG LEU A 27 -1.457 3.448 0.247 1.00 0.00 C ATOM 356 CD1 LEU A 27 -1.071 4.712 -0.505 1.00 0.00 C ATOM 357 CD2 LEU A 27 -1.292 2.224 -0.642 1.00 0.00 C ATOM 0 H LEU A 27 0.284 3.420 4.075 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.735 5.372 2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.431 3.272 1.237 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.856 2.342 1.977 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.506 3.526 0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.677 4.798 -1.407 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.242 5.580 0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.017 4.665 -0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.894 2.345 -1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.243 2.114 -0.919 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.620 1.336 -0.102 1.00 0.00 H new ATOM 369 N ALA A 28 -2.848 5.409 3.401 1.00 0.00 N ATOM 370 CA ALA A 28 -4.177 5.427 4.000 1.00 0.00 C ATOM 371 C ALA A 28 -5.251 5.116 2.963 1.00 0.00 C ATOM 372 O ALA A 28 -5.509 5.915 2.063 1.00 0.00 O ATOM 373 CB ALA A 28 -4.444 6.777 4.650 1.00 0.00 C ATOM 0 H ALA A 28 -2.487 6.329 3.147 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.214 4.653 4.766 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.440 6.777 5.093 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.701 6.960 5.426 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.383 7.562 3.896 1.00 0.00 H new ATOM 379 N PHE A 29 -5.873 3.949 3.095 1.00 0.00 N ATOM 380 CA PHE A 29 -6.918 3.531 2.168 1.00 0.00 C ATOM 381 C PHE A 29 -8.124 2.977 2.921 1.00 0.00 C ATOM 382 O PHE A 29 -8.014 2.570 4.078 1.00 0.00 O ATOM 383 CB PHE A 29 -6.379 2.476 1.200 1.00 0.00 C ATOM 384 CG PHE A 29 -5.753 1.296 1.887 1.00 0.00 C ATOM 385 CD1 PHE A 29 -6.536 0.249 2.344 1.00 0.00 C ATOM 386 CD2 PHE A 29 -4.382 1.235 2.075 1.00 0.00 C ATOM 387 CE1 PHE A 29 -5.963 -0.838 2.977 1.00 0.00 C ATOM 388 CE2 PHE A 29 -3.803 0.150 2.708 1.00 0.00 C ATOM 389 CZ PHE A 29 -4.594 -0.888 3.158 1.00 0.00 C ATOM 0 H PHE A 29 -5.672 3.276 3.835 1.00 0.00 H new ATOM 0 HA PHE A 29 -7.236 4.406 1.601 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.194 2.127 0.565 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.641 2.939 0.545 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.606 0.282 2.204 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.758 2.044 1.723 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -6.585 -1.648 3.330 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.733 0.115 2.850 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.144 -1.737 3.650 1.00 0.00 H new ATOM 399 N LYS A 30 -9.274 2.965 2.257 1.00 0.00 N ATOM 400 CA LYS A 30 -10.502 2.461 2.862 1.00 0.00 C ATOM 401 C LYS A 30 -11.036 1.260 2.087 1.00 0.00 C ATOM 402 O LYS A 30 -10.691 1.057 0.924 1.00 0.00 O ATOM 403 CB LYS A 30 -11.562 3.564 2.908 1.00 0.00 C ATOM 404 CG LYS A 30 -11.142 4.778 3.719 1.00 0.00 C ATOM 405 CD LYS A 30 -11.377 4.564 5.205 1.00 0.00 C ATOM 406 CE LYS A 30 -10.948 5.777 6.017 1.00 0.00 C ATOM 407 NZ LYS A 30 -11.949 6.877 5.943 1.00 0.00 N ATOM 0 H LYS A 30 -9.382 3.299 1.299 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.273 2.143 3.879 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.791 3.879 1.890 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.481 3.156 3.329 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.087 4.987 3.543 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -11.700 5.652 3.383 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -12.433 4.361 5.382 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.824 3.687 5.539 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.805 5.485 7.058 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.986 6.136 5.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.620 7.685 6.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.067 7.173 4.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.861 6.542 6.315 1.00 0.00 H new ATOM 421 N ALA A 31 -11.882 0.470 2.740 1.00 0.00 N ATOM 422 CA ALA A 31 -12.466 -0.708 2.112 1.00 0.00 C ATOM 423 C ALA A 31 -13.155 -0.346 0.800 1.00 0.00 C ATOM 424 O ALA A 31 -14.227 0.257 0.797 1.00 0.00 O ATOM 425 CB ALA A 31 -13.450 -1.379 3.059 1.00 0.00 C ATOM 0 H ALA A 31 -12.178 0.625 3.704 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.660 -1.407 1.889 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -13.878 -2.257 2.576 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.931 -1.682 3.968 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.247 -0.679 3.312 1.00 0.00 H new ATOM 431 N GLY A 32 -12.531 -0.718 -0.313 1.00 0.00 N ATOM 432 CA GLY A 32 -13.098 -0.423 -1.616 1.00 0.00 C ATOM 433 C GLY A 32 -12.051 0.020 -2.618 1.00 0.00 C ATOM 434 O GLY A 32 -12.119 -0.334 -3.795 1.00 0.00 O ATOM 0 H GLY A 32 -11.643 -1.219 -0.336 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.608 -1.308 -1.996 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -13.851 0.358 -1.513 1.00 0.00 H new ATOM 438 N ASP A 33 -11.080 0.798 -2.151 1.00 0.00 N ATOM 439 CA ASP A 33 -10.014 1.292 -3.015 1.00 0.00 C ATOM 440 C ASP A 33 -9.295 0.136 -3.704 1.00 0.00 C ATOM 441 O ASP A 33 -9.269 -0.985 -3.196 1.00 0.00 O ATOM 442 CB ASP A 33 -9.015 2.121 -2.206 1.00 0.00 C ATOM 443 CG ASP A 33 -9.625 3.401 -1.671 1.00 0.00 C ATOM 444 OD1 ASP A 33 -10.408 4.038 -2.406 1.00 0.00 O ATOM 445 OD2 ASP A 33 -9.320 3.767 -0.516 1.00 0.00 O ATOM 0 H ASP A 33 -11.009 1.100 -1.179 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.463 1.925 -3.780 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.642 1.524 -1.374 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.158 2.365 -2.833 1.00 0.00 H new ATOM 450 N VAL A 34 -8.712 0.417 -4.865 1.00 0.00 N ATOM 451 CA VAL A 34 -7.992 -0.599 -5.625 1.00 0.00 C ATOM 452 C VAL A 34 -6.500 -0.289 -5.680 1.00 0.00 C ATOM 453 O VAL A 34 -6.083 0.696 -6.290 1.00 0.00 O ATOM 454 CB VAL A 34 -8.535 -0.715 -7.061 1.00 0.00 C ATOM 455 CG1 VAL A 34 -7.780 -1.788 -7.832 1.00 0.00 C ATOM 456 CG2 VAL A 34 -10.027 -1.009 -7.044 1.00 0.00 C ATOM 0 H VAL A 34 -8.724 1.339 -5.300 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.144 -1.547 -5.110 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.382 0.238 -7.567 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.177 -1.856 -8.845 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.722 -1.529 -7.874 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.899 -2.748 -7.330 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -10.394 -1.088 -8.067 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -10.207 -1.948 -6.521 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.551 -0.202 -6.532 1.00 0.00 H new ATOM 466 N ILE A 35 -5.701 -1.136 -5.040 1.00 0.00 N ATOM 467 CA ILE A 35 -4.255 -0.953 -5.018 1.00 0.00 C ATOM 468 C ILE A 35 -3.575 -1.823 -6.070 1.00 0.00 C ATOM 469 O ILE A 35 -3.629 -3.051 -6.005 1.00 0.00 O ATOM 470 CB ILE A 35 -3.667 -1.286 -3.634 1.00 0.00 C ATOM 471 CG1 ILE A 35 -4.269 -0.372 -2.566 1.00 0.00 C ATOM 472 CG2 ILE A 35 -2.151 -1.156 -3.658 1.00 0.00 C ATOM 473 CD1 ILE A 35 -5.603 -0.854 -2.039 1.00 0.00 C ATOM 0 H ILE A 35 -6.030 -1.956 -4.530 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.066 0.097 -5.241 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.920 -2.317 -3.386 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.569 -0.287 -1.735 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.392 0.628 -2.982 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.750 -1.394 -2.673 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.738 -1.845 -4.395 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.878 -0.135 -3.924 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.970 -0.157 -1.285 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.319 -0.912 -2.859 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.483 -1.841 -1.592 1.00 0.00 H new ATOM 485 N LYS A 36 -2.934 -1.177 -7.038 1.00 0.00 N ATOM 486 CA LYS A 36 -2.240 -1.890 -8.104 1.00 0.00 C ATOM 487 C LYS A 36 -0.885 -2.399 -7.624 1.00 0.00 C ATOM 488 O LYS A 36 0.096 -1.656 -7.600 1.00 0.00 O ATOM 489 CB LYS A 36 -2.053 -0.977 -9.318 1.00 0.00 C ATOM 490 CG LYS A 36 -1.937 -1.730 -10.632 1.00 0.00 C ATOM 491 CD LYS A 36 -2.243 -0.831 -11.819 1.00 0.00 C ATOM 492 CE LYS A 36 -1.004 -0.082 -12.285 1.00 0.00 C ATOM 493 NZ LYS A 36 -0.164 -0.911 -13.194 1.00 0.00 N ATOM 0 H LYS A 36 -2.881 -0.161 -7.106 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.849 -2.747 -8.392 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.895 -0.288 -9.377 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.157 -0.374 -9.174 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.930 -2.136 -10.732 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.624 -2.577 -10.629 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.637 -1.431 -12.639 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.020 -0.117 -11.545 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.304 0.831 -12.799 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.414 0.219 -11.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.670 -0.365 -13.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.143 -1.770 -12.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.718 -1.177 -14.033 1.00 0.00 H new ATOM 507 N VAL A 37 -0.837 -3.672 -7.244 1.00 0.00 N ATOM 508 CA VAL A 37 0.399 -4.282 -6.768 1.00 0.00 C ATOM 509 C VAL A 37 1.471 -4.270 -7.852 1.00 0.00 C ATOM 510 O VAL A 37 1.307 -4.880 -8.910 1.00 0.00 O ATOM 511 CB VAL A 37 0.168 -5.733 -6.306 1.00 0.00 C ATOM 512 CG1 VAL A 37 1.452 -6.328 -5.750 1.00 0.00 C ATOM 513 CG2 VAL A 37 -0.947 -5.791 -5.272 1.00 0.00 C ATOM 0 H VAL A 37 -1.640 -4.301 -7.257 1.00 0.00 H new ATOM 0 HA VAL A 37 0.738 -3.688 -5.919 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.135 -6.326 -7.169 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.269 -7.353 -5.429 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.220 -6.322 -6.523 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.789 -5.736 -4.899 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.097 -6.823 -4.956 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.675 -5.184 -4.409 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.869 -5.408 -5.709 1.00 0.00 H new ATOM 523 N LEU A 38 2.570 -3.574 -7.582 1.00 0.00 N ATOM 524 CA LEU A 38 3.671 -3.483 -8.535 1.00 0.00 C ATOM 525 C LEU A 38 4.624 -4.664 -8.380 1.00 0.00 C ATOM 526 O LEU A 38 5.126 -5.203 -9.366 1.00 0.00 O ATOM 527 CB LEU A 38 4.431 -2.170 -8.342 1.00 0.00 C ATOM 528 CG LEU A 38 3.703 -0.901 -8.785 1.00 0.00 C ATOM 529 CD1 LEU A 38 4.420 0.335 -8.266 1.00 0.00 C ATOM 530 CD2 LEU A 38 3.586 -0.855 -10.301 1.00 0.00 C ATOM 0 H LEU A 38 2.722 -3.065 -6.712 1.00 0.00 H new ATOM 0 HA LEU A 38 3.252 -3.508 -9.541 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.682 -2.071 -7.286 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.372 -2.234 -8.889 1.00 0.00 H new ATOM 0 HG LEU A 38 2.698 -0.916 -8.363 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.887 1.228 -8.592 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.451 0.307 -7.177 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.437 0.357 -8.657 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.065 0.055 -10.598 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.582 -0.864 -10.743 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.027 -1.723 -10.649 1.00 0.00 H new ATOM 542 N ASP A 39 4.868 -5.061 -7.135 1.00 0.00 N ATOM 543 CA ASP A 39 5.758 -6.180 -6.851 1.00 0.00 C ATOM 544 C ASP A 39 5.228 -7.015 -5.689 1.00 0.00 C ATOM 545 O ASP A 39 5.022 -6.504 -4.588 1.00 0.00 O ATOM 546 CB ASP A 39 7.164 -5.672 -6.529 1.00 0.00 C ATOM 547 CG ASP A 39 7.716 -4.769 -7.615 1.00 0.00 C ATOM 548 OD1 ASP A 39 8.093 -5.291 -8.685 1.00 0.00 O ATOM 549 OD2 ASP A 39 7.772 -3.541 -7.395 1.00 0.00 O ATOM 0 H ASP A 39 4.462 -4.624 -6.307 1.00 0.00 H new ATOM 0 HA ASP A 39 5.802 -6.811 -7.739 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.143 -5.129 -5.584 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.832 -6.522 -6.393 1.00 0.00 H new ATOM 554 N ALA A 40 5.008 -8.300 -5.943 1.00 0.00 N ATOM 555 CA ALA A 40 4.502 -9.206 -4.918 1.00 0.00 C ATOM 556 C ALA A 40 4.497 -10.648 -5.414 1.00 0.00 C ATOM 557 O ALA A 40 3.650 -11.034 -6.220 1.00 0.00 O ATOM 558 CB ALA A 40 3.103 -8.788 -4.489 1.00 0.00 C ATOM 0 H ALA A 40 5.172 -8.738 -6.849 1.00 0.00 H new ATOM 0 HA ALA A 40 5.167 -9.148 -4.056 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.737 -9.473 -3.724 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.133 -7.776 -4.086 1.00 0.00 H new ATOM 0 HB3 ALA A 40 2.435 -8.816 -5.350 1.00 0.00 H new ATOM 611 N ASP A 44 5.961 -10.892 2.530 1.00 0.00 N ATOM 612 CA ASP A 44 4.856 -10.517 3.405 1.00 0.00 C ATOM 613 C ASP A 44 4.396 -9.091 3.119 1.00 0.00 C ATOM 614 O ASP A 44 3.198 -8.821 3.031 1.00 0.00 O ATOM 615 CB ASP A 44 5.272 -10.648 4.871 1.00 0.00 C ATOM 616 CG ASP A 44 4.083 -10.811 5.798 1.00 0.00 C ATOM 617 OD1 ASP A 44 3.009 -10.253 5.489 1.00 0.00 O ATOM 618 OD2 ASP A 44 4.225 -11.497 6.831 1.00 0.00 O ATOM 0 HA ASP A 44 4.024 -11.194 3.210 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.936 -11.505 4.982 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.840 -9.765 5.165 1.00 0.00 H new ATOM 623 N TRP A 45 5.354 -8.183 2.977 1.00 0.00 N ATOM 624 CA TRP A 45 5.047 -6.784 2.702 1.00 0.00 C ATOM 625 C TRP A 45 5.350 -6.435 1.249 1.00 0.00 C ATOM 626 O TRP A 45 6.491 -6.542 0.801 1.00 0.00 O ATOM 627 CB TRP A 45 5.846 -5.873 3.635 1.00 0.00 C ATOM 628 CG TRP A 45 5.300 -5.827 5.031 1.00 0.00 C ATOM 629 CD1 TRP A 45 5.516 -6.737 6.025 1.00 0.00 C ATOM 630 CD2 TRP A 45 4.448 -4.818 5.585 1.00 0.00 C ATOM 631 NE1 TRP A 45 4.848 -6.356 7.164 1.00 0.00 N ATOM 632 CE2 TRP A 45 4.186 -5.182 6.920 1.00 0.00 C ATOM 633 CE3 TRP A 45 3.882 -3.643 5.084 1.00 0.00 C ATOM 634 CZ2 TRP A 45 3.383 -4.412 7.757 1.00 0.00 C ATOM 635 CZ3 TRP A 45 3.084 -2.881 5.915 1.00 0.00 C ATOM 636 CH2 TRP A 45 2.842 -3.267 7.240 1.00 0.00 C ATOM 0 H TRP A 45 6.350 -8.390 3.048 1.00 0.00 H new ATOM 0 HA TRP A 45 3.982 -6.630 2.878 1.00 0.00 H new ATOM 0 HB2 TRP A 45 6.880 -6.216 3.668 1.00 0.00 H new ATOM 0 HB3 TRP A 45 5.858 -4.864 3.224 1.00 0.00 H new ATOM 0 HD1 TRP A 45 6.123 -7.626 5.930 1.00 0.00 H new ATOM 0 HE1 TRP A 45 4.846 -6.865 8.048 1.00 0.00 H new ATOM 0 HE3 TRP A 45 4.065 -3.336 4.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 3.194 -4.708 8.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 2.639 -1.972 5.537 1.00 0.00 H new ATOM 0 HH2 TRP A 45 2.216 -2.648 7.866 1.00 0.00 H new ATOM 647 N TRP A 46 4.322 -6.019 0.519 1.00 0.00 N ATOM 648 CA TRP A 46 4.479 -5.654 -0.884 1.00 0.00 C ATOM 649 C TRP A 46 4.291 -4.154 -1.081 1.00 0.00 C ATOM 650 O TRP A 46 3.880 -3.445 -0.163 1.00 0.00 O ATOM 651 CB TRP A 46 3.479 -6.424 -1.748 1.00 0.00 C ATOM 652 CG TRP A 46 3.399 -7.881 -1.408 1.00 0.00 C ATOM 653 CD1 TRP A 46 4.432 -8.695 -1.040 1.00 0.00 C ATOM 654 CD2 TRP A 46 2.222 -8.697 -1.405 1.00 0.00 C ATOM 655 NE1 TRP A 46 3.969 -9.968 -0.810 1.00 0.00 N ATOM 656 CE2 TRP A 46 2.617 -9.995 -1.026 1.00 0.00 C ATOM 657 CE3 TRP A 46 0.874 -8.458 -1.685 1.00 0.00 C ATOM 658 CZ2 TRP A 46 1.711 -11.047 -0.921 1.00 0.00 C ATOM 659 CZ3 TRP A 46 -0.024 -9.503 -1.580 1.00 0.00 C ATOM 660 CH2 TRP A 46 0.397 -10.784 -1.201 1.00 0.00 C ATOM 0 H TRP A 46 3.371 -5.926 0.875 1.00 0.00 H new ATOM 0 HA TRP A 46 5.491 -5.917 -1.191 1.00 0.00 H new ATOM 0 HB2 TRP A 46 2.491 -5.977 -1.634 1.00 0.00 H new ATOM 0 HB3 TRP A 46 3.758 -6.318 -2.796 1.00 0.00 H new ATOM 0 HD1 TRP A 46 5.462 -8.384 -0.944 1.00 0.00 H new ATOM 0 HE1 TRP A 46 4.540 -10.764 -0.525 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.540 -7.474 -1.978 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 2.033 -12.036 -0.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.068 -9.329 -1.794 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -0.329 -11.580 -1.128 1.00 0.00 H new ATOM 671 N TRP A 47 4.592 -3.677 -2.284 1.00 0.00 N ATOM 672 CA TRP A 47 4.455 -2.260 -2.600 1.00 0.00 C ATOM 673 C TRP A 47 3.338 -2.034 -3.612 1.00 0.00 C ATOM 674 O TRP A 47 3.433 -2.461 -4.762 1.00 0.00 O ATOM 675 CB TRP A 47 5.774 -1.708 -3.146 1.00 0.00 C ATOM 676 CG TRP A 47 5.751 -0.226 -3.369 1.00 0.00 C ATOM 677 CD1 TRP A 47 5.574 0.421 -4.558 1.00 0.00 C ATOM 678 CD2 TRP A 47 5.912 0.792 -2.375 1.00 0.00 C ATOM 679 NE1 TRP A 47 5.615 1.781 -4.364 1.00 0.00 N ATOM 680 CE2 TRP A 47 5.821 2.034 -3.034 1.00 0.00 C ATOM 681 CE3 TRP A 47 6.123 0.776 -0.994 1.00 0.00 C ATOM 682 CZ2 TRP A 47 5.935 3.245 -2.356 1.00 0.00 C ATOM 683 CZ3 TRP A 47 6.236 1.979 -0.323 1.00 0.00 C ATOM 684 CH2 TRP A 47 6.141 3.200 -1.004 1.00 0.00 C ATOM 0 H TRP A 47 4.932 -4.250 -3.056 1.00 0.00 H new ATOM 0 HA TRP A 47 4.200 -1.731 -1.681 1.00 0.00 H new ATOM 0 HB2 TRP A 47 6.577 -1.951 -2.450 1.00 0.00 H new ATOM 0 HB3 TRP A 47 6.006 -2.206 -4.087 1.00 0.00 H new ATOM 0 HD1 TRP A 47 5.424 -0.064 -5.511 1.00 0.00 H new ATOM 0 HE1 TRP A 47 5.509 2.487 -5.092 1.00 0.00 H new ATOM 0 HE3 TRP A 47 6.197 -0.160 -0.460 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 5.863 4.187 -2.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 6.400 1.978 0.744 1.00 0.00 H new ATOM 0 HH2 TRP A 47 6.232 4.123 -0.451 1.00 0.00 H new ATOM 695 N GLY A 48 2.278 -1.358 -3.177 1.00 0.00 N ATOM 696 CA GLY A 48 1.158 -1.087 -4.058 1.00 0.00 C ATOM 697 C GLY A 48 1.114 0.358 -4.512 1.00 0.00 C ATOM 698 O GLY A 48 1.584 1.251 -3.808 1.00 0.00 O ATOM 0 H GLY A 48 2.176 -0.994 -2.230 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.221 -1.737 -4.931 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.228 -1.332 -3.544 1.00 0.00 H new ATOM 702 N GLN A 49 0.549 0.589 -5.693 1.00 0.00 N ATOM 703 CA GLN A 49 0.448 1.937 -6.241 1.00 0.00 C ATOM 704 C GLN A 49 -1.011 2.355 -6.392 1.00 0.00 C ATOM 705 O GLN A 49 -1.840 1.586 -6.879 1.00 0.00 O ATOM 706 CB GLN A 49 1.156 2.014 -7.595 1.00 0.00 C ATOM 707 CG GLN A 49 0.948 3.336 -8.315 1.00 0.00 C ATOM 708 CD GLN A 49 -0.272 3.326 -9.215 1.00 0.00 C ATOM 709 OE1 GLN A 49 -0.984 2.325 -9.303 1.00 0.00 O ATOM 710 NE2 GLN A 49 -0.521 4.443 -9.889 1.00 0.00 N ATOM 0 H GLN A 49 0.154 -0.139 -6.288 1.00 0.00 H new ATOM 0 HA GLN A 49 0.933 2.622 -5.546 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.224 1.854 -7.447 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.798 1.204 -8.230 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.845 4.134 -7.579 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.832 3.564 -8.911 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.096 5.249 -9.786 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.329 4.495 -10.510 1.00 0.00 H new ATOM 719 N ILE A 50 -1.317 3.578 -5.971 1.00 0.00 N ATOM 720 CA ILE A 50 -2.675 4.098 -6.060 1.00 0.00 C ATOM 721 C ILE A 50 -2.762 5.238 -7.069 1.00 0.00 C ATOM 722 O ILE A 50 -1.771 5.915 -7.343 1.00 0.00 O ATOM 723 CB ILE A 50 -3.177 4.598 -4.693 1.00 0.00 C ATOM 724 CG1 ILE A 50 -3.398 3.419 -3.743 1.00 0.00 C ATOM 725 CG2 ILE A 50 -4.461 5.398 -4.860 1.00 0.00 C ATOM 726 CD1 ILE A 50 -3.809 3.835 -2.348 1.00 0.00 C ATOM 0 H ILE A 50 -0.642 4.227 -5.565 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.307 3.274 -6.391 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.418 5.251 -4.261 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.165 2.766 -4.159 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.480 2.834 -3.683 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.803 5.744 -3.885 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.274 6.257 -5.505 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.227 4.767 -5.310 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.948 2.948 -1.730 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.032 4.463 -1.912 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -4.743 4.394 -2.396 1.00 0.00 H new ATOM 738 N ASP A 51 -3.954 5.445 -7.618 1.00 0.00 N ATOM 739 CA ASP A 51 -4.173 6.506 -8.595 1.00 0.00 C ATOM 740 C ASP A 51 -3.266 7.700 -8.312 1.00 0.00 C ATOM 741 O ASP A 51 -2.412 8.050 -9.127 1.00 0.00 O ATOM 742 CB ASP A 51 -5.637 6.947 -8.582 1.00 0.00 C ATOM 743 CG ASP A 51 -6.576 5.851 -9.043 1.00 0.00 C ATOM 744 OD1 ASP A 51 -6.655 4.810 -8.358 1.00 0.00 O ATOM 745 OD2 ASP A 51 -7.232 6.033 -10.091 1.00 0.00 O ATOM 0 H ASP A 51 -4.784 4.892 -7.403 1.00 0.00 H new ATOM 0 HA ASP A 51 -3.930 6.113 -9.582 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.911 7.256 -7.573 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.757 7.818 -9.226 1.00 0.00 H new ATOM 750 N ASP A 52 -3.458 8.321 -7.154 1.00 0.00 N ATOM 751 CA ASP A 52 -2.658 9.476 -6.764 1.00 0.00 C ATOM 752 C ASP A 52 -2.067 9.282 -5.371 1.00 0.00 C ATOM 753 O ASP A 52 -1.732 10.250 -4.689 1.00 0.00 O ATOM 754 CB ASP A 52 -3.507 10.747 -6.799 1.00 0.00 C ATOM 755 CG ASP A 52 -3.588 11.352 -8.187 1.00 0.00 C ATOM 756 OD1 ASP A 52 -4.466 10.929 -8.968 1.00 0.00 O ATOM 757 OD2 ASP A 52 -2.775 12.249 -8.491 1.00 0.00 O ATOM 0 H ASP A 52 -4.161 8.044 -6.469 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.839 9.577 -7.476 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.513 10.518 -6.446 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.087 11.480 -6.110 1.00 0.00 H new ATOM 762 N GLU A 53 -1.944 8.026 -4.955 1.00 0.00 N ATOM 763 CA GLU A 53 -1.395 7.706 -3.643 1.00 0.00 C ATOM 764 C GLU A 53 -0.319 6.630 -3.750 1.00 0.00 C ATOM 765 O GLU A 53 -0.341 5.805 -4.663 1.00 0.00 O ATOM 766 CB GLU A 53 -2.507 7.239 -2.701 1.00 0.00 C ATOM 767 CG GLU A 53 -3.143 8.366 -1.904 1.00 0.00 C ATOM 768 CD GLU A 53 -2.126 9.171 -1.118 1.00 0.00 C ATOM 769 OE1 GLU A 53 -1.137 8.574 -0.643 1.00 0.00 O ATOM 770 OE2 GLU A 53 -2.319 10.396 -0.978 1.00 0.00 O ATOM 0 H GLU A 53 -2.217 7.213 -5.508 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.940 8.610 -3.238 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.279 6.737 -3.284 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.100 6.501 -2.010 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.679 9.029 -2.583 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.880 7.949 -1.218 1.00 0.00 H new ATOM 777 N GLU A 54 0.622 6.646 -2.811 1.00 0.00 N ATOM 778 CA GLU A 54 1.708 5.673 -2.801 1.00 0.00 C ATOM 779 C GLU A 54 2.274 5.503 -1.394 1.00 0.00 C ATOM 780 O GLU A 54 2.230 6.425 -0.581 1.00 0.00 O ATOM 781 CB GLU A 54 2.819 6.104 -3.761 1.00 0.00 C ATOM 782 CG GLU A 54 2.343 6.306 -5.190 1.00 0.00 C ATOM 783 CD GLU A 54 3.423 6.877 -6.089 1.00 0.00 C ATOM 784 OE1 GLU A 54 4.189 6.083 -6.674 1.00 0.00 O ATOM 785 OE2 GLU A 54 3.502 8.117 -6.207 1.00 0.00 O ATOM 0 H GLU A 54 0.654 7.322 -2.048 1.00 0.00 H new ATOM 0 HA GLU A 54 1.305 4.715 -3.130 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.261 7.033 -3.399 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.608 5.352 -3.752 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.005 5.352 -5.595 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.483 6.975 -5.191 1.00 0.00 H new ATOM 792 N GLY A 55 2.806 4.317 -1.116 1.00 0.00 N ATOM 793 CA GLY A 55 3.373 4.047 0.193 1.00 0.00 C ATOM 794 C GLY A 55 3.413 2.566 0.513 1.00 0.00 C ATOM 795 O GLY A 55 3.488 1.731 -0.388 1.00 0.00 O ATOM 0 H GLY A 55 2.855 3.538 -1.773 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.384 4.453 0.239 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.787 4.564 0.953 1.00 0.00 H new ATOM 799 N TRP A 56 3.363 2.240 1.799 1.00 0.00 N ATOM 800 CA TRP A 56 3.396 0.848 2.236 1.00 0.00 C ATOM 801 C TRP A 56 2.015 0.389 2.692 1.00 0.00 C ATOM 802 O TRP A 56 1.442 0.946 3.628 1.00 0.00 O ATOM 803 CB TRP A 56 4.406 0.672 3.371 1.00 0.00 C ATOM 804 CG TRP A 56 5.804 0.428 2.889 1.00 0.00 C ATOM 805 CD1 TRP A 56 6.889 1.234 3.081 1.00 0.00 C ATOM 806 CD2 TRP A 56 6.265 -0.698 2.135 1.00 0.00 C ATOM 807 NE1 TRP A 56 7.998 0.677 2.491 1.00 0.00 N ATOM 808 CE2 TRP A 56 7.642 -0.509 1.904 1.00 0.00 C ATOM 809 CE3 TRP A 56 5.650 -1.848 1.633 1.00 0.00 C ATOM 810 CZ2 TRP A 56 8.410 -1.427 1.193 1.00 0.00 C ATOM 811 CZ3 TRP A 56 6.414 -2.758 0.927 1.00 0.00 C ATOM 812 CH2 TRP A 56 7.782 -2.544 0.713 1.00 0.00 C ATOM 0 H TRP A 56 3.300 2.919 2.557 1.00 0.00 H new ATOM 0 HA TRP A 56 3.702 0.234 1.389 1.00 0.00 H new ATOM 0 HB2 TRP A 56 4.396 1.563 3.998 1.00 0.00 H new ATOM 0 HB3 TRP A 56 4.095 -0.163 3.999 1.00 0.00 H new ATOM 0 HD1 TRP A 56 6.877 2.171 3.618 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.935 1.081 2.490 1.00 0.00 H new ATOM 0 HE3 TRP A 56 4.596 -2.023 1.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 9.464 -1.263 1.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 5.948 -3.649 0.533 1.00 0.00 H new ATOM 0 HH2 TRP A 56 8.352 -3.275 0.158 1.00 0.00 H new ATOM 823 N PHE A 57 1.486 -0.632 2.025 1.00 0.00 N ATOM 824 CA PHE A 57 0.172 -1.166 2.362 1.00 0.00 C ATOM 825 C PHE A 57 0.274 -2.623 2.803 1.00 0.00 C ATOM 826 O PHE A 57 1.076 -3.401 2.285 1.00 0.00 O ATOM 827 CB PHE A 57 -0.772 -1.049 1.163 1.00 0.00 C ATOM 828 CG PHE A 57 -0.606 -2.154 0.159 1.00 0.00 C ATOM 829 CD1 PHE A 57 0.517 -2.207 -0.652 1.00 0.00 C ATOM 830 CD2 PHE A 57 -1.571 -3.139 0.026 1.00 0.00 C ATOM 831 CE1 PHE A 57 0.672 -3.222 -1.577 1.00 0.00 C ATOM 832 CE2 PHE A 57 -1.421 -4.156 -0.897 1.00 0.00 C ATOM 833 CZ PHE A 57 -0.297 -4.199 -1.699 1.00 0.00 C ATOM 0 H PHE A 57 1.947 -1.106 1.248 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.229 -0.581 3.190 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -1.802 -1.045 1.520 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.603 -0.092 0.669 1.00 0.00 H new ATOM 0 HD1 PHE A 57 1.279 -1.447 -0.560 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.451 -3.112 0.651 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.551 -3.251 -2.204 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.182 -4.917 -0.991 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.176 -4.994 -2.420 1.00 0.00 H new ATOM 843 N PRO A 58 -0.558 -3.004 3.784 1.00 0.00 N ATOM 844 CA PRO A 58 -0.582 -4.369 4.317 1.00 0.00 C ATOM 845 C PRO A 58 -1.145 -5.372 3.317 1.00 0.00 C ATOM 846 O PRO A 58 -2.185 -5.134 2.703 1.00 0.00 O ATOM 847 CB PRO A 58 -1.499 -4.257 5.537 1.00 0.00 C ATOM 848 CG PRO A 58 -2.379 -3.091 5.245 1.00 0.00 C ATOM 849 CD PRO A 58 -1.541 -2.130 4.448 1.00 0.00 C ATOM 0 HA PRO A 58 0.418 -4.733 4.551 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.082 -5.167 5.679 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -0.925 -4.101 6.450 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -3.261 -3.399 4.683 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -2.733 -2.629 6.166 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.141 -1.578 3.725 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.056 -1.393 5.088 1.00 0.00 H new ATOM 857 N ALA A 59 -0.453 -6.496 3.159 1.00 0.00 N ATOM 858 CA ALA A 59 -0.886 -7.536 2.235 1.00 0.00 C ATOM 859 C ALA A 59 -1.873 -8.487 2.903 1.00 0.00 C ATOM 860 O ALA A 59 -2.461 -9.348 2.247 1.00 0.00 O ATOM 861 CB ALA A 59 0.315 -8.306 1.705 1.00 0.00 C ATOM 0 H ALA A 59 0.410 -6.709 3.659 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.393 -7.055 1.398 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.024 -9.080 1.016 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.984 -7.622 1.182 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.847 -8.768 2.537 1.00 0.00 H new ATOM 867 N SER A 60 -2.050 -8.327 4.210 1.00 0.00 N ATOM 868 CA SER A 60 -2.963 -9.175 4.968 1.00 0.00 C ATOM 869 C SER A 60 -4.346 -8.538 5.059 1.00 0.00 C ATOM 870 O SER A 60 -5.337 -9.215 5.334 1.00 0.00 O ATOM 871 CB SER A 60 -2.411 -9.427 6.372 1.00 0.00 C ATOM 872 OG SER A 60 -2.706 -8.344 7.238 1.00 0.00 O ATOM 0 H SER A 60 -1.573 -7.618 4.767 1.00 0.00 H new ATOM 0 HA SER A 60 -3.055 -10.127 4.445 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.838 -10.345 6.775 1.00 0.00 H new ATOM 0 HB3 SER A 60 -1.332 -9.573 6.321 1.00 0.00 H new ATOM 0 HG SER A 60 -2.344 -8.530 8.130 1.00 0.00 H new ATOM 878 N PHE A 61 -4.405 -7.231 4.827 1.00 0.00 N ATOM 879 CA PHE A 61 -5.666 -6.500 4.884 1.00 0.00 C ATOM 880 C PHE A 61 -6.233 -6.285 3.484 1.00 0.00 C ATOM 881 O PHE A 61 -7.003 -5.353 3.250 1.00 0.00 O ATOM 882 CB PHE A 61 -5.468 -5.152 5.579 1.00 0.00 C ATOM 883 CG PHE A 61 -5.684 -5.206 7.064 1.00 0.00 C ATOM 884 CD1 PHE A 61 -5.076 -6.187 7.831 1.00 0.00 C ATOM 885 CD2 PHE A 61 -6.495 -4.275 7.694 1.00 0.00 C ATOM 886 CE1 PHE A 61 -5.274 -6.239 9.198 1.00 0.00 C ATOM 887 CE2 PHE A 61 -6.697 -4.322 9.061 1.00 0.00 C ATOM 888 CZ PHE A 61 -6.085 -5.305 9.814 1.00 0.00 C ATOM 0 H PHE A 61 -3.594 -6.656 4.598 1.00 0.00 H new ATOM 0 HA PHE A 61 -6.377 -7.095 5.458 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.458 -4.794 5.380 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.155 -4.425 5.146 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.440 -6.919 7.355 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.975 -3.504 7.110 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.795 -7.009 9.784 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.332 -3.591 9.539 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.240 -5.344 10.882 1.00 0.00 H new ATOM 898 N VAL A 62 -5.847 -7.154 2.555 1.00 0.00 N ATOM 899 CA VAL A 62 -6.316 -7.060 1.178 1.00 0.00 C ATOM 900 C VAL A 62 -6.507 -8.444 0.567 1.00 0.00 C ATOM 901 O VAL A 62 -5.695 -9.344 0.778 1.00 0.00 O ATOM 902 CB VAL A 62 -5.335 -6.257 0.304 1.00 0.00 C ATOM 903 CG1 VAL A 62 -5.131 -4.861 0.874 1.00 0.00 C ATOM 904 CG2 VAL A 62 -4.008 -6.990 0.180 1.00 0.00 C ATOM 0 H VAL A 62 -5.210 -7.931 2.731 1.00 0.00 H new ATOM 0 HA VAL A 62 -7.275 -6.542 1.205 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.763 -6.157 -0.693 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.435 -4.309 0.243 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.087 -4.337 0.905 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.725 -4.936 1.883 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.327 -6.408 -0.441 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.572 -7.123 1.170 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.172 -7.965 -0.278 1.00 0.00 H new ATOM 914 N ARG A 63 -7.587 -8.606 -0.191 1.00 0.00 N ATOM 915 CA ARG A 63 -7.886 -9.880 -0.833 1.00 0.00 C ATOM 916 C ARG A 63 -7.601 -9.815 -2.331 1.00 0.00 C ATOM 917 O ARG A 63 -8.210 -9.026 -3.055 1.00 0.00 O ATOM 918 CB ARG A 63 -9.348 -10.264 -0.597 1.00 0.00 C ATOM 919 CG ARG A 63 -10.328 -9.142 -0.897 1.00 0.00 C ATOM 920 CD ARG A 63 -11.765 -9.580 -0.660 1.00 0.00 C ATOM 921 NE ARG A 63 -12.281 -10.385 -1.764 1.00 0.00 N ATOM 922 CZ ARG A 63 -13.295 -11.235 -1.642 1.00 0.00 C ATOM 923 NH1 ARG A 63 -13.898 -11.389 -0.472 1.00 0.00 N ATOM 924 NH2 ARG A 63 -13.707 -11.933 -2.693 1.00 0.00 N ATOM 0 H ARG A 63 -8.269 -7.871 -0.375 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.242 -10.640 -0.391 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -9.593 -11.125 -1.218 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -9.470 -10.574 0.441 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.101 -8.281 -0.269 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -10.210 -8.821 -1.932 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.821 -10.154 0.265 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -12.395 -8.700 -0.527 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.839 -10.290 -2.678 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -13.584 -10.854 0.338 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -14.676 -12.042 -0.381 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -13.245 -11.817 -3.595 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -14.485 -12.585 -2.599 1.00 0.00 H new ATOM 938 N LEU A 64 -6.674 -10.649 -2.788 1.00 0.00 N ATOM 939 CA LEU A 64 -6.308 -10.686 -4.200 1.00 0.00 C ATOM 940 C LEU A 64 -7.551 -10.731 -5.083 1.00 0.00 C ATOM 941 O LEU A 64 -8.626 -11.133 -4.639 1.00 0.00 O ATOM 942 CB LEU A 64 -5.421 -11.899 -4.485 1.00 0.00 C ATOM 943 CG LEU A 64 -4.073 -11.929 -3.764 1.00 0.00 C ATOM 944 CD1 LEU A 64 -3.379 -13.265 -3.984 1.00 0.00 C ATOM 945 CD2 LEU A 64 -3.189 -10.783 -4.237 1.00 0.00 C ATOM 0 H LEU A 64 -6.162 -11.309 -2.202 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.754 -9.776 -4.431 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.974 -12.799 -4.217 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.237 -11.946 -5.558 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.252 -11.807 -2.696 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.421 -13.268 -3.463 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.005 -14.068 -3.596 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.213 -13.417 -5.050 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.234 -10.820 -3.713 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.018 -10.874 -5.310 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.681 -9.833 -4.027 1.00 0.00 H new ATOM 957 N TRP A 65 -7.395 -10.318 -6.336 1.00 0.00 N ATOM 958 CA TRP A 65 -8.504 -10.314 -7.283 1.00 0.00 C ATOM 959 C TRP A 65 -8.778 -11.719 -7.807 1.00 0.00 C ATOM 960 O TRP A 65 -9.929 -12.144 -7.901 1.00 0.00 O ATOM 961 CB TRP A 65 -8.203 -9.371 -8.449 1.00 0.00 C ATOM 962 CG TRP A 65 -8.650 -7.962 -8.203 1.00 0.00 C ATOM 963 CD1 TRP A 65 -8.585 -7.275 -7.025 1.00 0.00 C ATOM 964 CD2 TRP A 65 -9.232 -7.068 -9.159 1.00 0.00 C ATOM 965 NE1 TRP A 65 -9.092 -6.008 -7.190 1.00 0.00 N ATOM 966 CE2 TRP A 65 -9.494 -5.857 -8.491 1.00 0.00 C ATOM 967 CE3 TRP A 65 -9.554 -7.174 -10.515 1.00 0.00 C ATOM 968 CZ2 TRP A 65 -10.065 -4.761 -9.133 1.00 0.00 C ATOM 969 CZ3 TRP A 65 -10.121 -6.086 -11.151 1.00 0.00 C ATOM 970 CH2 TRP A 65 -10.371 -4.892 -10.461 1.00 0.00 C ATOM 0 H TRP A 65 -6.512 -9.982 -6.719 1.00 0.00 H new ATOM 0 HA TRP A 65 -9.393 -9.962 -6.761 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -7.130 -9.376 -8.643 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -8.691 -9.748 -9.347 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -8.193 -7.669 -6.099 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -9.158 -5.296 -6.462 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -9.363 -8.089 -11.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -10.259 -3.841 -8.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -10.376 -6.157 -12.198 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -10.814 -4.059 -10.987 1.00 0.00 H new