USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 410 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 10 THR OG1 : rot 21:sc= 0.203 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl -167:sc= -0.131 (180deg=-0.491) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -1.78! C(o=-1.8!,f=-2.2!) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -3.02 K(o=-3,f=-12!) USER MOD Single : A 52 ASN : amide:sc= -0.0238 X(o=-0.024,f=-0.37) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD Single : A 61 THR OG1 : rot -97:sc= 0.291 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 93 N THR A 10 0.424 12.977 -1.380 1.00 0.00 N ATOM 94 CA THR A 10 -0.450 12.005 -0.734 1.00 0.00 C ATOM 95 C THR A 10 0.254 10.664 -0.561 1.00 0.00 C ATOM 96 O THR A 10 0.977 10.211 -1.448 1.00 0.00 O ATOM 97 CB THR A 10 -1.745 11.792 -1.539 1.00 0.00 C ATOM 98 OG1 THR A 10 -2.310 13.057 -1.902 1.00 0.00 O ATOM 99 CG2 THR A 10 -2.757 10.991 -0.734 1.00 0.00 C ATOM 0 HA THR A 10 -0.703 12.409 0.246 1.00 0.00 H new ATOM 0 HB THR A 10 -1.498 11.233 -2.441 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.616 13.748 -1.863 1.00 0.00 H new ATOM 0 HG21 THR A 10 -3.664 10.853 -1.323 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.335 10.017 -0.485 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.999 11.527 0.184 1.00 0.00 H new ATOM 107 N LYS A 11 0.037 10.031 0.587 1.00 0.00 N ATOM 108 CA LYS A 11 0.648 8.740 0.877 1.00 0.00 C ATOM 109 C LYS A 11 -0.411 7.708 1.252 1.00 0.00 C ATOM 110 O LYS A 11 -1.537 8.060 1.602 1.00 0.00 O ATOM 111 CB LYS A 11 1.665 8.877 2.012 1.00 0.00 C ATOM 112 CG LYS A 11 2.843 9.773 1.669 1.00 0.00 C ATOM 113 CD LYS A 11 4.082 9.393 2.461 1.00 0.00 C ATOM 114 CE LYS A 11 5.353 9.852 1.762 1.00 0.00 C ATOM 115 NZ LYS A 11 5.632 11.294 2.010 1.00 0.00 N ATOM 0 H LYS A 11 -0.558 10.392 1.332 1.00 0.00 H new ATOM 0 HA LYS A 11 1.160 8.399 -0.023 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.162 9.274 2.893 1.00 0.00 H new ATOM 0 HB3 LYS A 11 2.037 7.887 2.276 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.056 9.703 0.602 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.583 10.811 1.874 1.00 0.00 H new ATOM 0 HD2 LYS A 11 4.031 9.838 3.455 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.111 8.312 2.597 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.195 9.254 2.110 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.261 9.679 0.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.506 11.568 1.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.840 11.867 1.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.745 11.455 3.031 1.00 0.00 H new ATOM 129 N ALA A 12 -0.042 6.434 1.178 1.00 0.00 N ATOM 130 CA ALA A 12 -0.960 5.352 1.512 1.00 0.00 C ATOM 131 C ALA A 12 -0.279 4.307 2.391 1.00 0.00 C ATOM 132 O ALA A 12 0.943 4.162 2.365 1.00 0.00 O ATOM 133 CB ALA A 12 -1.501 4.707 0.245 1.00 0.00 C ATOM 0 H ALA A 12 0.886 6.125 0.890 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.793 5.776 2.074 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.185 3.901 0.511 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.032 5.454 -0.345 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.674 4.303 -0.339 1.00 0.00 H new ATOM 139 N ARG A 13 -1.078 3.583 3.167 1.00 0.00 N ATOM 140 CA ARG A 13 -0.553 2.552 4.055 1.00 0.00 C ATOM 141 C ARG A 13 -1.004 1.166 3.606 1.00 0.00 C ATOM 142 O ARG A 13 -2.151 0.975 3.200 1.00 0.00 O ATOM 143 CB ARG A 13 -1.007 2.808 5.493 1.00 0.00 C ATOM 144 CG ARG A 13 -0.388 1.857 6.505 1.00 0.00 C ATOM 145 CD ARG A 13 -1.123 1.905 7.836 1.00 0.00 C ATOM 146 NE ARG A 13 -0.315 1.367 8.926 1.00 0.00 N ATOM 147 CZ ARG A 13 -0.502 1.681 10.204 1.00 0.00 C ATOM 148 NH1 ARG A 13 -1.463 2.526 10.548 1.00 0.00 N ATOM 149 NH2 ARG A 13 0.275 1.149 11.139 1.00 0.00 N ATOM 0 H ARG A 13 -2.092 3.691 3.199 1.00 0.00 H new ATOM 0 HA ARG A 13 0.535 2.591 4.013 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.755 3.832 5.768 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.092 2.722 5.543 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.411 0.841 6.112 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.660 2.117 6.657 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.397 2.936 8.062 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.051 1.338 7.759 1.00 0.00 H new ATOM 0 HE ARG A 13 0.434 0.714 8.694 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.061 2.937 9.831 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.604 2.765 11.529 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.016 0.499 10.877 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.131 1.390 12.120 1.00 0.00 H new ATOM 163 N VAL A 14 -0.094 0.200 3.680 1.00 0.00 N ATOM 164 CA VAL A 14 -0.398 -1.170 3.282 1.00 0.00 C ATOM 165 C VAL A 14 -1.080 -1.932 4.413 1.00 0.00 C ATOM 166 O VAL A 14 -0.627 -1.902 5.556 1.00 0.00 O ATOM 167 CB VAL A 14 0.875 -1.928 2.862 1.00 0.00 C ATOM 168 CG1 VAL A 14 0.521 -3.299 2.307 1.00 0.00 C ATOM 169 CG2 VAL A 14 1.665 -1.119 1.843 1.00 0.00 C ATOM 0 H VAL A 14 0.860 0.341 4.012 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.074 -1.109 2.429 1.00 0.00 H new ATOM 0 HB VAL A 14 1.500 -2.069 3.743 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.433 -3.820 2.015 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.001 -3.877 3.071 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.125 -3.183 1.437 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.561 -1.670 1.557 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.049 -0.945 0.961 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.951 -0.162 2.281 1.00 0.00 H new ATOM 179 N MET A 15 -2.172 -2.614 4.084 1.00 0.00 N ATOM 180 CA MET A 15 -2.916 -3.387 5.072 1.00 0.00 C ATOM 181 C MET A 15 -2.667 -4.881 4.895 1.00 0.00 C ATOM 182 O MET A 15 -2.966 -5.680 5.782 1.00 0.00 O ATOM 183 CB MET A 15 -4.413 -3.091 4.961 1.00 0.00 C ATOM 184 CG MET A 15 -4.721 -1.647 4.599 1.00 0.00 C ATOM 185 SD MET A 15 -6.369 -1.136 5.125 1.00 0.00 S ATOM 186 CE MET A 15 -7.283 -1.313 3.596 1.00 0.00 C ATOM 0 H MET A 15 -2.561 -2.647 3.142 1.00 0.00 H new ATOM 0 HA MET A 15 -2.567 -3.094 6.062 1.00 0.00 H new ATOM 0 HB2 MET A 15 -4.850 -3.747 4.208 1.00 0.00 H new ATOM 0 HB3 MET A 15 -4.894 -3.330 5.910 1.00 0.00 H new ATOM 0 HG2 MET A 15 -3.978 -0.995 5.059 1.00 0.00 H new ATOM 0 HG3 MET A 15 -4.632 -1.520 3.520 1.00 0.00 H new ATOM 0 HE1 MET A 15 -8.251 -0.822 3.692 1.00 0.00 H new ATOM 0 HE2 MET A 15 -6.723 -0.854 2.782 1.00 0.00 H new ATOM 0 HE3 MET A 15 -7.432 -2.371 3.382 1.00 0.00 H new ATOM 196 N TYR A 16 -2.118 -5.252 3.743 1.00 0.00 N ATOM 197 CA TYR A 16 -1.831 -6.651 3.449 1.00 0.00 C ATOM 198 C TYR A 16 -0.628 -6.776 2.520 1.00 0.00 C ATOM 199 O TYR A 16 -0.627 -6.243 1.410 1.00 0.00 O ATOM 200 CB TYR A 16 -3.051 -7.320 2.814 1.00 0.00 C ATOM 201 CG TYR A 16 -4.328 -7.122 3.599 1.00 0.00 C ATOM 202 CD1 TYR A 16 -4.667 -7.977 4.640 1.00 0.00 C ATOM 203 CD2 TYR A 16 -5.196 -6.079 3.300 1.00 0.00 C ATOM 204 CE1 TYR A 16 -5.832 -7.800 5.360 1.00 0.00 C ATOM 205 CE2 TYR A 16 -6.363 -5.893 4.015 1.00 0.00 C ATOM 206 CZ TYR A 16 -6.677 -6.756 5.044 1.00 0.00 C ATOM 207 OH TYR A 16 -7.839 -6.576 5.759 1.00 0.00 O ATOM 0 H TYR A 16 -1.863 -4.603 2.998 1.00 0.00 H new ATOM 0 HA TYR A 16 -1.596 -7.153 4.388 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.188 -6.925 1.807 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.858 -8.388 2.714 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -4.008 -8.795 4.891 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.954 -5.402 2.494 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.080 -8.475 6.166 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.026 -5.076 3.770 1.00 0.00 H new ATOM 0 HH TYR A 16 -8.320 -5.796 5.411 1.00 0.00 H new ATOM 217 N ASP A 17 0.396 -7.485 2.982 1.00 0.00 N ATOM 218 CA ASP A 17 1.607 -7.683 2.194 1.00 0.00 C ATOM 219 C ASP A 17 1.264 -8.087 0.764 1.00 0.00 C ATOM 220 O ASP A 17 0.669 -9.140 0.530 1.00 0.00 O ATOM 221 CB ASP A 17 2.493 -8.750 2.840 1.00 0.00 C ATOM 222 CG ASP A 17 1.758 -10.058 3.057 1.00 0.00 C ATOM 223 OD1 ASP A 17 0.844 -10.092 3.907 1.00 0.00 O ATOM 224 OD2 ASP A 17 2.098 -11.049 2.377 1.00 0.00 O ATOM 0 H ASP A 17 0.412 -7.932 3.899 1.00 0.00 H new ATOM 0 HA ASP A 17 2.151 -6.739 2.166 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.364 -8.926 2.209 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.862 -8.381 3.797 1.00 0.00 H new ATOM 229 N PHE A 18 1.642 -7.243 -0.191 1.00 0.00 N ATOM 230 CA PHE A 18 1.372 -7.511 -1.599 1.00 0.00 C ATOM 231 C PHE A 18 2.666 -7.794 -2.356 1.00 0.00 C ATOM 232 O PHE A 18 3.644 -7.057 -2.233 1.00 0.00 O ATOM 233 CB PHE A 18 0.645 -6.325 -2.235 1.00 0.00 C ATOM 234 CG PHE A 18 0.207 -6.579 -3.650 1.00 0.00 C ATOM 235 CD1 PHE A 18 -0.594 -7.667 -3.956 1.00 0.00 C ATOM 236 CD2 PHE A 18 0.598 -5.730 -4.673 1.00 0.00 C ATOM 237 CE1 PHE A 18 -0.999 -7.903 -5.257 1.00 0.00 C ATOM 238 CE2 PHE A 18 0.196 -5.961 -5.975 1.00 0.00 C ATOM 239 CZ PHE A 18 -0.602 -7.050 -6.267 1.00 0.00 C ATOM 0 H PHE A 18 2.136 -6.368 -0.015 1.00 0.00 H new ATOM 0 HA PHE A 18 0.735 -8.394 -1.660 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -0.228 -6.078 -1.631 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.301 -5.455 -2.217 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.906 -8.338 -3.170 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.224 -4.878 -4.450 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.625 -8.754 -5.483 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.505 -5.291 -6.763 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.915 -7.234 -7.284 1.00 0.00 H new ATOM 249 N ALA A 19 2.664 -8.868 -3.139 1.00 0.00 N ATOM 250 CA ALA A 19 3.836 -9.249 -3.917 1.00 0.00 C ATOM 251 C ALA A 19 3.562 -9.135 -5.413 1.00 0.00 C ATOM 252 O ALA A 19 2.979 -10.035 -6.017 1.00 0.00 O ATOM 253 CB ALA A 19 4.268 -10.664 -3.563 1.00 0.00 C ATOM 0 H ALA A 19 1.863 -9.490 -3.251 1.00 0.00 H new ATOM 0 HA ALA A 19 4.645 -8.562 -3.669 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.144 -10.935 -4.152 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.514 -10.715 -2.502 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.456 -11.358 -3.781 1.00 0.00 H new ATOM 259 N ALA A 20 3.987 -8.024 -6.005 1.00 0.00 N ATOM 260 CA ALA A 20 3.789 -7.794 -7.431 1.00 0.00 C ATOM 261 C ALA A 20 4.519 -8.843 -8.263 1.00 0.00 C ATOM 262 O ALA A 20 5.683 -9.150 -8.008 1.00 0.00 O ATOM 263 CB ALA A 20 4.257 -6.397 -7.810 1.00 0.00 C ATOM 0 H ALA A 20 4.471 -7.269 -5.519 1.00 0.00 H new ATOM 0 HA ALA A 20 2.723 -7.878 -7.643 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.103 -6.239 -8.877 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.687 -5.657 -7.248 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.317 -6.292 -7.577 1.00 0.00 H new ATOM 319 N ASN A 25 3.360 -4.793 -14.639 1.00 0.00 N ATOM 320 CA ASN A 25 3.028 -3.395 -14.393 1.00 0.00 C ATOM 321 C ASN A 25 2.542 -3.195 -12.961 1.00 0.00 C ATOM 322 O ASN A 25 1.726 -2.314 -12.690 1.00 0.00 O ATOM 323 CB ASN A 25 1.957 -2.922 -15.378 1.00 0.00 C ATOM 324 CG ASN A 25 2.537 -2.562 -16.733 1.00 0.00 C ATOM 325 OD1 ASN A 25 3.416 -1.707 -16.836 1.00 0.00 O ATOM 326 ND2 ASN A 25 2.044 -3.214 -17.779 1.00 0.00 N ATOM 0 HA ASN A 25 3.931 -2.802 -14.537 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.210 -3.706 -15.502 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.443 -2.055 -14.963 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.394 -3.014 -18.716 1.00 0.00 H new ATOM 0 HD22 ASN A 25 1.315 -3.915 -17.646 1.00 0.00 H new ATOM 333 N GLU A 26 3.048 -4.018 -12.049 1.00 0.00 N ATOM 334 CA GLU A 26 2.664 -3.931 -10.645 1.00 0.00 C ATOM 335 C GLU A 26 3.890 -3.741 -9.757 1.00 0.00 C ATOM 336 O GLU A 26 4.984 -4.208 -10.079 1.00 0.00 O ATOM 337 CB GLU A 26 1.905 -5.191 -10.222 1.00 0.00 C ATOM 338 CG GLU A 26 0.553 -5.342 -10.899 1.00 0.00 C ATOM 339 CD GLU A 26 -0.247 -6.508 -10.351 1.00 0.00 C ATOM 340 OE1 GLU A 26 -0.099 -7.630 -10.880 1.00 0.00 O ATOM 341 OE2 GLU A 26 -1.020 -6.299 -9.393 1.00 0.00 O ATOM 0 H GLU A 26 3.725 -4.752 -12.257 1.00 0.00 H new ATOM 0 HA GLU A 26 2.012 -3.065 -10.526 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.515 -6.066 -10.448 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.761 -5.173 -9.142 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.018 -4.422 -10.771 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.701 -5.479 -11.970 1.00 0.00 H new ATOM 348 N LEU A 27 3.701 -3.052 -8.637 1.00 0.00 N ATOM 349 CA LEU A 27 4.790 -2.799 -7.700 1.00 0.00 C ATOM 350 C LEU A 27 4.656 -3.674 -6.459 1.00 0.00 C ATOM 351 O LEU A 27 3.550 -4.034 -6.055 1.00 0.00 O ATOM 352 CB LEU A 27 4.811 -1.323 -7.298 1.00 0.00 C ATOM 353 CG LEU A 27 5.745 -0.955 -6.145 1.00 0.00 C ATOM 354 CD1 LEU A 27 7.191 -0.938 -6.614 1.00 0.00 C ATOM 355 CD2 LEU A 27 5.358 0.394 -5.556 1.00 0.00 C ATOM 0 H LEU A 27 2.803 -2.658 -8.355 1.00 0.00 H new ATOM 0 HA LEU A 27 5.728 -3.047 -8.197 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.093 -0.733 -8.170 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.798 -1.026 -7.027 1.00 0.00 H new ATOM 0 HG LEU A 27 5.646 -1.712 -5.367 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.841 -0.674 -5.780 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.464 -1.925 -6.988 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.307 -0.203 -7.411 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.033 0.640 -4.736 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.428 1.161 -6.327 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.335 0.348 -5.182 1.00 0.00 H new ATOM 367 N THR A 28 5.791 -4.013 -5.854 1.00 0.00 N ATOM 368 CA THR A 28 5.800 -4.845 -4.657 1.00 0.00 C ATOM 369 C THR A 28 5.822 -3.992 -3.394 1.00 0.00 C ATOM 370 O THR A 28 6.577 -3.023 -3.300 1.00 0.00 O ATOM 371 CB THR A 28 7.013 -5.794 -4.643 1.00 0.00 C ATOM 372 OG1 THR A 28 7.009 -6.613 -5.818 1.00 0.00 O ATOM 373 CG2 THR A 28 6.995 -6.677 -3.404 1.00 0.00 C ATOM 0 H THR A 28 6.715 -3.724 -6.174 1.00 0.00 H new ATOM 0 HA THR A 28 4.885 -5.436 -4.676 1.00 0.00 H new ATOM 0 HB THR A 28 7.919 -5.189 -4.626 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.784 -7.212 -5.802 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.861 -7.339 -3.416 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.028 -6.052 -2.511 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.083 -7.274 -3.396 1.00 0.00 H new ATOM 381 N VAL A 29 4.991 -4.357 -2.424 1.00 0.00 N ATOM 382 CA VAL A 29 4.916 -3.626 -1.165 1.00 0.00 C ATOM 383 C VAL A 29 4.657 -4.569 0.004 1.00 0.00 C ATOM 384 O VAL A 29 4.281 -5.726 -0.188 1.00 0.00 O ATOM 385 CB VAL A 29 3.809 -2.556 -1.202 1.00 0.00 C ATOM 386 CG1 VAL A 29 4.253 -1.357 -2.027 1.00 0.00 C ATOM 387 CG2 VAL A 29 2.519 -3.143 -1.753 1.00 0.00 C ATOM 0 H VAL A 29 4.359 -5.156 -2.486 1.00 0.00 H new ATOM 0 HA VAL A 29 5.880 -3.136 -1.026 1.00 0.00 H new ATOM 0 HB VAL A 29 3.621 -2.217 -0.183 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.458 -0.611 -2.042 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.150 -0.923 -1.585 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.470 -1.677 -3.046 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.748 -2.373 -1.772 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.690 -3.511 -2.765 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.194 -3.967 -1.118 1.00 0.00 H new ATOM 397 N THR A 30 4.859 -4.068 1.219 1.00 0.00 N ATOM 398 CA THR A 30 4.648 -4.865 2.420 1.00 0.00 C ATOM 399 C THR A 30 3.682 -4.174 3.376 1.00 0.00 C ATOM 400 O THR A 30 3.449 -2.971 3.273 1.00 0.00 O ATOM 401 CB THR A 30 5.974 -5.136 3.155 1.00 0.00 C ATOM 402 OG1 THR A 30 5.799 -6.190 4.109 1.00 0.00 O ATOM 403 CG2 THR A 30 6.467 -3.882 3.861 1.00 0.00 C ATOM 0 H THR A 30 5.169 -3.113 1.397 1.00 0.00 H new ATOM 0 HA THR A 30 4.219 -5.814 2.098 1.00 0.00 H new ATOM 0 HB THR A 30 6.719 -5.435 2.417 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.647 -6.357 4.571 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.405 -4.098 4.373 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.627 -3.091 3.128 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.723 -3.557 4.588 1.00 0.00 H new ATOM 411 N GLU A 31 3.124 -4.944 4.305 1.00 0.00 N ATOM 412 CA GLU A 31 2.183 -4.404 5.279 1.00 0.00 C ATOM 413 C GLU A 31 2.886 -3.456 6.247 1.00 0.00 C ATOM 414 O GLU A 31 3.908 -3.800 6.838 1.00 0.00 O ATOM 415 CB GLU A 31 1.512 -5.539 6.056 1.00 0.00 C ATOM 416 CG GLU A 31 0.634 -5.057 7.199 1.00 0.00 C ATOM 417 CD GLU A 31 0.382 -6.136 8.235 1.00 0.00 C ATOM 418 OE1 GLU A 31 0.592 -7.325 7.917 1.00 0.00 O ATOM 419 OE2 GLU A 31 -0.025 -5.790 9.364 1.00 0.00 O ATOM 0 H GLU A 31 3.307 -5.943 4.403 1.00 0.00 H new ATOM 0 HA GLU A 31 1.421 -3.843 4.738 1.00 0.00 H new ATOM 0 HB2 GLU A 31 0.907 -6.131 5.369 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.282 -6.200 6.454 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.107 -4.200 7.679 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.320 -4.712 6.799 1.00 0.00 H new ATOM 426 N GLY A 32 2.328 -2.259 6.403 1.00 0.00 N ATOM 427 CA GLY A 32 2.914 -1.279 7.298 1.00 0.00 C ATOM 428 C GLY A 32 3.840 -0.318 6.580 1.00 0.00 C ATOM 429 O GLY A 32 4.155 0.754 7.097 1.00 0.00 O ATOM 0 H GLY A 32 1.481 -1.951 5.926 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.118 -0.716 7.786 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.468 -1.794 8.083 1.00 0.00 H new ATOM 433 N GLU A 33 4.279 -0.702 5.385 1.00 0.00 N ATOM 434 CA GLU A 33 5.176 0.134 4.596 1.00 0.00 C ATOM 435 C GLU A 33 4.421 1.302 3.969 1.00 0.00 C ATOM 436 O GLU A 33 3.345 1.124 3.398 1.00 0.00 O ATOM 437 CB GLU A 33 5.853 -0.696 3.504 1.00 0.00 C ATOM 438 CG GLU A 33 6.425 0.140 2.371 1.00 0.00 C ATOM 439 CD GLU A 33 7.474 -0.604 1.568 1.00 0.00 C ATOM 440 OE1 GLU A 33 7.099 -1.524 0.811 1.00 0.00 O ATOM 441 OE2 GLU A 33 8.670 -0.268 1.698 1.00 0.00 O ATOM 0 H GLU A 33 4.028 -1.586 4.943 1.00 0.00 H new ATOM 0 HA GLU A 33 5.939 0.535 5.263 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.655 -1.284 3.951 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.130 -1.401 3.095 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.617 0.448 1.708 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.864 1.049 2.782 1.00 0.00 H new ATOM 448 N ILE A 34 4.993 2.497 4.080 1.00 0.00 N ATOM 449 CA ILE A 34 4.375 3.694 3.523 1.00 0.00 C ATOM 450 C ILE A 34 5.072 4.125 2.238 1.00 0.00 C ATOM 451 O ILE A 34 6.297 4.232 2.190 1.00 0.00 O ATOM 452 CB ILE A 34 4.405 4.861 4.527 1.00 0.00 C ATOM 453 CG1 ILE A 34 3.767 4.440 5.853 1.00 0.00 C ATOM 454 CG2 ILE A 34 3.688 6.074 3.951 1.00 0.00 C ATOM 455 CD1 ILE A 34 2.430 3.752 5.688 1.00 0.00 C ATOM 0 H ILE A 34 5.883 2.662 4.550 1.00 0.00 H new ATOM 0 HA ILE A 34 3.338 3.441 3.303 1.00 0.00 H new ATOM 0 HB ILE A 34 5.444 5.131 4.715 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.448 3.771 6.379 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.638 5.322 6.481 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.718 6.891 4.672 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.181 6.385 3.030 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.651 5.816 3.737 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.037 3.482 6.668 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.733 4.426 5.190 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.556 2.852 5.087 1.00 0.00 H new ATOM 467 N ILE A 35 4.282 4.374 1.198 1.00 0.00 N ATOM 468 CA ILE A 35 4.823 4.797 -0.087 1.00 0.00 C ATOM 469 C ILE A 35 4.190 6.106 -0.546 1.00 0.00 C ATOM 470 O ILE A 35 3.307 6.649 0.119 1.00 0.00 O ATOM 471 CB ILE A 35 4.603 3.725 -1.171 1.00 0.00 C ATOM 472 CG1 ILE A 35 3.113 3.411 -1.313 1.00 0.00 C ATOM 473 CG2 ILE A 35 5.386 2.465 -0.836 1.00 0.00 C ATOM 474 CD1 ILE A 35 2.749 2.796 -2.647 1.00 0.00 C ATOM 0 H ILE A 35 3.266 4.290 1.221 1.00 0.00 H new ATOM 0 HA ILE A 35 5.894 4.944 0.055 1.00 0.00 H new ATOM 0 HB ILE A 35 4.966 4.112 -2.123 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.816 2.730 -0.515 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.542 4.330 -1.178 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.220 1.717 -1.611 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.449 2.701 -0.781 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.051 2.073 0.124 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.677 2.600 -2.677 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.015 3.484 -3.449 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.293 1.860 -2.777 1.00 0.00 H new ATOM 486 N THR A 36 4.645 6.608 -1.690 1.00 0.00 N ATOM 487 CA THR A 36 4.123 7.853 -2.240 1.00 0.00 C ATOM 488 C THR A 36 3.137 7.584 -3.371 1.00 0.00 C ATOM 489 O THR A 36 3.438 6.843 -4.307 1.00 0.00 O ATOM 490 CB THR A 36 5.256 8.754 -2.765 1.00 0.00 C ATOM 491 OG1 THR A 36 6.233 8.962 -1.739 1.00 0.00 O ATOM 492 CG2 THR A 36 4.709 10.095 -3.231 1.00 0.00 C ATOM 0 H THR A 36 5.374 6.171 -2.254 1.00 0.00 H new ATOM 0 HA THR A 36 3.608 8.366 -1.428 1.00 0.00 H new ATOM 0 HB THR A 36 5.723 8.255 -3.614 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.951 9.535 -2.082 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.528 10.714 -3.597 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.988 9.935 -4.033 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.219 10.598 -2.397 1.00 0.00 H new ATOM 500 N VAL A 37 1.958 8.191 -3.279 1.00 0.00 N ATOM 501 CA VAL A 37 0.928 8.018 -4.296 1.00 0.00 C ATOM 502 C VAL A 37 1.076 9.049 -5.409 1.00 0.00 C ATOM 503 O VAL A 37 1.050 10.255 -5.162 1.00 0.00 O ATOM 504 CB VAL A 37 -0.484 8.131 -3.691 1.00 0.00 C ATOM 505 CG1 VAL A 37 -1.543 7.960 -4.769 1.00 0.00 C ATOM 506 CG2 VAL A 37 -0.671 7.109 -2.580 1.00 0.00 C ATOM 0 H VAL A 37 1.693 8.807 -2.510 1.00 0.00 H new ATOM 0 HA VAL A 37 1.058 7.018 -4.711 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.597 9.126 -3.260 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.534 8.043 -4.322 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.420 8.735 -5.526 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.435 6.979 -5.233 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.674 7.203 -2.164 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.538 6.105 -2.983 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.065 7.285 -1.796 1.00 0.00 H new ATOM 516 N THR A 38 1.232 8.567 -6.639 1.00 0.00 N ATOM 517 CA THR A 38 1.385 9.446 -7.791 1.00 0.00 C ATOM 518 C THR A 38 0.109 9.487 -8.625 1.00 0.00 C ATOM 519 O THR A 38 -0.313 10.549 -9.078 1.00 0.00 O ATOM 520 CB THR A 38 2.556 9.000 -8.686 1.00 0.00 C ATOM 521 OG1 THR A 38 2.377 7.636 -9.083 1.00 0.00 O ATOM 522 CG2 THR A 38 3.883 9.151 -7.957 1.00 0.00 C ATOM 0 H THR A 38 1.256 7.572 -6.862 1.00 0.00 H new ATOM 0 HA THR A 38 1.594 10.443 -7.402 1.00 0.00 H new ATOM 0 HB THR A 38 2.571 9.637 -9.571 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.125 7.360 -9.653 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.695 8.830 -8.609 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.030 10.195 -7.682 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.876 8.536 -7.057 1.00 0.00 H new ATOM 530 N ASN A 39 -0.500 8.322 -8.823 1.00 0.00 N ATOM 531 CA ASN A 39 -1.728 8.225 -9.603 1.00 0.00 C ATOM 532 C ASN A 39 -2.808 7.478 -8.827 1.00 0.00 C ATOM 533 O ASN A 39 -3.036 6.284 -9.023 1.00 0.00 O ATOM 534 CB ASN A 39 -1.458 7.518 -10.933 1.00 0.00 C ATOM 535 CG ASN A 39 -2.556 7.760 -11.950 1.00 0.00 C ATOM 536 OD1 ASN A 39 -3.284 8.750 -11.870 1.00 0.00 O ATOM 537 ND2 ASN A 39 -2.680 6.855 -12.914 1.00 0.00 N ATOM 0 H ASN A 39 -0.163 7.433 -8.454 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.083 9.236 -9.802 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -0.508 7.865 -11.339 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -1.358 6.447 -10.758 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -3.401 6.965 -13.627 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.054 6.050 -12.941 1.00 0.00 H new ATOM 544 N PRO A 40 -3.491 8.197 -7.923 1.00 0.00 N ATOM 545 CA PRO A 40 -4.559 7.623 -7.099 1.00 0.00 C ATOM 546 C PRO A 40 -5.803 7.285 -7.915 1.00 0.00 C ATOM 547 O PRO A 40 -6.674 6.547 -7.459 1.00 0.00 O ATOM 548 CB PRO A 40 -4.866 8.734 -6.092 1.00 0.00 C ATOM 549 CG PRO A 40 -4.451 9.991 -6.776 1.00 0.00 C ATOM 550 CD PRO A 40 -3.273 9.625 -7.636 1.00 0.00 C ATOM 0 HA PRO A 40 -4.257 6.682 -6.638 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.925 8.754 -5.835 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.316 8.589 -5.162 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.264 10.394 -7.379 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.181 10.759 -6.051 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.243 10.218 -8.550 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.329 9.791 -7.117 1.00 0.00 H new ATOM 558 N ASN A 41 -5.877 7.831 -9.125 1.00 0.00 N ATOM 559 CA ASN A 41 -7.014 7.587 -10.005 1.00 0.00 C ATOM 560 C ASN A 41 -6.551 7.054 -11.357 1.00 0.00 C ATOM 561 O ASN A 41 -6.668 7.733 -12.377 1.00 0.00 O ATOM 562 CB ASN A 41 -7.820 8.873 -10.200 1.00 0.00 C ATOM 563 CG ASN A 41 -8.774 9.138 -9.051 1.00 0.00 C ATOM 564 OD1 ASN A 41 -8.364 9.589 -7.981 1.00 0.00 O ATOM 565 ND2 ASN A 41 -10.053 8.858 -9.268 1.00 0.00 N ATOM 0 H ASN A 41 -5.163 8.445 -9.518 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.649 6.835 -9.536 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.136 9.715 -10.302 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.385 8.807 -11.130 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.741 9.015 -8.532 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.348 8.486 -10.171 1.00 0.00 H new ATOM 572 N VAL A 42 -6.026 5.833 -11.357 1.00 0.00 N ATOM 573 CA VAL A 42 -5.547 5.207 -12.584 1.00 0.00 C ATOM 574 C VAL A 42 -6.648 5.145 -13.636 1.00 0.00 C ATOM 575 O VAL A 42 -6.558 5.786 -14.683 1.00 0.00 O ATOM 576 CB VAL A 42 -5.024 3.782 -12.320 1.00 0.00 C ATOM 577 CG1 VAL A 42 -4.476 3.169 -13.599 1.00 0.00 C ATOM 578 CG2 VAL A 42 -3.963 3.798 -11.230 1.00 0.00 C ATOM 0 H VAL A 42 -5.922 5.258 -10.521 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.729 5.824 -12.955 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.855 3.166 -11.977 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.111 2.163 -13.393 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.267 3.122 -14.348 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.657 3.782 -13.974 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.605 2.783 -11.056 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.130 4.429 -11.542 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.393 4.194 -10.310 1.00 0.00 H new ATOM 588 N GLY A 43 -7.690 4.370 -13.350 1.00 0.00 N ATOM 589 CA GLY A 43 -8.795 4.239 -14.281 1.00 0.00 C ATOM 590 C GLY A 43 -9.515 2.912 -14.144 1.00 0.00 C ATOM 591 O GLY A 43 -9.947 2.326 -15.136 1.00 0.00 O ATOM 0 H GLY A 43 -7.788 3.831 -12.490 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.503 5.051 -14.116 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.422 4.343 -15.300 1.00 0.00 H new ATOM 595 N GLY A 44 -9.644 2.435 -12.910 1.00 0.00 N ATOM 596 CA GLY A 44 -10.315 1.171 -12.669 1.00 0.00 C ATOM 597 C GLY A 44 -10.258 0.752 -11.213 1.00 0.00 C ATOM 598 O GLY A 44 -10.260 -0.438 -10.902 1.00 0.00 O ATOM 0 H GLY A 44 -9.296 2.902 -12.072 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.357 1.251 -12.980 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.857 0.397 -13.285 1.00 0.00 H new ATOM 602 N GLY A 45 -10.205 1.734 -10.318 1.00 0.00 N ATOM 603 CA GLY A 45 -10.146 1.440 -8.898 1.00 0.00 C ATOM 604 C GLY A 45 -8.744 1.096 -8.435 1.00 0.00 C ATOM 605 O GLY A 45 -8.561 0.523 -7.361 1.00 0.00 O ATOM 0 H GLY A 45 -10.202 2.727 -10.551 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.510 2.300 -8.337 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.814 0.608 -8.674 1.00 0.00 H new ATOM 609 N TRP A 46 -7.753 1.445 -9.247 1.00 0.00 N ATOM 610 CA TRP A 46 -6.360 1.168 -8.915 1.00 0.00 C ATOM 611 C TRP A 46 -5.578 2.462 -8.720 1.00 0.00 C ATOM 612 O TRP A 46 -6.040 3.540 -9.096 1.00 0.00 O ATOM 613 CB TRP A 46 -5.710 0.326 -10.014 1.00 0.00 C ATOM 614 CG TRP A 46 -6.029 -1.135 -9.911 1.00 0.00 C ATOM 615 CD1 TRP A 46 -7.254 -1.719 -10.066 1.00 0.00 C ATOM 616 CD2 TRP A 46 -5.110 -2.195 -9.629 1.00 0.00 C ATOM 617 NE1 TRP A 46 -7.151 -3.079 -9.897 1.00 0.00 N ATOM 618 CE2 TRP A 46 -5.846 -3.396 -9.628 1.00 0.00 C ATOM 619 CE3 TRP A 46 -3.736 -2.248 -9.378 1.00 0.00 C ATOM 620 CZ2 TRP A 46 -5.253 -4.632 -9.386 1.00 0.00 C ATOM 621 CZ3 TRP A 46 -3.149 -3.475 -9.137 1.00 0.00 C ATOM 622 CH2 TRP A 46 -3.907 -4.654 -9.143 1.00 0.00 C ATOM 0 H TRP A 46 -7.888 1.920 -10.140 1.00 0.00 H new ATOM 0 HA TRP A 46 -6.340 0.610 -7.979 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -6.038 0.694 -10.986 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -4.629 0.458 -9.971 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -8.169 -1.190 -10.289 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -7.921 -3.744 -9.961 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -3.143 -1.345 -9.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -5.835 -5.542 -9.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -2.088 -3.527 -8.941 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -3.419 -5.598 -8.952 1.00 0.00 H new ATOM 633 N LEU A 47 -4.394 2.350 -8.130 1.00 0.00 N ATOM 634 CA LEU A 47 -3.547 3.513 -7.885 1.00 0.00 C ATOM 635 C LEU A 47 -2.081 3.183 -8.145 1.00 0.00 C ATOM 636 O LEU A 47 -1.631 2.067 -7.888 1.00 0.00 O ATOM 637 CB LEU A 47 -3.724 4.003 -6.447 1.00 0.00 C ATOM 638 CG LEU A 47 -3.108 3.125 -5.357 1.00 0.00 C ATOM 639 CD1 LEU A 47 -1.653 3.502 -5.127 1.00 0.00 C ATOM 640 CD2 LEU A 47 -3.902 3.243 -4.065 1.00 0.00 C ATOM 0 H LEU A 47 -3.998 1.466 -7.812 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.850 4.304 -8.572 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.292 5.001 -6.369 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.791 4.101 -6.247 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.145 2.087 -5.689 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.231 2.867 -4.348 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.091 3.365 -6.051 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.592 4.545 -4.817 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.449 2.611 -3.301 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.897 4.280 -3.729 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.929 2.922 -4.239 1.00 0.00 H new ATOM 652 N GLU A 48 -1.341 4.164 -8.654 1.00 0.00 N ATOM 653 CA GLU A 48 0.076 3.977 -8.947 1.00 0.00 C ATOM 654 C GLU A 48 0.943 4.643 -7.883 1.00 0.00 C ATOM 655 O GLU A 48 0.632 5.733 -7.405 1.00 0.00 O ATOM 656 CB GLU A 48 0.413 4.548 -10.326 1.00 0.00 C ATOM 657 CG GLU A 48 1.581 3.851 -11.003 1.00 0.00 C ATOM 658 CD GLU A 48 1.532 3.965 -12.515 1.00 0.00 C ATOM 659 OE1 GLU A 48 1.112 5.028 -13.017 1.00 0.00 O ATOM 660 OE2 GLU A 48 1.913 2.990 -13.195 1.00 0.00 O ATOM 0 H GLU A 48 -1.698 5.094 -8.872 1.00 0.00 H new ATOM 0 HA GLU A 48 0.284 2.907 -8.944 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.466 4.472 -10.966 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.643 5.609 -10.225 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.515 4.280 -10.640 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.583 2.798 -10.722 1.00 0.00 H new ATOM 667 N GLY A 49 2.035 3.977 -7.516 1.00 0.00 N ATOM 668 CA GLY A 49 2.931 4.518 -6.511 1.00 0.00 C ATOM 669 C GLY A 49 4.381 4.170 -6.779 1.00 0.00 C ATOM 670 O GLY A 49 4.676 3.210 -7.492 1.00 0.00 O ATOM 0 H GLY A 49 2.314 3.073 -7.897 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.821 5.602 -6.477 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.645 4.137 -5.531 1.00 0.00 H new ATOM 674 N LYS A 50 5.291 4.952 -6.208 1.00 0.00 N ATOM 675 CA LYS A 50 6.720 4.723 -6.389 1.00 0.00 C ATOM 676 C LYS A 50 7.371 4.289 -5.080 1.00 0.00 C ATOM 677 O LYS A 50 6.974 4.729 -4.003 1.00 0.00 O ATOM 678 CB LYS A 50 7.398 5.990 -6.914 1.00 0.00 C ATOM 679 CG LYS A 50 8.879 6.067 -6.586 1.00 0.00 C ATOM 680 CD LYS A 50 9.512 7.326 -7.156 1.00 0.00 C ATOM 681 CE LYS A 50 9.700 7.222 -8.662 1.00 0.00 C ATOM 682 NZ LYS A 50 9.852 8.560 -9.295 1.00 0.00 N ATOM 0 H LYS A 50 5.064 5.751 -5.615 1.00 0.00 H new ATOM 0 HA LYS A 50 6.845 3.923 -7.119 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.271 6.039 -7.995 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.896 6.862 -6.494 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.015 6.048 -5.505 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.387 5.190 -6.986 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.884 8.187 -6.925 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.477 7.498 -6.679 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.580 6.616 -8.877 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.845 6.708 -9.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.978 8.446 -10.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.001 9.130 -9.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.683 9.041 -8.895 1.00 0.00 H new ATOM 696 N ASN A 51 8.375 3.424 -5.182 1.00 0.00 N ATOM 697 CA ASN A 51 9.083 2.932 -4.006 1.00 0.00 C ATOM 698 C ASN A 51 10.453 3.591 -3.879 1.00 0.00 C ATOM 699 O ASN A 51 10.902 4.291 -4.786 1.00 0.00 O ATOM 700 CB ASN A 51 9.240 1.412 -4.078 1.00 0.00 C ATOM 701 CG ASN A 51 10.465 0.994 -4.868 1.00 0.00 C ATOM 702 OD1 ASN A 51 11.531 0.753 -4.301 1.00 0.00 O ATOM 703 ND2 ASN A 51 10.319 0.908 -6.185 1.00 0.00 N ATOM 0 H ASN A 51 8.717 3.049 -6.067 1.00 0.00 H new ATOM 0 HA ASN A 51 8.494 3.188 -3.125 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.307 1.008 -3.068 1.00 0.00 H new ATOM 0 HB3 ASN A 51 8.351 0.979 -4.536 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.109 0.633 -6.769 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.417 1.117 -6.613 1.00 0.00 H new ATOM 710 N ASN A 52 11.112 3.360 -2.748 1.00 0.00 N ATOM 711 CA ASN A 52 12.432 3.931 -2.503 1.00 0.00 C ATOM 712 C ASN A 52 13.320 3.798 -3.736 1.00 0.00 C ATOM 713 O ASN A 52 13.918 4.773 -4.193 1.00 0.00 O ATOM 714 CB ASN A 52 13.094 3.244 -1.307 1.00 0.00 C ATOM 715 CG ASN A 52 14.422 3.875 -0.940 1.00 0.00 C ATOM 716 OD1 ASN A 52 15.439 3.633 -1.591 1.00 0.00 O ATOM 717 ND2 ASN A 52 14.420 4.690 0.109 1.00 0.00 N ATOM 0 H ASN A 52 10.754 2.782 -1.987 1.00 0.00 H new ATOM 0 HA ASN A 52 12.306 4.991 -2.281 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.424 3.290 -0.449 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.247 2.189 -1.536 1.00 0.00 H new ATOM 0 HD21 ASN A 52 15.285 5.144 0.404 1.00 0.00 H new ATOM 0 HD22 ASN A 52 13.554 4.862 0.620 1.00 0.00 H new ATOM 724 N LYS A 53 13.401 2.585 -4.272 1.00 0.00 N ATOM 725 CA LYS A 53 14.214 2.323 -5.454 1.00 0.00 C ATOM 726 C LYS A 53 13.911 3.331 -6.557 1.00 0.00 C ATOM 727 O LYS A 53 14.804 3.745 -7.295 1.00 0.00 O ATOM 728 CB LYS A 53 13.965 0.902 -5.964 1.00 0.00 C ATOM 729 CG LYS A 53 14.353 -0.179 -4.970 1.00 0.00 C ATOM 730 CD LYS A 53 15.860 -0.369 -4.914 1.00 0.00 C ATOM 731 CE LYS A 53 16.237 -1.585 -4.081 1.00 0.00 C ATOM 732 NZ LYS A 53 17.527 -2.183 -4.525 1.00 0.00 N ATOM 0 H LYS A 53 12.913 1.767 -3.906 1.00 0.00 H new ATOM 0 HA LYS A 53 15.262 2.423 -5.173 1.00 0.00 H new ATOM 0 HB2 LYS A 53 12.909 0.794 -6.211 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.526 0.753 -6.887 1.00 0.00 H new ATOM 0 HG2 LYS A 53 13.981 0.085 -3.980 1.00 0.00 H new ATOM 0 HG3 LYS A 53 13.877 -1.119 -5.249 1.00 0.00 H new ATOM 0 HD2 LYS A 53 16.251 -0.483 -5.925 1.00 0.00 H new ATOM 0 HD3 LYS A 53 16.325 0.522 -4.491 1.00 0.00 H new ATOM 0 HE2 LYS A 53 16.312 -1.298 -3.032 1.00 0.00 H new ATOM 0 HE3 LYS A 53 15.447 -2.333 -4.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 17.749 -3.009 -3.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 17.448 -2.480 -5.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 18.286 -1.478 -4.434 1.00 0.00 H new ATOM 746 N GLY A 54 12.645 3.723 -6.663 1.00 0.00 N ATOM 747 CA GLY A 54 12.248 4.681 -7.679 1.00 0.00 C ATOM 748 C GLY A 54 11.412 4.051 -8.775 1.00 0.00 C ATOM 749 O GLY A 54 11.193 4.657 -9.823 1.00 0.00 O ATOM 0 H GLY A 54 11.888 3.395 -6.064 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.682 5.487 -7.212 1.00 0.00 H new ATOM 0 HA3 GLY A 54 13.139 5.130 -8.118 1.00 0.00 H new ATOM 753 N GLU A 55 10.945 2.830 -8.534 1.00 0.00 N ATOM 754 CA GLU A 55 10.132 2.116 -9.511 1.00 0.00 C ATOM 755 C GLU A 55 8.648 2.400 -9.294 1.00 0.00 C ATOM 756 O GLU A 55 8.194 2.549 -8.160 1.00 0.00 O ATOM 757 CB GLU A 55 10.392 0.611 -9.424 1.00 0.00 C ATOM 758 CG GLU A 55 11.840 0.229 -9.681 1.00 0.00 C ATOM 759 CD GLU A 55 12.023 -1.264 -9.877 1.00 0.00 C ATOM 760 OE1 GLU A 55 11.632 -1.774 -10.947 1.00 0.00 O ATOM 761 OE2 GLU A 55 12.557 -1.922 -8.959 1.00 0.00 O ATOM 0 H GLU A 55 11.116 2.315 -7.670 1.00 0.00 H new ATOM 0 HA GLU A 55 10.411 2.468 -10.504 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.101 0.257 -8.435 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.756 0.098 -10.146 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.199 0.755 -10.566 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.453 0.560 -8.843 1.00 0.00 H new ATOM 768 N GLN A 56 7.899 2.473 -10.390 1.00 0.00 N ATOM 769 CA GLN A 56 6.467 2.740 -10.319 1.00 0.00 C ATOM 770 C GLN A 56 5.665 1.540 -10.811 1.00 0.00 C ATOM 771 O GLN A 56 6.085 0.833 -11.726 1.00 0.00 O ATOM 772 CB GLN A 56 6.116 3.977 -11.148 1.00 0.00 C ATOM 773 CG GLN A 56 6.247 5.282 -10.378 1.00 0.00 C ATOM 774 CD GLN A 56 6.106 6.501 -11.268 1.00 0.00 C ATOM 775 OE1 GLN A 56 7.112 7.367 -11.250 1.00 0.00 O flip ATOM 776 NE2 GLN A 56 5.103 6.663 -11.965 1.00 0.00 N flip ATOM 0 H GLN A 56 8.259 2.351 -11.336 1.00 0.00 H new ATOM 0 HA GLN A 56 6.208 2.924 -9.276 1.00 0.00 H new ATOM 0 HB2 GLN A 56 6.765 4.014 -12.023 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.094 3.881 -11.513 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.487 5.317 -9.597 1.00 0.00 H new ATOM 0 HG3 GLN A 56 7.216 5.310 -9.880 1.00 0.00 H new ATOM 0 HE21 GLN A 56 4.353 5.972 -11.948 1.00 0.00 H new ATOM 0 HE22 GLN A 56 5.023 7.488 -12.559 1.00 0.00 H new ATOM 785 N GLY A 57 4.507 1.316 -10.196 1.00 0.00 N ATOM 786 CA GLY A 57 3.665 0.200 -10.585 1.00 0.00 C ATOM 787 C GLY A 57 2.233 0.364 -10.116 1.00 0.00 C ATOM 788 O GLY A 57 1.945 1.194 -9.253 1.00 0.00 O ATOM 0 H GLY A 57 4.138 1.887 -9.436 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.679 0.099 -11.670 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.076 -0.722 -10.173 1.00 0.00 H new ATOM 792 N LEU A 58 1.331 -0.428 -10.686 1.00 0.00 N ATOM 793 CA LEU A 58 -0.080 -0.366 -10.323 1.00 0.00 C ATOM 794 C LEU A 58 -0.360 -1.204 -9.080 1.00 0.00 C ATOM 795 O LEU A 58 0.032 -2.368 -9.002 1.00 0.00 O ATOM 796 CB LEU A 58 -0.948 -0.851 -11.485 1.00 0.00 C ATOM 797 CG LEU A 58 -0.781 -0.101 -12.807 1.00 0.00 C ATOM 798 CD1 LEU A 58 -1.502 -0.831 -13.930 1.00 0.00 C ATOM 799 CD2 LEU A 58 -1.294 1.326 -12.679 1.00 0.00 C ATOM 0 H LEU A 58 1.552 -1.121 -11.401 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.327 0.672 -10.102 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.731 -1.905 -11.659 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.993 -0.786 -11.183 1.00 0.00 H new ATOM 0 HG LEU A 58 0.281 -0.063 -13.050 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.372 -0.282 -14.863 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.087 -1.833 -14.038 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.564 -0.901 -13.695 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.167 1.845 -13.629 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.351 1.310 -12.412 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.732 1.847 -11.904 1.00 0.00 H new ATOM 811 N VAL A 59 -1.043 -0.604 -8.109 1.00 0.00 N ATOM 812 CA VAL A 59 -1.378 -1.296 -6.871 1.00 0.00 C ATOM 813 C VAL A 59 -2.864 -1.166 -6.554 1.00 0.00 C ATOM 814 O VAL A 59 -3.469 -0.107 -6.719 1.00 0.00 O ATOM 815 CB VAL A 59 -0.562 -0.751 -5.684 1.00 0.00 C ATOM 816 CG1 VAL A 59 -0.987 -1.424 -4.388 1.00 0.00 C ATOM 817 CG2 VAL A 59 0.927 -0.942 -5.930 1.00 0.00 C ATOM 0 H VAL A 59 -1.375 0.359 -8.157 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.131 -2.347 -7.019 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.758 0.317 -5.591 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.399 -1.025 -3.561 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.044 -1.231 -4.207 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.823 -2.499 -4.465 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.489 -0.551 -5.082 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.143 -2.004 -6.050 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.218 -0.408 -6.835 1.00 0.00 H new ATOM 827 N PRO A 60 -3.468 -2.269 -6.086 1.00 0.00 N ATOM 828 CA PRO A 60 -4.890 -2.304 -5.735 1.00 0.00 C ATOM 829 C PRO A 60 -5.199 -1.486 -4.485 1.00 0.00 C ATOM 830 O PRO A 60 -4.530 -1.622 -3.460 1.00 0.00 O ATOM 831 CB PRO A 60 -5.157 -3.789 -5.481 1.00 0.00 C ATOM 832 CG PRO A 60 -3.833 -4.351 -5.092 1.00 0.00 C ATOM 833 CD PRO A 60 -2.808 -3.567 -5.864 1.00 0.00 C ATOM 0 HA PRO A 60 -5.513 -1.873 -6.518 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.894 -3.929 -4.690 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.549 -4.279 -6.372 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.669 -4.257 -4.019 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -3.774 -5.413 -5.332 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -1.881 -3.455 -5.302 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.554 -4.055 -6.805 1.00 0.00 H new ATOM 841 N THR A 61 -6.217 -0.636 -4.576 1.00 0.00 N ATOM 842 CA THR A 61 -6.613 0.204 -3.453 1.00 0.00 C ATOM 843 C THR A 61 -7.243 -0.626 -2.340 1.00 0.00 C ATOM 844 O THR A 61 -7.421 -0.148 -1.220 1.00 0.00 O ATOM 845 CB THR A 61 -7.610 1.294 -3.891 1.00 0.00 C ATOM 846 OG1 THR A 61 -8.844 0.693 -4.301 1.00 0.00 O ATOM 847 CG2 THR A 61 -7.039 2.122 -5.032 1.00 0.00 C ATOM 0 H THR A 61 -6.782 -0.511 -5.416 1.00 0.00 H new ATOM 0 HA THR A 61 -5.706 0.679 -3.079 1.00 0.00 H new ATOM 0 HB THR A 61 -7.792 1.952 -3.041 1.00 0.00 H new ATOM 0 HG1 THR A 61 -8.852 0.596 -5.276 1.00 0.00 H new ATOM 0 HG21 THR A 61 -7.760 2.885 -5.324 1.00 0.00 H new ATOM 0 HG22 THR A 61 -6.115 2.601 -4.707 1.00 0.00 H new ATOM 0 HG23 THR A 61 -6.831 1.474 -5.883 1.00 0.00 H new ATOM 855 N ASP A 62 -7.577 -1.873 -2.656 1.00 0.00 N ATOM 856 CA ASP A 62 -8.185 -2.771 -1.681 1.00 0.00 C ATOM 857 C ASP A 62 -7.148 -3.267 -0.678 1.00 0.00 C ATOM 858 O ASP A 62 -7.478 -3.583 0.465 1.00 0.00 O ATOM 859 CB ASP A 62 -8.837 -3.960 -2.389 1.00 0.00 C ATOM 860 CG ASP A 62 -9.781 -4.726 -1.483 1.00 0.00 C ATOM 861 OD1 ASP A 62 -10.678 -4.093 -0.888 1.00 0.00 O ATOM 862 OD2 ASP A 62 -9.624 -5.960 -1.371 1.00 0.00 O ATOM 0 H ASP A 62 -7.437 -2.284 -3.579 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.951 -2.215 -1.140 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.384 -3.604 -3.262 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.061 -4.633 -2.753 1.00 0.00 H new ATOM 867 N TYR A 63 -5.896 -3.334 -1.115 1.00 0.00 N ATOM 868 CA TYR A 63 -4.811 -3.795 -0.256 1.00 0.00 C ATOM 869 C TYR A 63 -4.231 -2.641 0.556 1.00 0.00 C ATOM 870 O TYR A 63 -3.866 -2.808 1.720 1.00 0.00 O ATOM 871 CB TYR A 63 -3.710 -4.447 -1.095 1.00 0.00 C ATOM 872 CG TYR A 63 -4.004 -5.881 -1.470 1.00 0.00 C ATOM 873 CD1 TYR A 63 -5.201 -6.228 -2.085 1.00 0.00 C ATOM 874 CD2 TYR A 63 -3.085 -6.891 -1.210 1.00 0.00 C ATOM 875 CE1 TYR A 63 -5.475 -7.538 -2.429 1.00 0.00 C ATOM 876 CE2 TYR A 63 -3.350 -8.203 -1.552 1.00 0.00 C ATOM 877 CZ TYR A 63 -4.546 -8.521 -2.161 1.00 0.00 C ATOM 878 OH TYR A 63 -4.813 -9.827 -2.502 1.00 0.00 O ATOM 0 H TYR A 63 -5.607 -3.075 -2.058 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.218 -4.533 0.435 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.565 -3.865 -2.005 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.772 -4.410 -0.540 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -5.930 -5.460 -2.298 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.148 -6.646 -0.732 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -6.411 -7.790 -2.905 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -2.625 -8.976 -1.344 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.055 -10.393 -2.246 1.00 0.00 H new ATOM 888 N VAL A 64 -4.150 -1.470 -0.066 1.00 0.00 N ATOM 889 CA VAL A 64 -3.617 -0.286 0.598 1.00 0.00 C ATOM 890 C VAL A 64 -4.692 0.782 0.764 1.00 0.00 C ATOM 891 O VAL A 64 -5.562 0.938 -0.092 1.00 0.00 O ATOM 892 CB VAL A 64 -2.432 0.311 -0.185 1.00 0.00 C ATOM 893 CG1 VAL A 64 -1.442 -0.779 -0.568 1.00 0.00 C ATOM 894 CG2 VAL A 64 -2.927 1.050 -1.419 1.00 0.00 C ATOM 0 H VAL A 64 -4.447 -1.315 -1.030 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.270 -0.604 1.581 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.918 1.026 0.457 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.612 -0.339 -1.120 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.063 -1.260 0.334 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.941 -1.520 -1.192 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.077 1.465 -1.960 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.466 0.358 -2.066 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.594 1.857 -1.116 1.00 0.00 H new ATOM 904 N GLU A 65 -4.623 1.516 1.870 1.00 0.00 N ATOM 905 CA GLU A 65 -5.592 2.570 2.148 1.00 0.00 C ATOM 906 C GLU A 65 -4.900 3.924 2.275 1.00 0.00 C ATOM 907 O GLU A 65 -4.028 4.110 3.124 1.00 0.00 O ATOM 908 CB GLU A 65 -6.365 2.257 3.430 1.00 0.00 C ATOM 909 CG GLU A 65 -7.196 3.423 3.939 1.00 0.00 C ATOM 910 CD GLU A 65 -8.384 2.975 4.768 1.00 0.00 C ATOM 911 OE1 GLU A 65 -8.878 1.851 4.537 1.00 0.00 O ATOM 912 OE2 GLU A 65 -8.821 3.747 5.647 1.00 0.00 O ATOM 0 H GLU A 65 -3.907 1.401 2.587 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.291 2.616 1.313 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.021 1.405 3.250 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.660 1.958 4.206 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.565 4.079 4.539 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.550 4.010 3.091 1.00 0.00 H new ATOM 919 N ILE A 66 -5.296 4.866 1.426 1.00 0.00 N ATOM 920 CA ILE A 66 -4.715 6.203 1.443 1.00 0.00 C ATOM 921 C ILE A 66 -5.046 6.929 2.743 1.00 0.00 C ATOM 922 O ILE A 66 -6.183 6.895 3.214 1.00 0.00 O ATOM 923 CB ILE A 66 -5.212 7.048 0.256 1.00 0.00 C ATOM 924 CG1 ILE A 66 -4.773 6.416 -1.067 1.00 0.00 C ATOM 925 CG2 ILE A 66 -4.692 8.474 0.366 1.00 0.00 C ATOM 926 CD1 ILE A 66 -5.451 7.018 -2.278 1.00 0.00 C ATOM 0 H ILE A 66 -6.017 4.728 0.718 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.635 6.079 1.363 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.301 7.076 0.280 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.694 6.526 -1.173 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.983 5.347 -1.037 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.052 9.059 -0.480 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.049 8.921 1.294 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.602 8.465 0.363 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.092 6.522 -3.180 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.530 6.884 -2.195 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.220 8.082 -2.333 1.00 0.00 H new ATOM 938 N LEU A 67 -4.045 7.587 3.317 1.00 0.00 N ATOM 939 CA LEU A 67 -4.230 8.325 4.563 1.00 0.00 C ATOM 940 C LEU A 67 -4.575 9.784 4.285 1.00 0.00 C ATOM 941 O LEU A 67 -4.096 10.390 3.326 1.00 0.00 O ATOM 942 CB LEU A 67 -2.965 8.242 5.419 1.00 0.00 C ATOM 943 CG LEU A 67 -2.319 6.860 5.530 1.00 0.00 C ATOM 944 CD1 LEU A 67 -0.897 6.977 6.058 1.00 0.00 C ATOM 945 CD2 LEU A 67 -3.150 5.954 6.427 1.00 0.00 C ATOM 0 H LEU A 67 -3.098 7.625 2.941 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.060 7.872 5.106 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.228 8.934 5.011 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.207 8.590 6.423 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.280 6.416 4.535 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.453 5.984 6.130 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.306 7.590 5.378 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.912 7.441 7.044 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.676 4.975 6.495 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.220 6.393 7.422 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.150 5.845 6.007 1.00 0.00 H new ATOM 957 N PRO A 68 -5.425 10.365 5.145 1.00 0.00 N ATOM 958 CA PRO A 68 -5.851 11.762 5.015 1.00 0.00 C ATOM 959 C PRO A 68 -4.723 12.742 5.316 1.00 0.00 C ATOM 960 O PRO A 68 -4.893 13.955 5.194 1.00 0.00 O ATOM 961 CB PRO A 68 -6.964 11.891 6.058 1.00 0.00 C ATOM 962 CG PRO A 68 -6.659 10.841 7.070 1.00 0.00 C ATOM 963 CD PRO A 68 -6.035 9.703 6.311 1.00 0.00 C ATOM 0 HA PRO A 68 -6.169 11.999 4.000 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.972 12.884 6.508 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.946 11.736 5.610 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -5.979 11.220 7.833 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.565 10.518 7.582 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.291 9.180 6.911 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.778 8.965 6.011 1.00 0.00 H new