USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 530 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 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN :FLIP amide:sc= -1.52 F(o=-2.7,f=-1.5) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 140:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= -0.043 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS :FLIP no HD1:sc= -0.57 F(o=-1.4,f=-0.57) USER MOD Single : A 69 GLN :FLIP amide:sc= -0.558 F(o=-1.4,f=-0.56) USER MOD Single : A 75 MET CE :methyl 136:sc= -2.98! (180deg=-7.8!) USER MOD Single : A 88 GLN : amide:sc= -0.0177 K(o=-0.018,f=-0.82) USER MOD ----------------------------------------------------------------- ATOM 144 N ILE A 14 4.953 11.999 -4.690 1.00 0.00 N ATOM 145 CA ILE A 14 3.580 11.524 -4.577 1.00 0.00 C ATOM 146 C ILE A 14 3.477 10.371 -3.584 1.00 0.00 C ATOM 147 O ILE A 14 3.932 9.259 -3.856 1.00 0.00 O ATOM 148 CB ILE A 14 3.030 11.063 -5.940 1.00 0.00 C ATOM 149 CG1 ILE A 14 2.718 12.272 -6.824 1.00 0.00 C ATOM 150 CG2 ILE A 14 1.787 10.206 -5.747 1.00 0.00 C ATOM 151 CD1 ILE A 14 1.671 13.194 -6.240 1.00 0.00 C ATOM 0 HA ILE A 14 2.984 12.363 -4.219 1.00 0.00 H new ATOM 0 HB ILE A 14 3.790 10.460 -6.437 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.635 12.837 -6.990 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.379 11.921 -7.799 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.410 9.888 -6.719 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.039 9.329 -5.151 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.021 10.787 -5.233 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.501 14.028 -6.920 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.740 12.645 -6.099 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.017 13.574 -5.279 1.00 0.00 H new ATOM 163 N THR A 15 2.874 10.643 -2.430 1.00 0.00 N ATOM 164 CA THR A 15 2.710 9.630 -1.396 1.00 0.00 C ATOM 165 C THR A 15 1.363 8.927 -1.523 1.00 0.00 C ATOM 166 O THR A 15 0.355 9.552 -1.855 1.00 0.00 O ATOM 167 CB THR A 15 2.827 10.241 0.013 1.00 0.00 C ATOM 168 OG1 THR A 15 4.020 11.027 0.109 1.00 0.00 O ATOM 169 CG2 THR A 15 2.845 9.152 1.075 1.00 0.00 C ATOM 0 H THR A 15 2.491 11.557 -2.189 1.00 0.00 H new ATOM 0 HA THR A 15 3.510 8.903 -1.536 1.00 0.00 H new ATOM 0 HB THR A 15 1.958 10.878 0.182 1.00 0.00 H new ATOM 0 HG1 THR A 15 4.086 11.413 1.007 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.928 9.607 2.062 1.00 0.00 H new ATOM 0 HG22 THR A 15 1.923 8.574 1.019 1.00 0.00 H new ATOM 0 HG23 THR A 15 3.697 8.493 0.906 1.00 0.00 H new ATOM 177 N LEU A 16 1.352 7.626 -1.256 1.00 0.00 N ATOM 178 CA LEU A 16 0.128 6.838 -1.340 1.00 0.00 C ATOM 179 C LEU A 16 -0.163 6.140 -0.015 1.00 0.00 C ATOM 180 O LEU A 16 0.698 5.458 0.542 1.00 0.00 O ATOM 181 CB LEU A 16 0.239 5.803 -2.460 1.00 0.00 C ATOM 182 CG LEU A 16 0.061 6.333 -3.884 1.00 0.00 C ATOM 183 CD1 LEU A 16 0.334 5.235 -4.900 1.00 0.00 C ATOM 184 CD2 LEU A 16 -1.339 6.899 -4.070 1.00 0.00 C ATOM 0 H LEU A 16 2.177 7.094 -0.979 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.696 7.517 -1.561 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.217 5.326 -2.391 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.507 5.028 -2.286 1.00 0.00 H new ATOM 0 HG LEU A 16 0.780 7.136 -4.046 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.203 5.630 -5.907 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.356 4.876 -4.782 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.361 4.411 -4.740 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.448 7.272 -5.088 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.075 6.116 -3.889 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.498 7.716 -3.366 1.00 0.00 H new ATOM 196 N LYS A 17 -1.381 6.315 0.485 1.00 0.00 N ATOM 197 CA LYS A 17 -1.788 5.700 1.743 1.00 0.00 C ATOM 198 C LYS A 17 -2.368 4.309 1.506 1.00 0.00 C ATOM 199 O LYS A 17 -3.312 4.143 0.733 1.00 0.00 O ATOM 200 CB LYS A 17 -2.818 6.579 2.455 1.00 0.00 C ATOM 201 CG LYS A 17 -3.290 6.011 3.782 1.00 0.00 C ATOM 202 CD LYS A 17 -3.925 7.081 4.653 1.00 0.00 C ATOM 203 CE LYS A 17 -3.914 6.684 6.122 1.00 0.00 C ATOM 204 NZ LYS A 17 -4.458 7.763 6.992 1.00 0.00 N ATOM 0 H LYS A 17 -2.104 6.878 0.038 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.904 5.604 2.374 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.386 7.565 2.625 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.679 6.717 1.801 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.010 5.213 3.601 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.446 5.566 4.309 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.389 8.021 4.525 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.951 7.253 4.329 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.503 5.777 6.257 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.894 6.451 6.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.434 7.454 7.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.881 8.621 6.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.440 7.968 6.718 1.00 0.00 H new ATOM 218 N VAL A 18 -1.799 3.313 2.178 1.00 0.00 N ATOM 219 CA VAL A 18 -2.262 1.937 2.042 1.00 0.00 C ATOM 220 C VAL A 18 -2.715 1.375 3.385 1.00 0.00 C ATOM 221 O VAL A 18 -1.894 1.056 4.245 1.00 0.00 O ATOM 222 CB VAL A 18 -1.161 1.029 1.463 1.00 0.00 C ATOM 223 CG1 VAL A 18 -1.691 -0.380 1.244 1.00 0.00 C ATOM 224 CG2 VAL A 18 -0.618 1.611 0.166 1.00 0.00 C ATOM 0 H VAL A 18 -1.017 3.433 2.822 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.107 1.954 1.354 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.343 0.976 2.181 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.899 -1.007 0.835 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.027 -0.794 2.195 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.527 -0.350 0.546 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.159 0.957 -0.229 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.426 1.696 -0.561 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.198 2.598 0.358 1.00 0.00 H new ATOM 234 N ASP A 19 -4.027 1.255 3.558 1.00 0.00 N ATOM 235 CA ASP A 19 -4.590 0.730 4.796 1.00 0.00 C ATOM 236 C ASP A 19 -4.913 -0.755 4.658 1.00 0.00 C ATOM 237 O ASP A 19 -4.717 -1.347 3.598 1.00 0.00 O ATOM 238 CB ASP A 19 -5.851 1.506 5.177 1.00 0.00 C ATOM 239 CG ASP A 19 -6.083 1.534 6.675 1.00 0.00 C ATOM 240 OD1 ASP A 19 -5.165 1.955 7.410 1.00 0.00 O ATOM 241 OD2 ASP A 19 -7.183 1.136 7.113 1.00 0.00 O ATOM 0 H ASP A 19 -4.720 1.514 2.856 1.00 0.00 H new ATOM 0 HA ASP A 19 -3.847 0.850 5.585 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.772 2.528 4.805 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.714 1.055 4.687 1.00 0.00 H new ATOM 246 N ASN A 20 -5.409 -1.350 5.738 1.00 0.00 N ATOM 247 CA ASN A 20 -5.758 -2.766 5.739 1.00 0.00 C ATOM 248 C ASN A 20 -4.575 -3.618 5.290 1.00 0.00 C ATOM 249 O ASN A 20 -4.695 -4.435 4.376 1.00 0.00 O ATOM 250 CB ASN A 20 -6.958 -3.017 4.823 1.00 0.00 C ATOM 251 CG ASN A 20 -7.347 -4.482 4.767 1.00 0.00 C ATOM 252 OD1 ASN A 20 -7.531 -4.999 3.558 1.00 0.00 O flip ATOM 253 ND2 ASN A 20 -7.479 -5.140 5.799 1.00 0.00 N flip ATOM 0 H ASN A 20 -5.578 -0.873 6.624 1.00 0.00 H new ATOM 0 HA ASN A 20 -6.021 -3.049 6.758 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -7.808 -2.431 5.174 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.723 -2.668 3.818 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.327 -4.701 6.707 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -7.740 -6.125 5.746 1.00 0.00 H new ATOM 260 N LEU A 21 -3.433 -3.422 5.939 1.00 0.00 N ATOM 261 CA LEU A 21 -2.226 -4.173 5.607 1.00 0.00 C ATOM 262 C LEU A 21 -1.884 -5.168 6.712 1.00 0.00 C ATOM 263 O LEU A 21 -1.545 -4.780 7.830 1.00 0.00 O ATOM 264 CB LEU A 21 -1.053 -3.218 5.384 1.00 0.00 C ATOM 265 CG LEU A 21 -1.101 -2.383 4.104 1.00 0.00 C ATOM 266 CD1 LEU A 21 0.076 -1.422 4.049 1.00 0.00 C ATOM 267 CD2 LEU A 21 -1.114 -3.285 2.879 1.00 0.00 C ATOM 0 H LEU A 21 -3.317 -2.750 6.698 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.414 -4.728 4.688 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.996 -2.539 6.235 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.132 -3.801 5.379 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.021 -1.798 4.109 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.025 -0.836 3.131 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.040 -0.753 4.909 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.008 -1.987 4.068 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.148 -2.674 1.977 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.212 -3.897 2.868 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.991 -3.932 2.913 1.00 0.00 H new ATOM 279 N THR A 22 -1.973 -6.455 6.390 1.00 0.00 N ATOM 280 CA THR A 22 -1.672 -7.506 7.354 1.00 0.00 C ATOM 281 C THR A 22 -0.192 -7.510 7.719 1.00 0.00 C ATOM 282 O THR A 22 0.663 -7.194 6.890 1.00 0.00 O ATOM 283 CB THR A 22 -2.058 -8.895 6.810 1.00 0.00 C ATOM 284 OG1 THR A 22 -1.764 -9.902 7.784 1.00 0.00 O ATOM 285 CG2 THR A 22 -1.313 -9.197 5.519 1.00 0.00 C ATOM 0 H THR A 22 -2.251 -6.794 5.469 1.00 0.00 H new ATOM 0 HA THR A 22 -2.263 -7.296 8.245 1.00 0.00 H new ATOM 0 HB THR A 22 -3.128 -8.894 6.601 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.014 -10.781 7.431 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.602 -10.183 5.154 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.563 -8.445 4.770 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.239 -9.180 5.706 1.00 0.00 H new ATOM 293 N TYR A 23 0.105 -7.870 8.962 1.00 0.00 N ATOM 294 CA TYR A 23 1.483 -7.913 9.437 1.00 0.00 C ATOM 295 C TYR A 23 2.410 -8.480 8.367 1.00 0.00 C ATOM 296 O TYR A 23 3.490 -7.943 8.117 1.00 0.00 O ATOM 297 CB TYR A 23 1.579 -8.756 10.710 1.00 0.00 C ATOM 298 CG TYR A 23 0.730 -10.007 10.674 1.00 0.00 C ATOM 299 CD1 TYR A 23 1.149 -11.135 9.979 1.00 0.00 C ATOM 300 CD2 TYR A 23 -0.491 -10.061 11.334 1.00 0.00 C ATOM 301 CE1 TYR A 23 0.376 -12.279 9.942 1.00 0.00 C ATOM 302 CE2 TYR A 23 -1.270 -11.201 11.304 1.00 0.00 C ATOM 303 CZ TYR A 23 -0.832 -12.308 10.607 1.00 0.00 C ATOM 304 OH TYR A 23 -1.605 -13.446 10.574 1.00 0.00 O ATOM 0 H TYR A 23 -0.590 -8.136 9.659 1.00 0.00 H new ATOM 0 HA TYR A 23 1.796 -6.893 9.660 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.620 -9.038 10.871 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.278 -8.147 11.562 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.095 -11.117 9.459 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -0.837 -9.196 11.880 1.00 0.00 H new ATOM 0 HE1 TYR A 23 0.716 -13.146 9.395 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -2.217 -11.226 11.823 1.00 0.00 H new ATOM 0 HH TYR A 23 -2.423 -13.301 11.093 1.00 0.00 H new ATOM 314 N ARG A 24 1.981 -9.569 7.737 1.00 0.00 N ATOM 315 CA ARG A 24 2.772 -10.210 6.694 1.00 0.00 C ATOM 316 C ARG A 24 3.383 -9.170 5.759 1.00 0.00 C ATOM 317 O ARG A 24 4.551 -9.269 5.380 1.00 0.00 O ATOM 318 CB ARG A 24 1.906 -11.184 5.894 1.00 0.00 C ATOM 319 CG ARG A 24 2.673 -12.383 5.360 1.00 0.00 C ATOM 320 CD ARG A 24 1.993 -12.981 4.138 1.00 0.00 C ATOM 321 NE ARG A 24 2.476 -12.384 2.896 1.00 0.00 N ATOM 322 CZ ARG A 24 2.034 -12.732 1.693 1.00 0.00 C ATOM 323 NH1 ARG A 24 1.104 -13.669 1.570 1.00 0.00 N ATOM 324 NH2 ARG A 24 2.523 -12.143 0.609 1.00 0.00 N ATOM 0 H ARG A 24 1.090 -10.026 7.931 1.00 0.00 H new ATOM 0 HA ARG A 24 3.580 -10.762 7.173 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.091 -11.537 6.527 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.453 -10.652 5.058 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.688 -12.081 5.102 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.754 -13.141 6.139 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.169 -14.057 4.115 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.916 -12.835 4.215 1.00 0.00 H new ATOM 0 HE ARG A 24 3.192 -11.660 2.956 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.726 -14.125 2.401 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.766 -13.934 0.645 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.239 -11.422 0.699 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.183 -12.411 -0.314 1.00 0.00 H new ATOM 338 N THR A 25 2.586 -8.173 5.389 1.00 0.00 N ATOM 339 CA THR A 25 3.047 -7.116 4.498 1.00 0.00 C ATOM 340 C THR A 25 4.466 -6.682 4.847 1.00 0.00 C ATOM 341 O THR A 25 4.871 -6.727 6.008 1.00 0.00 O ATOM 342 CB THR A 25 2.118 -5.888 4.554 1.00 0.00 C ATOM 343 OG1 THR A 25 0.868 -6.190 3.924 1.00 0.00 O ATOM 344 CG2 THR A 25 2.761 -4.691 3.870 1.00 0.00 C ATOM 0 H THR A 25 1.617 -8.075 5.693 1.00 0.00 H new ATOM 0 HA THR A 25 3.034 -7.526 3.488 1.00 0.00 H new ATOM 0 HB THR A 25 1.945 -5.638 5.601 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.136 -5.794 4.442 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.086 -3.836 3.922 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.697 -4.445 4.371 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.960 -4.932 2.826 1.00 0.00 H new ATOM 352 N SER A 26 5.217 -6.261 3.834 1.00 0.00 N ATOM 353 CA SER A 26 6.593 -5.821 4.034 1.00 0.00 C ATOM 354 C SER A 26 7.003 -4.814 2.964 1.00 0.00 C ATOM 355 O SER A 26 6.459 -4.788 1.860 1.00 0.00 O ATOM 356 CB SER A 26 7.542 -7.021 4.013 1.00 0.00 C ATOM 357 OG SER A 26 7.218 -7.946 5.036 1.00 0.00 O ATOM 0 H SER A 26 4.896 -6.215 2.867 1.00 0.00 H new ATOM 0 HA SER A 26 6.655 -5.335 5.007 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.488 -7.514 3.042 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.569 -6.679 4.140 1.00 0.00 H new ATOM 0 HG SER A 26 7.838 -8.704 5.000 1.00 0.00 H new ATOM 363 N PRO A 27 7.986 -3.965 3.297 1.00 0.00 N ATOM 364 CA PRO A 27 8.492 -2.941 2.378 1.00 0.00 C ATOM 365 C PRO A 27 8.724 -3.486 0.973 1.00 0.00 C ATOM 366 O PRO A 27 8.467 -2.802 -0.018 1.00 0.00 O ATOM 367 CB PRO A 27 9.820 -2.520 3.013 1.00 0.00 C ATOM 368 CG PRO A 27 9.642 -2.779 4.470 1.00 0.00 C ATOM 369 CD PRO A 27 8.680 -3.940 4.595 1.00 0.00 C ATOM 0 HA PRO A 27 7.784 -2.122 2.252 1.00 0.00 H new ATOM 0 HB2 PRO A 27 10.653 -3.095 2.607 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.035 -1.469 2.821 1.00 0.00 H new ATOM 0 HG2 PRO A 27 10.597 -3.016 4.940 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.249 -1.896 4.974 1.00 0.00 H new ATOM 0 HD2 PRO A 27 9.206 -4.876 4.785 1.00 0.00 H new ATOM 0 HD3 PRO A 27 7.982 -3.793 5.419 1.00 0.00 H new ATOM 377 N ASP A 28 9.209 -4.720 0.894 1.00 0.00 N ATOM 378 CA ASP A 28 9.473 -5.357 -0.391 1.00 0.00 C ATOM 379 C ASP A 28 8.172 -5.636 -1.137 1.00 0.00 C ATOM 380 O ASP A 28 7.916 -5.061 -2.195 1.00 0.00 O ATOM 381 CB ASP A 28 10.248 -6.660 -0.188 1.00 0.00 C ATOM 382 CG ASP A 28 11.469 -6.476 0.692 1.00 0.00 C ATOM 383 OD1 ASP A 28 12.195 -5.480 0.498 1.00 0.00 O ATOM 384 OD2 ASP A 28 11.699 -7.330 1.575 1.00 0.00 O ATOM 0 H ASP A 28 9.427 -5.299 1.705 1.00 0.00 H new ATOM 0 HA ASP A 28 10.075 -4.674 -0.990 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.590 -7.405 0.260 1.00 0.00 H new ATOM 0 HB3 ASP A 28 10.558 -7.050 -1.158 1.00 0.00 H new ATOM 389 N SER A 29 7.354 -6.523 -0.579 1.00 0.00 N ATOM 390 CA SER A 29 6.081 -6.882 -1.194 1.00 0.00 C ATOM 391 C SER A 29 5.264 -5.635 -1.517 1.00 0.00 C ATOM 392 O SER A 29 4.807 -5.454 -2.647 1.00 0.00 O ATOM 393 CB SER A 29 5.284 -7.802 -0.267 1.00 0.00 C ATOM 394 OG SER A 29 5.935 -9.051 -0.106 1.00 0.00 O ATOM 0 H SER A 29 7.550 -7.006 0.298 1.00 0.00 H new ATOM 0 HA SER A 29 6.291 -7.409 -2.125 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.160 -7.325 0.705 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.286 -7.959 -0.675 1.00 0.00 H new ATOM 0 HG SER A 29 5.407 -9.620 0.492 1.00 0.00 H new ATOM 400 N LEU A 30 5.083 -4.778 -0.519 1.00 0.00 N ATOM 401 CA LEU A 30 4.320 -3.547 -0.695 1.00 0.00 C ATOM 402 C LEU A 30 4.882 -2.718 -1.846 1.00 0.00 C ATOM 403 O LEU A 30 4.132 -2.126 -2.622 1.00 0.00 O ATOM 404 CB LEU A 30 4.335 -2.726 0.595 1.00 0.00 C ATOM 405 CG LEU A 30 3.543 -1.418 0.567 1.00 0.00 C ATOM 406 CD1 LEU A 30 2.105 -1.674 0.144 1.00 0.00 C ATOM 407 CD2 LEU A 30 3.588 -0.738 1.928 1.00 0.00 C ATOM 0 H LEU A 30 5.454 -4.913 0.421 1.00 0.00 H new ATOM 0 HA LEU A 30 3.291 -3.817 -0.935 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.945 -3.347 1.402 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.371 -2.495 0.843 1.00 0.00 H new ATOM 0 HG LEU A 30 4.002 -0.753 -0.164 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.557 -0.732 0.130 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.092 -2.116 -0.852 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.634 -2.357 0.851 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.019 0.191 1.890 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.154 -1.398 2.679 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.623 -0.519 2.191 1.00 0.00 H new ATOM 419 N ARG A 31 6.207 -2.683 -1.950 1.00 0.00 N ATOM 420 CA ARG A 31 6.870 -1.928 -3.007 1.00 0.00 C ATOM 421 C ARG A 31 6.573 -2.533 -4.376 1.00 0.00 C ATOM 422 O ARG A 31 6.323 -1.813 -5.343 1.00 0.00 O ATOM 423 CB ARG A 31 8.380 -1.895 -2.768 1.00 0.00 C ATOM 424 CG ARG A 31 9.159 -1.218 -3.885 1.00 0.00 C ATOM 425 CD ARG A 31 10.576 -1.760 -3.984 1.00 0.00 C ATOM 426 NE ARG A 31 11.344 -1.510 -2.768 1.00 0.00 N ATOM 427 CZ ARG A 31 12.494 -2.113 -2.487 1.00 0.00 C ATOM 428 NH1 ARG A 31 13.006 -2.997 -3.332 1.00 0.00 N ATOM 429 NH2 ARG A 31 13.134 -1.832 -1.359 1.00 0.00 N ATOM 0 H ARG A 31 6.842 -3.168 -1.316 1.00 0.00 H new ATOM 0 HA ARG A 31 6.484 -0.909 -2.989 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.580 -1.376 -1.831 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.743 -2.916 -2.650 1.00 0.00 H new ATOM 0 HG2 ARG A 31 8.643 -1.370 -4.833 1.00 0.00 H new ATOM 0 HG3 ARG A 31 9.191 -0.143 -3.708 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.541 -2.832 -4.177 1.00 0.00 H new ATOM 0 HD3 ARG A 31 11.082 -1.300 -4.833 1.00 0.00 H new ATOM 0 HE ARG A 31 10.977 -0.835 -2.097 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.517 -3.215 -4.200 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.889 -3.459 -3.114 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.743 -1.152 -0.707 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.017 -2.296 -1.144 1.00 0.00 H new ATOM 443 N ARG A 32 6.603 -3.860 -4.450 1.00 0.00 N ATOM 444 CA ARG A 32 6.340 -4.562 -5.700 1.00 0.00 C ATOM 445 C ARG A 32 4.940 -4.244 -6.217 1.00 0.00 C ATOM 446 O ARG A 32 4.733 -4.079 -7.419 1.00 0.00 O ATOM 447 CB ARG A 32 6.493 -6.071 -5.504 1.00 0.00 C ATOM 448 CG ARG A 32 6.395 -6.866 -6.796 1.00 0.00 C ATOM 449 CD ARG A 32 7.759 -7.044 -7.445 1.00 0.00 C ATOM 450 NE ARG A 32 7.652 -7.335 -8.872 1.00 0.00 N ATOM 451 CZ ARG A 32 8.665 -7.218 -9.724 1.00 0.00 C ATOM 452 NH1 ARG A 32 9.854 -6.819 -9.295 1.00 0.00 N ATOM 453 NH2 ARG A 32 8.490 -7.502 -11.008 1.00 0.00 N ATOM 0 H ARG A 32 6.807 -4.470 -3.659 1.00 0.00 H new ATOM 0 HA ARG A 32 7.067 -4.223 -6.438 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.457 -6.272 -5.036 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.724 -6.419 -4.814 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.958 -7.843 -6.591 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.725 -6.356 -7.488 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.349 -6.139 -7.303 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.294 -7.854 -6.949 1.00 0.00 H new ATOM 0 HE ARG A 32 6.750 -7.645 -9.235 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.993 -6.601 -8.308 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.630 -6.730 -9.951 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.577 -7.811 -11.342 1.00 0.00 H new ATOM 0 HH22 ARG A 32 9.268 -7.412 -11.661 1.00 0.00 H new ATOM 467 N VAL A 33 3.981 -4.162 -5.300 1.00 0.00 N ATOM 468 CA VAL A 33 2.600 -3.864 -5.662 1.00 0.00 C ATOM 469 C VAL A 33 2.530 -2.711 -6.658 1.00 0.00 C ATOM 470 O VAL A 33 1.753 -2.748 -7.613 1.00 0.00 O ATOM 471 CB VAL A 33 1.759 -3.509 -4.422 1.00 0.00 C ATOM 472 CG1 VAL A 33 0.388 -2.996 -4.836 1.00 0.00 C ATOM 473 CG2 VAL A 33 1.631 -4.714 -3.503 1.00 0.00 C ATOM 0 H VAL A 33 4.135 -4.298 -4.301 1.00 0.00 H new ATOM 0 HA VAL A 33 2.192 -4.764 -6.123 1.00 0.00 H new ATOM 0 HB VAL A 33 2.267 -2.715 -3.874 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.192 -2.750 -3.947 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.504 -2.104 -5.452 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.131 -3.766 -5.407 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.034 -4.445 -2.632 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.145 -5.530 -4.038 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.622 -5.032 -3.179 1.00 0.00 H new ATOM 483 N PHE A 34 3.346 -1.688 -6.429 1.00 0.00 N ATOM 484 CA PHE A 34 3.377 -0.524 -7.306 1.00 0.00 C ATOM 485 C PHE A 34 4.554 -0.602 -8.274 1.00 0.00 C ATOM 486 O PHE A 34 4.529 0.000 -9.347 1.00 0.00 O ATOM 487 CB PHE A 34 3.466 0.761 -6.480 1.00 0.00 C ATOM 488 CG PHE A 34 2.516 0.794 -5.317 1.00 0.00 C ATOM 489 CD1 PHE A 34 1.211 0.350 -5.459 1.00 0.00 C ATOM 490 CD2 PHE A 34 2.927 1.268 -4.082 1.00 0.00 C ATOM 491 CE1 PHE A 34 0.334 0.378 -4.391 1.00 0.00 C ATOM 492 CE2 PHE A 34 2.055 1.298 -3.010 1.00 0.00 C ATOM 493 CZ PHE A 34 0.756 0.854 -3.165 1.00 0.00 C ATOM 0 H PHE A 34 3.995 -1.641 -5.643 1.00 0.00 H new ATOM 0 HA PHE A 34 2.454 -0.513 -7.885 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.485 0.875 -6.110 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.264 1.614 -7.128 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.875 -0.022 -6.416 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.941 1.618 -3.955 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.680 0.028 -4.515 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.389 1.668 -2.052 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.072 0.879 -2.330 1.00 0.00 H new ATOM 503 N GLU A 35 5.583 -1.348 -7.885 1.00 0.00 N ATOM 504 CA GLU A 35 6.770 -1.504 -8.718 1.00 0.00 C ATOM 505 C GLU A 35 6.395 -2.003 -10.111 1.00 0.00 C ATOM 506 O GLU A 35 6.946 -1.549 -11.114 1.00 0.00 O ATOM 507 CB GLU A 35 7.754 -2.476 -8.064 1.00 0.00 C ATOM 508 CG GLU A 35 9.205 -2.214 -8.434 1.00 0.00 C ATOM 509 CD GLU A 35 9.407 -2.061 -9.929 1.00 0.00 C ATOM 510 OE1 GLU A 35 9.407 -3.091 -10.635 1.00 0.00 O ATOM 511 OE2 GLU A 35 9.566 -0.913 -10.392 1.00 0.00 O ATOM 0 H GLU A 35 5.619 -1.853 -7.000 1.00 0.00 H new ATOM 0 HA GLU A 35 7.245 -0.528 -8.816 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.647 -2.414 -6.981 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.492 -3.494 -8.353 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.547 -1.310 -7.930 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.823 -3.035 -8.070 1.00 0.00 H new ATOM 518 N LYS A 36 5.455 -2.940 -10.165 1.00 0.00 N ATOM 519 CA LYS A 36 5.005 -3.501 -11.433 1.00 0.00 C ATOM 520 C LYS A 36 4.523 -2.401 -12.374 1.00 0.00 C ATOM 521 O LYS A 36 4.387 -2.618 -13.578 1.00 0.00 O ATOM 522 CB LYS A 36 3.881 -4.512 -11.196 1.00 0.00 C ATOM 523 CG LYS A 36 2.685 -3.932 -10.460 1.00 0.00 C ATOM 524 CD LYS A 36 1.566 -4.951 -10.325 1.00 0.00 C ATOM 525 CE LYS A 36 1.912 -6.028 -9.309 1.00 0.00 C ATOM 526 NZ LYS A 36 1.233 -7.318 -9.614 1.00 0.00 N ATOM 0 H LYS A 36 4.989 -3.327 -9.344 1.00 0.00 H new ATOM 0 HA LYS A 36 5.850 -4.008 -11.898 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.550 -4.906 -12.157 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.275 -5.353 -10.626 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.994 -3.596 -9.470 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.318 -3.056 -10.994 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.648 -4.447 -10.024 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.373 -5.412 -11.294 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.991 -6.180 -9.295 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.624 -5.693 -8.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.495 -8.026 -8.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.202 -7.179 -9.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.527 -7.651 -10.554 1.00 0.00 H new ATOM 540 N TYR A 37 4.270 -1.222 -11.818 1.00 0.00 N ATOM 541 CA TYR A 37 3.803 -0.089 -12.608 1.00 0.00 C ATOM 542 C TYR A 37 4.868 1.001 -12.680 1.00 0.00 C ATOM 543 O TYR A 37 5.328 1.365 -13.761 1.00 0.00 O ATOM 544 CB TYR A 37 2.515 0.480 -12.011 1.00 0.00 C ATOM 545 CG TYR A 37 1.403 -0.538 -11.888 1.00 0.00 C ATOM 546 CD1 TYR A 37 0.784 -1.059 -13.017 1.00 0.00 C ATOM 547 CD2 TYR A 37 0.973 -0.978 -10.642 1.00 0.00 C ATOM 548 CE1 TYR A 37 -0.232 -1.989 -12.909 1.00 0.00 C ATOM 549 CE2 TYR A 37 -0.042 -1.908 -10.525 1.00 0.00 C ATOM 550 CZ TYR A 37 -0.641 -2.410 -11.661 1.00 0.00 C ATOM 551 OH TYR A 37 -1.653 -3.337 -11.550 1.00 0.00 O ATOM 0 H TYR A 37 4.380 -1.026 -10.823 1.00 0.00 H new ATOM 0 HA TYR A 37 3.602 -0.443 -13.619 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.732 0.890 -11.025 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.172 1.308 -12.632 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.102 -0.732 -13.996 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.440 -0.587 -9.750 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.703 -2.384 -13.797 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.364 -2.240 -9.549 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.820 -3.527 -10.603 1.00 0.00 H new ATOM 561 N GLY A 38 5.256 1.518 -11.517 1.00 0.00 N ATOM 562 CA GLY A 38 6.265 2.560 -11.469 1.00 0.00 C ATOM 563 C GLY A 38 7.174 2.431 -10.263 1.00 0.00 C ATOM 564 O GLY A 38 6.768 1.913 -9.223 1.00 0.00 O ATOM 0 H GLY A 38 4.890 1.234 -10.609 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.865 2.523 -12.378 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.776 3.534 -11.449 1.00 0.00 H new ATOM 568 N ARG A 39 8.409 2.903 -10.402 1.00 0.00 N ATOM 569 CA ARG A 39 9.379 2.835 -9.316 1.00 0.00 C ATOM 570 C ARG A 39 8.795 3.408 -8.028 1.00 0.00 C ATOM 571 O ARG A 39 7.864 4.213 -8.061 1.00 0.00 O ATOM 572 CB ARG A 39 10.653 3.595 -9.694 1.00 0.00 C ATOM 573 CG ARG A 39 11.523 2.862 -10.702 1.00 0.00 C ATOM 574 CD ARG A 39 12.878 3.533 -10.859 1.00 0.00 C ATOM 575 NE ARG A 39 13.884 2.617 -11.391 1.00 0.00 N ATOM 576 CZ ARG A 39 15.106 2.995 -11.748 1.00 0.00 C ATOM 577 NH1 ARG A 39 15.473 4.264 -11.629 1.00 0.00 N ATOM 578 NH2 ARG A 39 15.965 2.103 -12.223 1.00 0.00 N ATOM 0 H ARG A 39 8.761 3.336 -11.256 1.00 0.00 H new ATOM 0 HA ARG A 39 9.625 1.787 -9.147 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.378 4.567 -10.103 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.236 3.782 -8.792 1.00 0.00 H new ATOM 0 HG2 ARG A 39 11.662 1.829 -10.382 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.017 2.831 -11.667 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.782 4.392 -11.523 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.209 3.913 -9.892 1.00 0.00 H new ATOM 0 HE ARG A 39 13.634 1.633 -11.494 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.816 4.953 -11.262 1.00 0.00 H new ATOM 0 HH12 ARG A 39 16.412 4.551 -11.904 1.00 0.00 H new ATOM 0 HH21 ARG A 39 15.687 1.126 -12.314 1.00 0.00 H new ATOM 0 HH22 ARG A 39 16.903 2.394 -12.497 1.00 0.00 H new ATOM 592 N VAL A 40 9.348 2.987 -6.895 1.00 0.00 N ATOM 593 CA VAL A 40 8.883 3.459 -5.596 1.00 0.00 C ATOM 594 C VAL A 40 9.952 4.291 -4.898 1.00 0.00 C ATOM 595 O VAL A 40 10.887 3.752 -4.309 1.00 0.00 O ATOM 596 CB VAL A 40 8.485 2.284 -4.683 1.00 0.00 C ATOM 597 CG1 VAL A 40 7.926 2.798 -3.365 1.00 0.00 C ATOM 598 CG2 VAL A 40 7.478 1.383 -5.382 1.00 0.00 C ATOM 0 H VAL A 40 10.118 2.320 -6.850 1.00 0.00 H new ATOM 0 HA VAL A 40 8.007 4.081 -5.780 1.00 0.00 H new ATOM 0 HB VAL A 40 9.377 1.696 -4.468 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.650 1.954 -2.733 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.682 3.399 -2.859 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.045 3.410 -3.558 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.208 0.558 -4.722 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.585 1.958 -5.628 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.918 0.987 -6.297 1.00 0.00 H new ATOM 608 N GLY A 41 9.807 5.611 -4.969 1.00 0.00 N ATOM 609 CA GLY A 41 10.768 6.498 -4.339 1.00 0.00 C ATOM 610 C GLY A 41 11.226 5.990 -2.986 1.00 0.00 C ATOM 611 O GLY A 41 12.425 5.899 -2.723 1.00 0.00 O ATOM 0 H GLY A 41 9.041 6.082 -5.451 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.633 6.614 -4.992 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.323 7.486 -4.221 1.00 0.00 H new ATOM 615 N ASP A 42 10.269 5.659 -2.126 1.00 0.00 N ATOM 616 CA ASP A 42 10.581 5.158 -0.792 1.00 0.00 C ATOM 617 C ASP A 42 9.372 4.456 -0.180 1.00 0.00 C ATOM 618 O ASP A 42 8.229 4.742 -0.535 1.00 0.00 O ATOM 619 CB ASP A 42 11.034 6.304 0.113 1.00 0.00 C ATOM 620 CG ASP A 42 11.169 5.878 1.562 1.00 0.00 C ATOM 621 OD1 ASP A 42 11.766 4.811 1.814 1.00 0.00 O ATOM 622 OD2 ASP A 42 10.676 6.612 2.445 1.00 0.00 O ATOM 0 H ASP A 42 9.272 5.728 -2.328 1.00 0.00 H new ATOM 0 HA ASP A 42 11.392 4.435 -0.882 1.00 0.00 H new ATOM 0 HB2 ASP A 42 11.991 6.686 -0.241 1.00 0.00 H new ATOM 0 HB3 ASP A 42 10.318 7.123 0.043 1.00 0.00 H new ATOM 627 N VAL A 43 9.634 3.536 0.743 1.00 0.00 N ATOM 628 CA VAL A 43 8.568 2.794 1.406 1.00 0.00 C ATOM 629 C VAL A 43 8.757 2.794 2.919 1.00 0.00 C ATOM 630 O VAL A 43 9.854 2.542 3.418 1.00 0.00 O ATOM 631 CB VAL A 43 8.505 1.337 0.908 1.00 0.00 C ATOM 632 CG1 VAL A 43 7.165 0.710 1.259 1.00 0.00 C ATOM 633 CG2 VAL A 43 8.755 1.276 -0.592 1.00 0.00 C ATOM 0 H VAL A 43 10.575 3.287 1.048 1.00 0.00 H new ATOM 0 HA VAL A 43 7.632 3.296 1.159 1.00 0.00 H new ATOM 0 HB VAL A 43 9.288 0.766 1.408 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.139 -0.319 0.899 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.031 0.720 2.341 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.363 1.279 0.789 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.707 0.240 -0.927 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.996 1.861 -1.111 1.00 0.00 H new ATOM 0 HG23 VAL A 43 9.741 1.683 -0.813 1.00 0.00 H new ATOM 643 N TYR A 44 7.680 3.077 3.643 1.00 0.00 N ATOM 644 CA TYR A 44 7.727 3.112 5.100 1.00 0.00 C ATOM 645 C TYR A 44 6.519 2.399 5.701 1.00 0.00 C ATOM 646 O TYR A 44 5.374 2.703 5.365 1.00 0.00 O ATOM 647 CB TYR A 44 7.778 4.558 5.595 1.00 0.00 C ATOM 648 CG TYR A 44 8.045 4.682 7.078 1.00 0.00 C ATOM 649 CD1 TYR A 44 9.341 4.631 7.577 1.00 0.00 C ATOM 650 CD2 TYR A 44 7.002 4.848 7.981 1.00 0.00 C ATOM 651 CE1 TYR A 44 9.590 4.742 8.931 1.00 0.00 C ATOM 652 CE2 TYR A 44 7.242 4.962 9.337 1.00 0.00 C ATOM 653 CZ TYR A 44 8.537 4.908 9.807 1.00 0.00 C ATOM 654 OH TYR A 44 8.780 5.020 11.157 1.00 0.00 O ATOM 0 H TYR A 44 6.764 3.285 3.245 1.00 0.00 H new ATOM 0 HA TYR A 44 8.630 2.593 5.422 1.00 0.00 H new ATOM 0 HB2 TYR A 44 8.555 5.093 5.049 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.831 5.046 5.363 1.00 0.00 H new ATOM 0 HD1 TYR A 44 10.168 4.502 6.894 1.00 0.00 H new ATOM 0 HD2 TYR A 44 5.986 4.889 7.617 1.00 0.00 H new ATOM 0 HE1 TYR A 44 10.603 4.699 9.302 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.420 5.093 10.025 1.00 0.00 H new ATOM 0 HH TYR A 44 7.931 5.133 11.634 1.00 0.00 H new ATOM 664 N ILE A 45 6.784 1.450 6.592 1.00 0.00 N ATOM 665 CA ILE A 45 5.720 0.694 7.242 1.00 0.00 C ATOM 666 C ILE A 45 5.838 0.774 8.760 1.00 0.00 C ATOM 667 O ILE A 45 6.531 -0.020 9.396 1.00 0.00 O ATOM 668 CB ILE A 45 5.738 -0.785 6.814 1.00 0.00 C ATOM 669 CG1 ILE A 45 5.590 -0.901 5.295 1.00 0.00 C ATOM 670 CG2 ILE A 45 4.630 -1.554 7.519 1.00 0.00 C ATOM 671 CD1 ILE A 45 5.766 -2.311 4.777 1.00 0.00 C ATOM 0 H ILE A 45 7.726 1.186 6.881 1.00 0.00 H new ATOM 0 HA ILE A 45 4.777 1.143 6.929 1.00 0.00 H new ATOM 0 HB ILE A 45 6.695 -1.219 7.102 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.605 -0.536 5.005 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.323 -0.252 4.816 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.656 -2.598 7.206 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.775 -1.495 8.598 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.664 -1.121 7.259 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.648 -2.318 3.693 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.761 -2.672 5.036 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.016 -2.961 5.228 1.00 0.00 H new ATOM 683 N PRO A 46 5.143 1.753 9.357 1.00 0.00 N ATOM 684 CA PRO A 46 5.152 1.959 10.809 1.00 0.00 C ATOM 685 C PRO A 46 4.932 0.661 11.579 1.00 0.00 C ATOM 686 O PRO A 46 4.357 -0.293 11.055 1.00 0.00 O ATOM 687 CB PRO A 46 3.983 2.920 11.038 1.00 0.00 C ATOM 688 CG PRO A 46 3.861 3.679 9.761 1.00 0.00 C ATOM 689 CD PRO A 46 4.296 2.736 8.661 1.00 0.00 C ATOM 0 HA PRO A 46 6.111 2.340 11.161 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.065 2.379 11.266 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.177 3.587 11.878 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.835 4.012 9.604 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.487 4.571 9.778 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.441 2.259 8.181 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.849 3.259 7.881 1.00 0.00 H new ATOM 851 N GLY A 56 -1.628 -0.864 10.516 1.00 0.00 N ATOM 852 CA GLY A 56 -2.675 -1.076 9.534 1.00 0.00 C ATOM 853 C GLY A 56 -2.517 -0.189 8.316 1.00 0.00 C ATOM 854 O GLY A 56 -2.984 -0.526 7.228 1.00 0.00 O ATOM 0 HA2 GLY A 56 -2.670 -2.120 9.222 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.644 -0.886 9.995 1.00 0.00 H new ATOM 858 N PHE A 57 -1.858 0.951 8.498 1.00 0.00 N ATOM 859 CA PHE A 57 -1.641 1.892 7.405 1.00 0.00 C ATOM 860 C PHE A 57 -0.159 1.990 7.057 1.00 0.00 C ATOM 861 O PHE A 57 0.704 1.813 7.916 1.00 0.00 O ATOM 862 CB PHE A 57 -2.181 3.274 7.779 1.00 0.00 C ATOM 863 CG PHE A 57 -1.729 3.748 9.130 1.00 0.00 C ATOM 864 CD1 PHE A 57 -0.400 4.062 9.360 1.00 0.00 C ATOM 865 CD2 PHE A 57 -2.634 3.880 10.171 1.00 0.00 C ATOM 866 CE1 PHE A 57 0.020 4.500 10.602 1.00 0.00 C ATOM 867 CE2 PHE A 57 -2.221 4.317 11.415 1.00 0.00 C ATOM 868 CZ PHE A 57 -0.892 4.626 11.631 1.00 0.00 C ATOM 0 H PHE A 57 -1.465 1.245 9.392 1.00 0.00 H new ATOM 0 HA PHE A 57 -2.178 1.524 6.531 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -1.865 3.995 7.025 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -3.270 3.248 7.758 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.317 3.963 8.559 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.674 3.639 10.008 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.059 4.743 10.767 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.937 4.417 12.218 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.567 4.966 12.603 1.00 0.00 H new ATOM 878 N ALA A 58 0.128 2.272 5.790 1.00 0.00 N ATOM 879 CA ALA A 58 1.505 2.394 5.328 1.00 0.00 C ATOM 880 C ALA A 58 1.675 3.613 4.428 1.00 0.00 C ATOM 881 O ALA A 58 0.697 4.173 3.932 1.00 0.00 O ATOM 882 CB ALA A 58 1.930 1.131 4.595 1.00 0.00 C ATOM 0 H ALA A 58 -0.575 2.420 5.066 1.00 0.00 H new ATOM 0 HA ALA A 58 2.145 2.526 6.200 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.960 1.237 4.256 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.855 0.277 5.268 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.279 0.973 3.735 1.00 0.00 H new ATOM 888 N PHE A 59 2.923 4.021 4.221 1.00 0.00 N ATOM 889 CA PHE A 59 3.221 5.175 3.381 1.00 0.00 C ATOM 890 C PHE A 59 4.184 4.798 2.259 1.00 0.00 C ATOM 891 O PHE A 59 5.311 4.370 2.510 1.00 0.00 O ATOM 892 CB PHE A 59 3.819 6.304 4.223 1.00 0.00 C ATOM 893 CG PHE A 59 2.875 6.843 5.260 1.00 0.00 C ATOM 894 CD1 PHE A 59 1.932 7.802 4.926 1.00 0.00 C ATOM 895 CD2 PHE A 59 2.931 6.391 6.568 1.00 0.00 C ATOM 896 CE1 PHE A 59 1.063 8.300 5.878 1.00 0.00 C ATOM 897 CE2 PHE A 59 2.064 6.885 7.525 1.00 0.00 C ATOM 898 CZ PHE A 59 1.128 7.840 7.179 1.00 0.00 C ATOM 0 H PHE A 59 3.744 3.569 4.624 1.00 0.00 H new ATOM 0 HA PHE A 59 2.288 5.518 2.935 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.720 5.940 4.717 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.124 7.116 3.563 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.876 8.164 3.910 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.661 5.644 6.844 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.334 9.048 5.605 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.119 6.525 8.542 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.448 8.226 7.924 1.00 0.00 H new ATOM 908 N VAL A 60 3.731 4.958 1.020 1.00 0.00 N ATOM 909 CA VAL A 60 4.551 4.635 -0.142 1.00 0.00 C ATOM 910 C VAL A 60 4.719 5.847 -1.050 1.00 0.00 C ATOM 911 O VAL A 60 3.739 6.413 -1.535 1.00 0.00 O ATOM 912 CB VAL A 60 3.941 3.478 -0.955 1.00 0.00 C ATOM 913 CG1 VAL A 60 4.938 2.964 -1.983 1.00 0.00 C ATOM 914 CG2 VAL A 60 3.489 2.357 -0.031 1.00 0.00 C ATOM 0 H VAL A 60 2.800 5.309 0.795 1.00 0.00 H new ATOM 0 HA VAL A 60 5.527 4.329 0.234 1.00 0.00 H new ATOM 0 HB VAL A 60 3.067 3.853 -1.488 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.489 2.147 -2.548 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.207 3.771 -2.664 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.833 2.605 -1.474 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.061 1.548 -0.623 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.344 1.982 0.531 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.738 2.737 0.662 1.00 0.00 H new ATOM 924 N ARG A 61 5.968 6.241 -1.277 1.00 0.00 N ATOM 925 CA ARG A 61 6.265 7.388 -2.128 1.00 0.00 C ATOM 926 C ARG A 61 6.531 6.945 -3.564 1.00 0.00 C ATOM 927 O ARG A 61 7.085 5.872 -3.801 1.00 0.00 O ATOM 928 CB ARG A 61 7.474 8.152 -1.586 1.00 0.00 C ATOM 929 CG ARG A 61 7.267 8.707 -0.186 1.00 0.00 C ATOM 930 CD ARG A 61 8.266 9.810 0.129 1.00 0.00 C ATOM 931 NE ARG A 61 7.738 10.765 1.099 1.00 0.00 N ATOM 932 CZ ARG A 61 8.483 11.678 1.711 1.00 0.00 C ATOM 933 NH1 ARG A 61 9.781 11.760 1.455 1.00 0.00 N ATOM 934 NH2 ARG A 61 7.929 12.513 2.582 1.00 0.00 N ATOM 0 H ARG A 61 6.790 5.783 -0.884 1.00 0.00 H new ATOM 0 HA ARG A 61 5.396 8.046 -2.124 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.339 7.489 -1.580 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.707 8.974 -2.263 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.253 9.096 -0.094 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.368 7.904 0.544 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.183 9.368 0.518 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.529 10.334 -0.790 1.00 0.00 H new ATOM 0 HE ARG A 61 6.743 10.729 1.319 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.210 11.121 0.786 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.350 12.462 1.927 1.00 0.00 H new ATOM 0 HH21 ARG A 61 6.930 12.453 2.781 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.502 13.214 3.052 1.00 0.00 H new ATOM 948 N PHE A 62 6.131 7.779 -4.518 1.00 0.00 N ATOM 949 CA PHE A 62 6.324 7.474 -5.931 1.00 0.00 C ATOM 950 C PHE A 62 7.284 8.469 -6.576 1.00 0.00 C ATOM 951 O PHE A 62 7.686 9.453 -5.954 1.00 0.00 O ATOM 952 CB PHE A 62 4.983 7.491 -6.666 1.00 0.00 C ATOM 953 CG PHE A 62 4.156 6.260 -6.434 1.00 0.00 C ATOM 954 CD1 PHE A 62 3.954 5.776 -5.151 1.00 0.00 C ATOM 955 CD2 PHE A 62 3.580 5.585 -7.498 1.00 0.00 C ATOM 956 CE1 PHE A 62 3.193 4.643 -4.935 1.00 0.00 C ATOM 957 CE2 PHE A 62 2.818 4.451 -7.288 1.00 0.00 C ATOM 958 CZ PHE A 62 2.624 3.980 -6.005 1.00 0.00 C ATOM 0 H PHE A 62 5.671 8.672 -4.338 1.00 0.00 H new ATOM 0 HA PHE A 62 6.758 6.477 -6.006 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.415 8.365 -6.349 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.165 7.600 -7.735 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.396 6.290 -4.311 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.728 5.949 -8.504 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.043 4.276 -3.930 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.375 3.934 -8.127 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.028 3.095 -5.838 1.00 0.00 H new ATOM 968 N HIS A 63 7.648 8.205 -7.827 1.00 0.00 N ATOM 969 CA HIS A 63 8.561 9.078 -8.558 1.00 0.00 C ATOM 970 C HIS A 63 7.789 10.081 -9.409 1.00 0.00 C ATOM 971 O HIS A 63 8.249 11.200 -9.637 1.00 0.00 O ATOM 972 CB HIS A 63 9.492 8.249 -9.443 1.00 0.00 C ATOM 973 CG HIS A 63 10.634 7.631 -8.698 1.00 0.00 C ATOM 974 ND1 HIS A 63 10.782 6.392 -8.172 1.00 0.00 N flip ATOM 975 CD2 HIS A 63 11.804 8.306 -8.418 1.00 0.00 C flip ATOM 976 CE1 HIS A 63 12.025 6.342 -7.591 1.00 0.00 C flip ATOM 977 NE2 HIS A 63 12.621 7.509 -7.753 1.00 0.00 N flip ATOM 0 H HIS A 63 7.325 7.395 -8.356 1.00 0.00 H new ATOM 0 HA HIS A 63 9.158 9.629 -7.832 1.00 0.00 H new ATOM 0 HB2 HIS A 63 8.914 7.460 -9.925 1.00 0.00 H new ATOM 0 HB3 HIS A 63 9.887 8.884 -10.235 1.00 0.00 H new ATOM 0 HD2 HIS A 63 12.019 9.327 -8.699 1.00 0.00 H new ATOM 0 HE1 HIS A 63 12.447 5.487 -7.084 1.00 0.00 H new ATOM 0 HE2 HIS A 63 13.554 7.754 -7.421 1.00 0.00 H new ATOM 985 N ASP A 64 6.615 9.672 -9.877 1.00 0.00 N ATOM 986 CA ASP A 64 5.779 10.535 -10.704 1.00 0.00 C ATOM 987 C ASP A 64 4.302 10.334 -10.379 1.00 0.00 C ATOM 988 O ASP A 64 3.921 9.333 -9.770 1.00 0.00 O ATOM 989 CB ASP A 64 6.030 10.257 -12.186 1.00 0.00 C ATOM 990 CG ASP A 64 5.609 11.413 -13.072 1.00 0.00 C ATOM 991 OD1 ASP A 64 5.960 12.567 -12.747 1.00 0.00 O ATOM 992 OD2 ASP A 64 4.929 11.165 -14.089 1.00 0.00 O ATOM 0 H ASP A 64 6.221 8.749 -9.698 1.00 0.00 H new ATOM 0 HA ASP A 64 6.043 11.570 -10.487 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.090 10.052 -12.340 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.486 9.360 -12.481 1.00 0.00 H new ATOM 997 N ARG A 65 3.475 11.291 -10.788 1.00 0.00 N ATOM 998 CA ARG A 65 2.041 11.219 -10.539 1.00 0.00 C ATOM 999 C ARG A 65 1.397 10.120 -11.379 1.00 0.00 C ATOM 1000 O ARG A 65 0.791 9.191 -10.845 1.00 0.00 O ATOM 1001 CB ARG A 65 1.380 12.564 -10.846 1.00 0.00 C ATOM 1002 CG ARG A 65 -0.018 12.703 -10.266 1.00 0.00 C ATOM 1003 CD ARG A 65 -0.354 14.155 -9.964 1.00 0.00 C ATOM 1004 NE ARG A 65 -0.790 14.876 -11.158 1.00 0.00 N ATOM 1005 CZ ARG A 65 -0.770 16.199 -11.265 1.00 0.00 C ATOM 1006 NH1 ARG A 65 -0.338 16.943 -10.256 1.00 0.00 N ATOM 1007 NH2 ARG A 65 -1.183 16.782 -12.383 1.00 0.00 N ATOM 0 H ARG A 65 3.774 12.125 -11.293 1.00 0.00 H new ATOM 0 HA ARG A 65 1.893 10.981 -9.486 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.007 13.365 -10.455 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.330 12.696 -11.927 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.746 12.298 -10.969 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.094 12.113 -9.353 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.139 14.196 -9.209 1.00 0.00 H new ATOM 0 HD3 ARG A 65 0.521 14.649 -9.541 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.128 14.333 -11.953 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -0.020 16.499 -9.395 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.324 17.959 -10.341 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.516 16.214 -13.162 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -1.167 17.799 -12.464 1.00 0.00 H new ATOM 1021 N ARG A 66 1.531 10.235 -12.696 1.00 0.00 N ATOM 1022 CA ARG A 66 0.961 9.252 -13.611 1.00 0.00 C ATOM 1023 C ARG A 66 1.130 7.838 -13.063 1.00 0.00 C ATOM 1024 O ARG A 66 0.171 7.069 -12.995 1.00 0.00 O ATOM 1025 CB ARG A 66 1.622 9.361 -14.986 1.00 0.00 C ATOM 1026 CG ARG A 66 0.817 8.714 -16.101 1.00 0.00 C ATOM 1027 CD ARG A 66 1.437 8.982 -17.464 1.00 0.00 C ATOM 1028 NE ARG A 66 0.463 8.847 -18.544 1.00 0.00 N ATOM 1029 CZ ARG A 66 0.763 9.008 -19.828 1.00 0.00 C ATOM 1030 NH1 ARG A 66 2.003 9.308 -20.190 1.00 0.00 N ATOM 1031 NH2 ARG A 66 -0.178 8.869 -20.753 1.00 0.00 N ATOM 0 H ARG A 66 2.029 10.998 -13.154 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.104 9.459 -13.711 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.775 10.414 -15.224 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.607 8.897 -14.944 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.758 7.639 -15.932 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.204 9.096 -16.083 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.858 9.987 -17.479 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.261 8.288 -17.630 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.500 8.617 -18.299 1.00 0.00 H new ATOM 0 HH11 ARG A 66 2.729 9.416 -19.482 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.231 9.431 -21.177 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.133 8.638 -20.478 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.053 8.993 -21.739 1.00 0.00 H new ATOM 1045 N ASP A 67 2.356 7.502 -12.676 1.00 0.00 N ATOM 1046 CA ASP A 67 2.651 6.180 -12.134 1.00 0.00 C ATOM 1047 C ASP A 67 1.673 5.819 -11.020 1.00 0.00 C ATOM 1048 O ASP A 67 1.022 4.776 -11.066 1.00 0.00 O ATOM 1049 CB ASP A 67 4.086 6.131 -11.607 1.00 0.00 C ATOM 1050 CG ASP A 67 5.105 5.965 -12.717 1.00 0.00 C ATOM 1051 OD1 ASP A 67 4.807 6.368 -13.861 1.00 0.00 O ATOM 1052 OD2 ASP A 67 6.200 5.433 -12.442 1.00 0.00 O ATOM 0 H ASP A 67 3.161 8.126 -12.727 1.00 0.00 H new ATOM 0 HA ASP A 67 2.542 5.452 -12.938 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.299 7.047 -11.056 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.183 5.305 -10.902 1.00 0.00 H new ATOM 1057 N ALA A 68 1.577 6.689 -10.019 1.00 0.00 N ATOM 1058 CA ALA A 68 0.679 6.462 -8.894 1.00 0.00 C ATOM 1059 C ALA A 68 -0.743 6.191 -9.372 1.00 0.00 C ATOM 1060 O ALA A 68 -1.387 5.243 -8.924 1.00 0.00 O ATOM 1061 CB ALA A 68 0.703 7.656 -7.951 1.00 0.00 C ATOM 0 H ALA A 68 2.110 7.557 -9.965 1.00 0.00 H new ATOM 0 HA ALA A 68 1.027 5.580 -8.356 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.028 7.473 -7.115 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.715 7.802 -7.574 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.383 8.550 -8.487 1.00 0.00 H new ATOM 1067 N GLN A 69 -1.226 7.030 -10.283 1.00 0.00 N ATOM 1068 CA GLN A 69 -2.573 6.880 -10.820 1.00 0.00 C ATOM 1069 C GLN A 69 -2.837 5.437 -11.235 1.00 0.00 C ATOM 1070 O GLN A 69 -3.713 4.772 -10.682 1.00 0.00 O ATOM 1071 CB GLN A 69 -2.774 7.812 -12.017 1.00 0.00 C ATOM 1072 CG GLN A 69 -2.940 9.273 -11.630 1.00 0.00 C ATOM 1073 CD GLN A 69 -4.217 9.529 -10.855 1.00 0.00 C ATOM 1074 OE1 GLN A 69 -4.194 9.236 -9.560 1.00 0.00 O flip ATOM 1075 NE2 GLN A 69 -5.215 9.986 -11.414 1.00 0.00 N flip ATOM 0 H GLN A 69 -0.705 7.820 -10.664 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.281 7.148 -10.036 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.920 7.717 -12.688 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.654 7.490 -12.574 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.086 9.585 -11.029 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.937 9.886 -12.531 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -5.189 10.197 -12.412 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -6.067 10.153 -10.879 1.00 0.00 H new ATOM 1084 N ASP A 70 -2.073 4.958 -12.211 1.00 0.00 N ATOM 1085 CA ASP A 70 -2.224 3.592 -12.700 1.00 0.00 C ATOM 1086 C ASP A 70 -2.417 2.619 -11.541 1.00 0.00 C ATOM 1087 O ASP A 70 -3.424 1.915 -11.470 1.00 0.00 O ATOM 1088 CB ASP A 70 -1.002 3.186 -13.525 1.00 0.00 C ATOM 1089 CG ASP A 70 -1.341 2.173 -14.601 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -2.524 2.100 -14.995 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -0.425 1.452 -15.048 1.00 0.00 O ATOM 0 H ASP A 70 -1.343 5.495 -12.679 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.110 3.554 -13.334 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.569 4.073 -13.988 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -0.243 2.769 -12.863 1.00 0.00 H new ATOM 1096 N ALA A 71 -1.444 2.584 -10.636 1.00 0.00 N ATOM 1097 CA ALA A 71 -1.508 1.698 -9.481 1.00 0.00 C ATOM 1098 C ALA A 71 -2.863 1.796 -8.787 1.00 0.00 C ATOM 1099 O ALA A 71 -3.643 0.844 -8.793 1.00 0.00 O ATOM 1100 CB ALA A 71 -0.388 2.023 -8.503 1.00 0.00 C ATOM 0 H ALA A 71 -0.603 3.159 -10.681 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.383 0.674 -9.833 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.448 1.353 -7.645 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.575 1.894 -8.997 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.488 3.055 -8.166 1.00 0.00 H new ATOM 1106 N GLU A 72 -3.135 2.952 -8.190 1.00 0.00 N ATOM 1107 CA GLU A 72 -4.395 3.172 -7.491 1.00 0.00 C ATOM 1108 C GLU A 72 -5.571 2.649 -8.312 1.00 0.00 C ATOM 1109 O GLU A 72 -6.308 1.770 -7.868 1.00 0.00 O ATOM 1110 CB GLU A 72 -4.587 4.661 -7.197 1.00 0.00 C ATOM 1111 CG GLU A 72 -5.862 4.971 -6.431 1.00 0.00 C ATOM 1112 CD GLU A 72 -6.224 6.443 -6.470 1.00 0.00 C ATOM 1113 OE1 GLU A 72 -6.042 7.071 -7.534 1.00 0.00 O ATOM 1114 OE2 GLU A 72 -6.689 6.967 -5.436 1.00 0.00 O ATOM 0 H GLU A 72 -2.500 3.750 -8.177 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.359 2.624 -6.549 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.733 5.023 -6.625 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.596 5.210 -8.138 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.683 4.388 -6.848 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.743 4.657 -5.394 1.00 0.00 H new ATOM 1121 N ALA A 73 -5.739 3.198 -9.511 1.00 0.00 N ATOM 1122 CA ALA A 73 -6.823 2.787 -10.394 1.00 0.00 C ATOM 1123 C ALA A 73 -7.123 1.300 -10.239 1.00 0.00 C ATOM 1124 O ALA A 73 -8.283 0.892 -10.200 1.00 0.00 O ATOM 1125 CB ALA A 73 -6.477 3.110 -11.840 1.00 0.00 C ATOM 0 H ALA A 73 -5.138 3.928 -9.893 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.718 3.343 -10.113 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.296 2.798 -12.488 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -6.320 4.183 -11.945 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -5.567 2.581 -12.123 1.00 0.00 H new ATOM 1131 N ALA A 74 -6.069 0.494 -10.152 1.00 0.00 N ATOM 1132 CA ALA A 74 -6.221 -0.948 -10.001 1.00 0.00 C ATOM 1133 C ALA A 74 -6.357 -1.334 -8.532 1.00 0.00 C ATOM 1134 O ALA A 74 -7.431 -1.732 -8.082 1.00 0.00 O ATOM 1135 CB ALA A 74 -5.040 -1.671 -10.631 1.00 0.00 C ATOM 0 H ALA A 74 -5.101 0.815 -10.184 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.134 -1.249 -10.515 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.166 -2.747 -10.511 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.988 -1.428 -11.692 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.118 -1.357 -10.142 1.00 0.00 H new ATOM 1141 N MET A 75 -5.262 -1.214 -7.789 1.00 0.00 N ATOM 1142 CA MET A 75 -5.260 -1.551 -6.370 1.00 0.00 C ATOM 1143 C MET A 75 -6.528 -1.042 -5.690 1.00 0.00 C ATOM 1144 O MET A 75 -7.428 -1.820 -5.373 1.00 0.00 O ATOM 1145 CB MET A 75 -4.027 -0.959 -5.685 1.00 0.00 C ATOM 1146 CG MET A 75 -2.818 -1.879 -5.710 1.00 0.00 C ATOM 1147 SD MET A 75 -3.047 -3.354 -4.698 1.00 0.00 S ATOM 1148 CE MET A 75 -2.266 -4.595 -5.728 1.00 0.00 C ATOM 0 H MET A 75 -4.365 -0.886 -8.146 1.00 0.00 H new ATOM 0 HA MET A 75 -5.230 -2.637 -6.279 1.00 0.00 H new ATOM 0 HB2 MET A 75 -3.768 -0.019 -6.171 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.274 -0.725 -4.649 1.00 0.00 H new ATOM 0 HG2 MET A 75 -2.614 -2.177 -6.739 1.00 0.00 H new ATOM 0 HG3 MET A 75 -1.943 -1.333 -5.357 1.00 0.00 H new ATOM 0 HE1 MET A 75 -1.641 -5.240 -5.110 1.00 0.00 H new ATOM 0 HE2 MET A 75 -3.032 -5.195 -6.219 1.00 0.00 H new ATOM 0 HE3 MET A 75 -1.649 -4.106 -6.482 1.00 0.00 H new ATOM 1158 N ASP A 76 -6.590 0.266 -5.468 1.00 0.00 N ATOM 1159 CA ASP A 76 -7.748 0.878 -4.825 1.00 0.00 C ATOM 1160 C ASP A 76 -9.043 0.238 -5.317 1.00 0.00 C ATOM 1161 O ASP A 76 -9.506 0.520 -6.421 1.00 0.00 O ATOM 1162 CB ASP A 76 -7.772 2.383 -5.096 1.00 0.00 C ATOM 1163 CG ASP A 76 -9.180 2.944 -5.116 1.00 0.00 C ATOM 1164 OD1 ASP A 76 -10.006 2.505 -4.289 1.00 0.00 O ATOM 1165 OD2 ASP A 76 -9.457 3.823 -5.959 1.00 0.00 O ATOM 0 H ASP A 76 -5.853 0.923 -5.723 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.667 0.712 -3.751 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -7.190 2.897 -4.331 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.290 2.585 -6.052 1.00 0.00 H new ATOM 1170 N GLY A 77 -9.622 -0.625 -4.488 1.00 0.00 N ATOM 1171 CA GLY A 77 -10.858 -1.292 -4.857 1.00 0.00 C ATOM 1172 C GLY A 77 -10.622 -2.678 -5.424 1.00 0.00 C ATOM 1173 O GLY A 77 -11.430 -3.182 -6.203 1.00 0.00 O ATOM 0 H GLY A 77 -9.258 -0.874 -3.568 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.503 -1.366 -3.981 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.388 -0.687 -5.593 1.00 0.00 H new ATOM 1177 N ALA A 78 -9.511 -3.294 -5.034 1.00 0.00 N ATOM 1178 CA ALA A 78 -9.171 -4.630 -5.509 1.00 0.00 C ATOM 1179 C ALA A 78 -9.436 -5.678 -4.433 1.00 0.00 C ATOM 1180 O ALA A 78 -9.580 -5.350 -3.256 1.00 0.00 O ATOM 1181 CB ALA A 78 -7.716 -4.679 -5.950 1.00 0.00 C ATOM 0 H ALA A 78 -8.831 -2.889 -4.390 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.806 -4.857 -6.365 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.476 -5.682 -6.302 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.556 -3.963 -6.756 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.072 -4.426 -5.108 1.00 0.00 H new ATOM 1187 N GLU A 79 -9.499 -6.940 -4.846 1.00 0.00 N ATOM 1188 CA GLU A 79 -9.747 -8.036 -3.917 1.00 0.00 C ATOM 1189 C GLU A 79 -8.452 -8.767 -3.578 1.00 0.00 C ATOM 1190 O GLU A 79 -7.930 -9.537 -4.386 1.00 0.00 O ATOM 1191 CB GLU A 79 -10.760 -9.018 -4.511 1.00 0.00 C ATOM 1192 CG GLU A 79 -10.991 -10.248 -3.650 1.00 0.00 C ATOM 1193 CD GLU A 79 -12.174 -11.074 -4.118 1.00 0.00 C ATOM 1194 OE1 GLU A 79 -13.317 -10.580 -4.020 1.00 0.00 O ATOM 1195 OE2 GLU A 79 -11.957 -12.213 -4.582 1.00 0.00 O ATOM 0 H GLU A 79 -9.382 -7.228 -5.817 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.156 -7.614 -2.999 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.710 -8.503 -4.657 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.414 -9.333 -5.495 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.094 -10.867 -3.659 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.154 -9.939 -2.618 1.00 0.00 H new ATOM 1202 N LEU A 80 -7.937 -8.520 -2.379 1.00 0.00 N ATOM 1203 CA LEU A 80 -6.701 -9.154 -1.932 1.00 0.00 C ATOM 1204 C LEU A 80 -6.780 -9.518 -0.453 1.00 0.00 C ATOM 1205 O LEU A 80 -7.373 -8.791 0.345 1.00 0.00 O ATOM 1206 CB LEU A 80 -5.510 -8.225 -2.177 1.00 0.00 C ATOM 1207 CG LEU A 80 -5.001 -8.153 -3.617 1.00 0.00 C ATOM 1208 CD1 LEU A 80 -4.094 -6.947 -3.803 1.00 0.00 C ATOM 1209 CD2 LEU A 80 -4.271 -9.435 -3.989 1.00 0.00 C ATOM 0 H LEU A 80 -8.356 -7.886 -1.699 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.564 -10.070 -2.506 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.788 -7.220 -1.860 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.687 -8.545 -1.537 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.859 -8.042 -4.280 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.741 -6.912 -4.834 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.649 -6.036 -3.579 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.240 -7.027 -3.130 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.916 -9.366 -5.017 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.422 -9.577 -3.320 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.952 -10.281 -3.896 1.00 0.00 H new ATOM 1221 N ASP A 81 -6.177 -10.646 -0.093 1.00 0.00 N ATOM 1222 CA ASP A 81 -6.176 -11.105 1.291 1.00 0.00 C ATOM 1223 C ASP A 81 -7.598 -11.186 1.837 1.00 0.00 C ATOM 1224 O ASP A 81 -7.830 -10.974 3.027 1.00 0.00 O ATOM 1225 CB ASP A 81 -5.335 -10.169 2.160 1.00 0.00 C ATOM 1226 CG ASP A 81 -3.881 -10.592 2.227 1.00 0.00 C ATOM 1227 OD1 ASP A 81 -3.609 -11.702 2.731 1.00 0.00 O ATOM 1228 OD2 ASP A 81 -3.015 -9.813 1.776 1.00 0.00 O ATOM 0 H ASP A 81 -5.683 -11.259 -0.741 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.739 -12.103 1.317 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -5.398 -9.156 1.763 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.750 -10.143 3.168 1.00 0.00 H new ATOM 1233 N GLY A 82 -8.548 -11.494 0.959 1.00 0.00 N ATOM 1234 CA GLY A 82 -9.935 -11.596 1.372 1.00 0.00 C ATOM 1235 C GLY A 82 -10.483 -10.283 1.895 1.00 0.00 C ATOM 1236 O GLY A 82 -11.285 -10.265 2.829 1.00 0.00 O ATOM 0 H GLY A 82 -8.381 -11.675 -0.031 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.539 -11.927 0.527 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.025 -12.358 2.146 1.00 0.00 H new ATOM 1240 N ARG A 83 -10.048 -9.181 1.293 1.00 0.00 N ATOM 1241 CA ARG A 83 -10.498 -7.857 1.706 1.00 0.00 C ATOM 1242 C ARG A 83 -10.188 -6.818 0.632 1.00 0.00 C ATOM 1243 O ARG A 83 -9.498 -7.108 -0.344 1.00 0.00 O ATOM 1244 CB ARG A 83 -9.833 -7.457 3.024 1.00 0.00 C ATOM 1245 CG ARG A 83 -10.602 -7.907 4.256 1.00 0.00 C ATOM 1246 CD ARG A 83 -10.319 -7.007 5.449 1.00 0.00 C ATOM 1247 NE ARG A 83 -11.297 -7.192 6.518 1.00 0.00 N ATOM 1248 CZ ARG A 83 -12.527 -6.692 6.482 1.00 0.00 C ATOM 1249 NH1 ARG A 83 -12.928 -5.981 5.437 1.00 0.00 N ATOM 1250 NH2 ARG A 83 -13.360 -6.903 7.494 1.00 0.00 N ATOM 0 H ARG A 83 -9.385 -9.179 0.518 1.00 0.00 H new ATOM 0 HA ARG A 83 -11.578 -7.896 1.849 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.829 -7.881 3.058 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.723 -6.373 3.051 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.671 -7.903 4.041 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -10.330 -8.934 4.501 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.320 -7.216 5.832 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -10.326 -5.966 5.127 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.020 -7.734 7.336 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.291 -5.817 4.657 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -13.873 -5.599 5.413 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -13.056 -7.449 8.300 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -14.304 -6.519 7.466 1.00 0.00 H new ATOM 1264 N GLU A 84 -10.704 -5.607 0.821 1.00 0.00 N ATOM 1265 CA GLU A 84 -10.483 -4.527 -0.133 1.00 0.00 C ATOM 1266 C GLU A 84 -9.379 -3.591 0.351 1.00 0.00 C ATOM 1267 O GLU A 84 -9.605 -2.738 1.210 1.00 0.00 O ATOM 1268 CB GLU A 84 -11.776 -3.738 -0.352 1.00 0.00 C ATOM 1269 CG GLU A 84 -11.848 -3.051 -1.705 1.00 0.00 C ATOM 1270 CD GLU A 84 -13.097 -2.205 -1.864 1.00 0.00 C ATOM 1271 OE1 GLU A 84 -13.406 -1.424 -0.940 1.00 0.00 O ATOM 1272 OE2 GLU A 84 -13.765 -2.324 -2.913 1.00 0.00 O ATOM 0 H GLU A 84 -11.277 -5.350 1.625 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.171 -4.970 -1.079 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.625 -4.414 -0.251 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.871 -2.987 0.433 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.968 -2.421 -1.836 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.821 -3.804 -2.493 1.00 0.00 H new ATOM 1279 N LEU A 85 -8.185 -3.757 -0.207 1.00 0.00 N ATOM 1280 CA LEU A 85 -7.044 -2.929 0.167 1.00 0.00 C ATOM 1281 C LEU A 85 -7.298 -1.465 -0.178 1.00 0.00 C ATOM 1282 O LEU A 85 -7.660 -1.137 -1.308 1.00 0.00 O ATOM 1283 CB LEU A 85 -5.779 -3.419 -0.539 1.00 0.00 C ATOM 1284 CG LEU A 85 -5.336 -4.846 -0.209 1.00 0.00 C ATOM 1285 CD1 LEU A 85 -4.140 -5.243 -1.060 1.00 0.00 C ATOM 1286 CD2 LEU A 85 -5.007 -4.973 1.271 1.00 0.00 C ATOM 0 H LEU A 85 -7.982 -4.457 -0.920 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.905 -3.011 1.245 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.937 -3.349 -1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.963 -2.740 -0.292 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.158 -5.524 -0.437 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.839 -6.261 -0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.411 -5.192 -2.115 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.312 -4.562 -0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.694 -5.994 1.488 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.201 -4.285 1.525 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.890 -4.731 1.862 1.00 0.00 H new ATOM 1298 N ARG A 86 -7.103 -0.589 0.802 1.00 0.00 N ATOM 1299 CA ARG A 86 -7.310 0.840 0.601 1.00 0.00 C ATOM 1300 C ARG A 86 -6.027 1.513 0.120 1.00 0.00 C ATOM 1301 O ARG A 86 -5.290 2.104 0.910 1.00 0.00 O ATOM 1302 CB ARG A 86 -7.786 1.496 1.899 1.00 0.00 C ATOM 1303 CG ARG A 86 -9.298 1.501 2.060 1.00 0.00 C ATOM 1304 CD ARG A 86 -9.795 0.211 2.694 1.00 0.00 C ATOM 1305 NE ARG A 86 -11.046 0.405 3.421 1.00 0.00 N ATOM 1306 CZ ARG A 86 -11.519 -0.458 4.313 1.00 0.00 C ATOM 1307 NH1 ARG A 86 -10.849 -1.569 4.585 1.00 0.00 N ATOM 1308 NH2 ARG A 86 -12.666 -0.211 4.934 1.00 0.00 N ATOM 0 H ARG A 86 -6.802 -0.844 1.743 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.076 0.966 -0.164 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -7.341 0.973 2.745 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -7.422 2.523 1.932 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -9.597 2.349 2.676 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -9.768 1.634 1.086 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -9.939 -0.542 1.919 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -9.036 -0.174 3.375 1.00 0.00 H new ATOM 0 HE ARG A 86 -11.586 1.250 3.234 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -9.968 -1.763 4.109 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -11.214 -2.230 5.270 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -13.185 0.642 4.726 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -13.028 -0.874 5.619 1.00 0.00 H new ATOM 1322 N VAL A 87 -5.767 1.418 -1.180 1.00 0.00 N ATOM 1323 CA VAL A 87 -4.575 2.018 -1.766 1.00 0.00 C ATOM 1324 C VAL A 87 -4.908 3.327 -2.473 1.00 0.00 C ATOM 1325 O VAL A 87 -5.032 3.368 -3.697 1.00 0.00 O ATOM 1326 CB VAL A 87 -3.902 1.062 -2.770 1.00 0.00 C ATOM 1327 CG1 VAL A 87 -2.478 1.511 -3.063 1.00 0.00 C ATOM 1328 CG2 VAL A 87 -3.923 -0.365 -2.242 1.00 0.00 C ATOM 0 H VAL A 87 -6.366 0.931 -1.847 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.885 2.217 -0.946 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.464 1.088 -3.703 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.019 0.824 -3.774 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.493 2.515 -3.487 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.901 1.516 -2.139 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.444 -1.027 -2.963 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -3.385 -0.410 -1.295 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.955 -0.681 -2.089 1.00 0.00 H new ATOM 1338 N GLN A 88 -5.051 4.394 -1.694 1.00 0.00 N ATOM 1339 CA GLN A 88 -5.371 5.705 -2.246 1.00 0.00 C ATOM 1340 C GLN A 88 -4.239 6.694 -1.989 1.00 0.00 C ATOM 1341 O GLN A 88 -3.220 6.346 -1.392 1.00 0.00 O ATOM 1342 CB GLN A 88 -6.673 6.233 -1.641 1.00 0.00 C ATOM 1343 CG GLN A 88 -7.888 5.383 -1.975 1.00 0.00 C ATOM 1344 CD GLN A 88 -9.073 5.680 -1.078 1.00 0.00 C ATOM 1345 OE1 GLN A 88 -8.915 5.917 0.120 1.00 0.00 O ATOM 1346 NE2 GLN A 88 -10.269 5.668 -1.654 1.00 0.00 N ATOM 0 H GLN A 88 -4.950 4.377 -0.679 1.00 0.00 H new ATOM 0 HA GLN A 88 -5.497 5.597 -3.323 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -6.565 6.287 -0.558 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -6.843 7.250 -1.996 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -8.172 5.554 -3.013 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -7.625 4.329 -1.886 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -10.353 5.467 -2.650 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -11.104 5.860 -1.100 1.00 0.00 H new ATOM 1355 N VAL A 89 -4.424 7.929 -2.444 1.00 0.00 N ATOM 1356 CA VAL A 89 -3.419 8.970 -2.263 1.00 0.00 C ATOM 1357 C VAL A 89 -3.417 9.488 -0.829 1.00 0.00 C ATOM 1358 O VAL A 89 -4.444 9.475 -0.152 1.00 0.00 O ATOM 1359 CB VAL A 89 -3.654 10.150 -3.224 1.00 0.00 C ATOM 1360 CG1 VAL A 89 -2.568 11.202 -3.053 1.00 0.00 C ATOM 1361 CG2 VAL A 89 -3.713 9.662 -4.663 1.00 0.00 C ATOM 0 H VAL A 89 -5.261 8.233 -2.941 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.452 8.519 -2.484 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.613 10.609 -2.981 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.750 12.028 -3.740 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.579 11.573 -2.028 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.595 10.759 -3.268 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.880 10.509 -5.328 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.772 9.177 -4.922 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.530 8.949 -4.772 1.00 0.00 H new