USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=9 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 : amide:sc= -0.772 X(o=-0.77,f=-0.88) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.32 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 75:sc= 0.126 USER MOD Single : A 26 SER OG : rot 180:sc= 0 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 : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.135 X(o=-0.14,f=0) USER MOD Single : A 75 MET CE :methyl -159:sc= -4.77! (180deg=-5.95!) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 144 N ILE A 14 4.751 12.468 -4.983 1.00 0.00 N ATOM 145 CA ILE A 14 3.460 11.842 -4.727 1.00 0.00 C ATOM 146 C ILE A 14 3.581 10.737 -3.683 1.00 0.00 C ATOM 147 O ILE A 14 4.474 9.893 -3.757 1.00 0.00 O ATOM 148 CB ILE A 14 2.855 11.252 -6.015 1.00 0.00 C ATOM 149 CG1 ILE A 14 2.670 12.349 -7.066 1.00 0.00 C ATOM 150 CG2 ILE A 14 1.529 10.571 -5.714 1.00 0.00 C ATOM 151 CD1 ILE A 14 1.725 13.448 -6.634 1.00 0.00 C ATOM 0 HA ILE A 14 2.800 12.623 -4.350 1.00 0.00 H new ATOM 0 HB ILE A 14 3.542 10.505 -6.413 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.641 12.786 -7.297 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.295 11.900 -7.986 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.114 10.159 -6.634 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.688 9.767 -4.996 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.833 11.298 -5.296 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.643 14.190 -7.428 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.742 13.023 -6.431 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.109 13.924 -5.731 1.00 0.00 H new ATOM 163 N THR A 15 2.674 10.747 -2.711 1.00 0.00 N ATOM 164 CA THR A 15 2.678 9.746 -1.652 1.00 0.00 C ATOM 165 C THR A 15 1.351 8.998 -1.597 1.00 0.00 C ATOM 166 O THR A 15 0.304 9.590 -1.333 1.00 0.00 O ATOM 167 CB THR A 15 2.953 10.384 -0.277 1.00 0.00 C ATOM 168 OG1 THR A 15 4.166 11.143 -0.322 1.00 0.00 O ATOM 169 CG2 THR A 15 3.056 9.317 0.803 1.00 0.00 C ATOM 0 H THR A 15 1.927 11.438 -2.636 1.00 0.00 H new ATOM 0 HA THR A 15 3.478 9.043 -1.884 1.00 0.00 H new ATOM 0 HB THR A 15 2.121 11.045 -0.035 1.00 0.00 H new ATOM 0 HG1 THR A 15 4.332 11.546 0.556 1.00 0.00 H new ATOM 0 HG21 THR A 15 3.250 9.791 1.765 1.00 0.00 H new ATOM 0 HG22 THR A 15 2.120 8.760 0.855 1.00 0.00 H new ATOM 0 HG23 THR A 15 3.871 8.634 0.563 1.00 0.00 H new ATOM 177 N LEU A 16 1.401 7.694 -1.848 1.00 0.00 N ATOM 178 CA LEU A 16 0.202 6.865 -1.826 1.00 0.00 C ATOM 179 C LEU A 16 0.056 6.153 -0.484 1.00 0.00 C ATOM 180 O LEU A 16 1.020 5.599 0.045 1.00 0.00 O ATOM 181 CB LEU A 16 0.247 5.837 -2.958 1.00 0.00 C ATOM 182 CG LEU A 16 -0.141 6.350 -4.346 1.00 0.00 C ATOM 183 CD1 LEU A 16 0.171 5.307 -5.407 1.00 0.00 C ATOM 184 CD2 LEU A 16 -1.615 6.726 -4.382 1.00 0.00 C ATOM 0 H LEU A 16 2.259 7.189 -2.069 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.661 7.515 -1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.257 5.430 -3.012 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.416 5.012 -2.699 1.00 0.00 H new ATOM 0 HG LEU A 16 0.447 7.243 -4.560 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.112 5.690 -6.388 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.238 5.086 -5.398 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.390 4.396 -5.198 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.874 7.089 -5.377 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.220 5.850 -4.147 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.809 7.509 -3.649 1.00 0.00 H new ATOM 196 N LYS A 17 -1.156 6.170 0.060 1.00 0.00 N ATOM 197 CA LYS A 17 -1.430 5.524 1.338 1.00 0.00 C ATOM 198 C LYS A 17 -2.041 4.142 1.129 1.00 0.00 C ATOM 199 O LYS A 17 -3.047 3.995 0.435 1.00 0.00 O ATOM 200 CB LYS A 17 -2.374 6.389 2.178 1.00 0.00 C ATOM 201 CG LYS A 17 -2.688 5.798 3.541 1.00 0.00 C ATOM 202 CD LYS A 17 -3.558 6.731 4.366 1.00 0.00 C ATOM 203 CE LYS A 17 -4.057 6.054 5.633 1.00 0.00 C ATOM 204 NZ LYS A 17 -5.196 6.792 6.246 1.00 0.00 N ATOM 0 H LYS A 17 -1.965 6.624 -0.365 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.485 5.408 1.868 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.928 7.374 2.312 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.305 6.533 1.630 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.196 4.842 3.416 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.759 5.598 4.075 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.989 7.623 4.629 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.409 7.060 3.769 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.367 5.035 5.402 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.241 5.983 6.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.507 6.298 7.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.893 7.757 6.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.985 6.837 5.569 1.00 0.00 H new ATOM 218 N VAL A 18 -1.427 3.131 1.735 1.00 0.00 N ATOM 219 CA VAL A 18 -1.912 1.761 1.618 1.00 0.00 C ATOM 220 C VAL A 18 -2.391 1.230 2.964 1.00 0.00 C ATOM 221 O VAL A 18 -1.665 1.281 3.957 1.00 0.00 O ATOM 222 CB VAL A 18 -0.820 0.824 1.068 1.00 0.00 C ATOM 223 CG1 VAL A 18 -1.397 -0.551 0.768 1.00 0.00 C ATOM 224 CG2 VAL A 18 -0.180 1.425 -0.175 1.00 0.00 C ATOM 0 H VAL A 18 -0.592 3.235 2.312 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.749 1.781 0.920 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.047 0.709 1.828 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.611 -1.199 0.380 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.804 -0.982 1.682 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.190 -0.459 0.026 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.589 0.750 -0.551 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.941 1.571 -0.942 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.271 2.385 0.076 1.00 0.00 H new ATOM 234 N ASP A 19 -3.617 0.720 2.990 1.00 0.00 N ATOM 235 CA ASP A 19 -4.193 0.177 4.215 1.00 0.00 C ATOM 236 C ASP A 19 -4.493 -1.311 4.062 1.00 0.00 C ATOM 237 O ASP A 19 -4.230 -1.902 3.016 1.00 0.00 O ATOM 238 CB ASP A 19 -5.472 0.933 4.581 1.00 0.00 C ATOM 239 CG ASP A 19 -5.767 0.886 6.067 1.00 0.00 C ATOM 240 OD1 ASP A 19 -4.806 0.809 6.861 1.00 0.00 O ATOM 241 OD2 ASP A 19 -6.959 0.927 6.436 1.00 0.00 O ATOM 0 H ASP A 19 -4.231 0.671 2.177 1.00 0.00 H new ATOM 0 HA ASP A 19 -3.464 0.302 5.016 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.380 1.972 4.265 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.312 0.506 4.033 1.00 0.00 H new ATOM 246 N ASN A 20 -5.044 -1.910 5.113 1.00 0.00 N ATOM 247 CA ASN A 20 -5.377 -3.329 5.095 1.00 0.00 C ATOM 248 C ASN A 20 -4.124 -4.181 4.915 1.00 0.00 C ATOM 249 O ASN A 20 -4.101 -5.107 4.104 1.00 0.00 O ATOM 250 CB ASN A 20 -6.375 -3.626 3.974 1.00 0.00 C ATOM 251 CG ASN A 20 -7.815 -3.469 4.424 1.00 0.00 C ATOM 252 OD1 ASN A 20 -8.098 -2.785 5.408 1.00 0.00 O ATOM 253 ND2 ASN A 20 -8.732 -4.104 3.703 1.00 0.00 N ATOM 0 H ASN A 20 -5.269 -1.435 5.987 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.831 -3.582 6.053 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.185 -2.957 3.135 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.219 -4.642 3.613 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -9.718 -4.036 3.957 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -8.451 -4.660 2.895 1.00 0.00 H new ATOM 260 N LEU A 21 -3.084 -3.861 5.678 1.00 0.00 N ATOM 261 CA LEU A 21 -1.827 -4.597 5.604 1.00 0.00 C ATOM 262 C LEU A 21 -1.636 -5.474 6.837 1.00 0.00 C ATOM 263 O LEU A 21 -1.460 -4.972 7.948 1.00 0.00 O ATOM 264 CB LEU A 21 -0.653 -3.626 5.467 1.00 0.00 C ATOM 265 CG LEU A 21 -0.623 -2.784 4.191 1.00 0.00 C ATOM 266 CD1 LEU A 21 0.279 -1.573 4.372 1.00 0.00 C ATOM 267 CD2 LEU A 21 -0.162 -3.623 3.009 1.00 0.00 C ATOM 0 H LEU A 21 -3.087 -3.097 6.354 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.862 -5.241 4.725 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.664 -2.951 6.323 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.273 -4.197 5.523 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.634 -2.431 3.988 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.288 -0.986 3.454 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.095 -0.960 5.192 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.292 -1.905 4.601 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.147 -3.007 2.110 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.840 -4.006 3.203 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.848 -4.458 2.866 1.00 0.00 H new ATOM 279 N THR A 22 -1.669 -6.787 6.634 1.00 0.00 N ATOM 280 CA THR A 22 -1.498 -7.734 7.729 1.00 0.00 C ATOM 281 C THR A 22 -0.030 -7.864 8.120 1.00 0.00 C ATOM 282 O THR A 22 0.863 -7.567 7.326 1.00 0.00 O ATOM 283 CB THR A 22 -2.043 -9.126 7.357 1.00 0.00 C ATOM 284 OG1 THR A 22 -1.560 -10.105 8.284 1.00 0.00 O ATOM 285 CG2 THR A 22 -1.629 -9.510 5.945 1.00 0.00 C ATOM 0 H THR A 22 -1.813 -7.219 5.721 1.00 0.00 H new ATOM 0 HA THR A 22 -2.063 -7.344 8.575 1.00 0.00 H new ATOM 0 HB THR A 22 -3.131 -9.089 7.402 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.912 -10.987 8.041 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.026 -10.497 5.705 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.023 -8.779 5.239 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.541 -9.530 5.877 1.00 0.00 H new ATOM 293 N TYR A 23 0.212 -8.308 9.348 1.00 0.00 N ATOM 294 CA TYR A 23 1.573 -8.475 9.845 1.00 0.00 C ATOM 295 C TYR A 23 2.506 -8.945 8.733 1.00 0.00 C ATOM 296 O TYR A 23 3.549 -8.340 8.486 1.00 0.00 O ATOM 297 CB TYR A 23 1.596 -9.476 11.002 1.00 0.00 C ATOM 298 CG TYR A 23 1.446 -10.915 10.561 1.00 0.00 C ATOM 299 CD1 TYR A 23 0.189 -11.479 10.382 1.00 0.00 C ATOM 300 CD2 TYR A 23 2.561 -11.709 10.323 1.00 0.00 C ATOM 301 CE1 TYR A 23 0.047 -12.793 9.981 1.00 0.00 C ATOM 302 CE2 TYR A 23 2.428 -13.023 9.919 1.00 0.00 C ATOM 303 CZ TYR A 23 1.169 -13.561 9.750 1.00 0.00 C ATOM 304 OH TYR A 23 1.032 -14.870 9.348 1.00 0.00 O ATOM 0 H TYR A 23 -0.516 -8.559 10.017 1.00 0.00 H new ATOM 0 HA TYR A 23 1.923 -7.507 10.203 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.534 -9.368 11.547 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.793 -9.233 11.698 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -0.692 -10.880 10.559 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.548 -11.292 10.456 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -0.938 -13.217 9.849 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.305 -13.626 9.736 1.00 0.00 H new ATOM 0 HH TYR A 23 1.919 -15.270 9.228 1.00 0.00 H new ATOM 314 N ARG A 24 2.121 -10.027 8.065 1.00 0.00 N ATOM 315 CA ARG A 24 2.922 -10.579 6.979 1.00 0.00 C ATOM 316 C ARG A 24 3.517 -9.466 6.121 1.00 0.00 C ATOM 317 O ARG A 24 4.701 -9.493 5.782 1.00 0.00 O ATOM 318 CB ARG A 24 2.071 -11.507 6.110 1.00 0.00 C ATOM 319 CG ARG A 24 2.045 -12.946 6.600 1.00 0.00 C ATOM 320 CD ARG A 24 1.872 -13.924 5.448 1.00 0.00 C ATOM 321 NE ARG A 24 3.155 -14.350 4.895 1.00 0.00 N ATOM 322 CZ ARG A 24 3.282 -15.316 3.993 1.00 0.00 C ATOM 323 NH1 ARG A 24 2.209 -15.952 3.543 1.00 0.00 N ATOM 324 NH2 ARG A 24 4.484 -15.647 3.537 1.00 0.00 N ATOM 0 H ARG A 24 1.260 -10.539 8.256 1.00 0.00 H new ATOM 0 HA ARG A 24 3.739 -11.151 7.419 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.051 -11.125 6.076 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.453 -11.486 5.089 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.971 -13.168 7.131 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.230 -13.074 7.313 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.318 -14.797 5.794 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.276 -13.458 4.663 1.00 0.00 H new ATOM 0 HE ARG A 24 4.000 -13.880 5.220 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.284 -15.699 3.890 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.309 -16.694 2.850 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.312 -15.159 3.880 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.580 -16.389 2.844 1.00 0.00 H new ATOM 338 N THR A 25 2.688 -8.486 5.774 1.00 0.00 N ATOM 339 CA THR A 25 3.131 -7.365 4.955 1.00 0.00 C ATOM 340 C THR A 25 4.546 -6.937 5.328 1.00 0.00 C ATOM 341 O THR A 25 4.946 -7.026 6.488 1.00 0.00 O ATOM 342 CB THR A 25 2.187 -6.156 5.101 1.00 0.00 C ATOM 343 OG1 THR A 25 0.889 -6.484 4.591 1.00 0.00 O ATOM 344 CG2 THR A 25 2.737 -4.947 4.360 1.00 0.00 C ATOM 0 H THR A 25 1.706 -8.446 6.048 1.00 0.00 H new ATOM 0 HA THR A 25 3.118 -7.705 3.920 1.00 0.00 H new ATOM 0 HB THR A 25 2.110 -5.909 6.160 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.427 -7.071 5.226 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.053 -4.106 4.478 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.712 -4.682 4.769 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.840 -5.185 3.301 1.00 0.00 H new ATOM 352 N SER A 26 5.299 -6.472 4.336 1.00 0.00 N ATOM 353 CA SER A 26 6.671 -6.034 4.559 1.00 0.00 C ATOM 354 C SER A 26 7.111 -5.054 3.475 1.00 0.00 C ATOM 355 O SER A 26 6.585 -5.041 2.363 1.00 0.00 O ATOM 356 CB SER A 26 7.616 -7.237 4.588 1.00 0.00 C ATOM 357 OG SER A 26 7.876 -7.713 3.279 1.00 0.00 O ATOM 0 H SER A 26 4.982 -6.389 3.370 1.00 0.00 H new ATOM 0 HA SER A 26 6.711 -5.526 5.523 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.553 -6.956 5.069 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.177 -8.034 5.188 1.00 0.00 H new ATOM 0 HG SER A 26 8.484 -8.481 3.325 1.00 0.00 H new ATOM 363 N PRO A 27 8.101 -4.212 3.807 1.00 0.00 N ATOM 364 CA PRO A 27 8.636 -3.212 2.877 1.00 0.00 C ATOM 365 C PRO A 27 8.860 -3.781 1.481 1.00 0.00 C ATOM 366 O PRO A 27 8.657 -3.094 0.480 1.00 0.00 O ATOM 367 CB PRO A 27 9.970 -2.814 3.513 1.00 0.00 C ATOM 368 CG PRO A 27 9.780 -3.048 4.972 1.00 0.00 C ATOM 369 CD PRO A 27 8.776 -4.171 5.116 1.00 0.00 C ATOM 0 HA PRO A 27 7.949 -2.377 2.737 1.00 0.00 H new ATOM 0 HB2 PRO A 27 10.791 -3.414 3.120 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.211 -1.771 3.308 1.00 0.00 H new ATOM 0 HG2 PRO A 27 10.725 -3.313 5.446 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.420 -2.144 5.463 1.00 0.00 H new ATOM 0 HD2 PRO A 27 9.266 -5.118 5.343 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.071 -3.975 5.923 1.00 0.00 H new ATOM 377 N ASP A 28 9.278 -5.041 1.420 1.00 0.00 N ATOM 378 CA ASP A 28 9.528 -5.703 0.145 1.00 0.00 C ATOM 379 C ASP A 28 8.225 -5.923 -0.618 1.00 0.00 C ATOM 380 O ASP A 28 8.017 -5.351 -1.687 1.00 0.00 O ATOM 381 CB ASP A 28 10.233 -7.041 0.371 1.00 0.00 C ATOM 382 CG ASP A 28 10.814 -7.613 -0.907 1.00 0.00 C ATOM 383 OD1 ASP A 28 11.269 -6.820 -1.759 1.00 0.00 O ATOM 384 OD2 ASP A 28 10.816 -8.852 -1.056 1.00 0.00 O ATOM 0 H ASP A 28 9.451 -5.624 2.239 1.00 0.00 H new ATOM 0 HA ASP A 28 10.173 -5.057 -0.451 1.00 0.00 H new ATOM 0 HB2 ASP A 28 11.031 -6.909 1.102 1.00 0.00 H new ATOM 0 HB3 ASP A 28 9.526 -7.754 0.796 1.00 0.00 H new ATOM 389 N SER A 29 7.353 -6.757 -0.060 1.00 0.00 N ATOM 390 CA SER A 29 6.072 -7.057 -0.690 1.00 0.00 C ATOM 391 C SER A 29 5.321 -5.773 -1.030 1.00 0.00 C ATOM 392 O SER A 29 4.749 -5.643 -2.113 1.00 0.00 O ATOM 393 CB SER A 29 5.220 -7.932 0.230 1.00 0.00 C ATOM 394 OG SER A 29 5.699 -9.265 0.254 1.00 0.00 O ATOM 0 H SER A 29 7.510 -7.237 0.826 1.00 0.00 H new ATOM 0 HA SER A 29 6.267 -7.599 -1.615 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.230 -7.521 1.239 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.184 -7.921 -0.109 1.00 0.00 H new ATOM 0 HG SER A 29 5.138 -9.803 0.851 1.00 0.00 H new ATOM 400 N LEU A 30 5.326 -4.828 -0.097 1.00 0.00 N ATOM 401 CA LEU A 30 4.645 -3.553 -0.296 1.00 0.00 C ATOM 402 C LEU A 30 5.290 -2.762 -1.430 1.00 0.00 C ATOM 403 O LEU A 30 4.607 -2.063 -2.179 1.00 0.00 O ATOM 404 CB LEU A 30 4.671 -2.731 0.994 1.00 0.00 C ATOM 405 CG LEU A 30 3.818 -1.462 0.999 1.00 0.00 C ATOM 406 CD1 LEU A 30 2.352 -1.803 0.779 1.00 0.00 C ATOM 407 CD2 LEU A 30 4.001 -0.702 2.304 1.00 0.00 C ATOM 0 H LEU A 30 5.794 -4.920 0.805 1.00 0.00 H new ATOM 0 HA LEU A 30 3.610 -3.761 -0.566 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.342 -3.369 1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.704 -2.451 1.202 1.00 0.00 H new ATOM 0 HG LEU A 30 4.147 -0.822 0.180 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.761 -0.887 0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.235 -2.303 -0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.008 -2.463 1.576 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.387 0.198 2.290 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.699 -1.334 3.139 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.049 -0.424 2.420 1.00 0.00 H new ATOM 419 N ARG A 31 6.608 -2.879 -1.550 1.00 0.00 N ATOM 420 CA ARG A 31 7.345 -2.175 -2.593 1.00 0.00 C ATOM 421 C ARG A 31 6.976 -2.708 -3.974 1.00 0.00 C ATOM 422 O ARG A 31 6.868 -1.947 -4.935 1.00 0.00 O ATOM 423 CB ARG A 31 8.852 -2.316 -2.366 1.00 0.00 C ATOM 424 CG ARG A 31 9.678 -2.132 -3.628 1.00 0.00 C ATOM 425 CD ARG A 31 11.162 -2.313 -3.354 1.00 0.00 C ATOM 426 NE ARG A 31 11.690 -1.266 -2.482 1.00 0.00 N ATOM 427 CZ ARG A 31 12.919 -1.280 -1.978 1.00 0.00 C ATOM 428 NH1 ARG A 31 13.743 -2.281 -2.258 1.00 0.00 N ATOM 429 NH2 ARG A 31 13.326 -0.291 -1.193 1.00 0.00 N ATOM 0 H ARG A 31 7.187 -3.454 -0.939 1.00 0.00 H new ATOM 0 HA ARG A 31 7.074 -1.120 -2.545 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.169 -1.583 -1.624 1.00 0.00 H new ATOM 0 HB3 ARG A 31 9.057 -3.302 -1.948 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.356 -2.850 -4.383 1.00 0.00 H new ATOM 0 HG3 ARG A 31 9.501 -1.138 -4.038 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.329 -3.287 -2.894 1.00 0.00 H new ATOM 0 HD3 ARG A 31 11.708 -2.308 -4.297 1.00 0.00 H new ATOM 0 HE ARG A 31 11.082 -0.482 -2.248 1.00 0.00 H new ATOM 0 HH11 ARG A 31 13.434 -3.043 -2.862 1.00 0.00 H new ATOM 0 HH12 ARG A 31 14.686 -2.289 -1.870 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.695 0.481 -0.976 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.270 -0.302 -0.806 1.00 0.00 H new ATOM 443 N ARG A 32 6.785 -4.021 -4.064 1.00 0.00 N ATOM 444 CA ARG A 32 6.430 -4.656 -5.327 1.00 0.00 C ATOM 445 C ARG A 32 4.982 -4.352 -5.701 1.00 0.00 C ATOM 446 O ARG A 32 4.633 -4.292 -6.880 1.00 0.00 O ATOM 447 CB ARG A 32 6.638 -6.169 -5.238 1.00 0.00 C ATOM 448 CG ARG A 32 6.426 -6.891 -6.558 1.00 0.00 C ATOM 449 CD ARG A 32 6.871 -8.343 -6.476 1.00 0.00 C ATOM 450 NE ARG A 32 6.104 -9.202 -7.374 1.00 0.00 N ATOM 451 CZ ARG A 32 6.469 -10.438 -7.699 1.00 0.00 C ATOM 452 NH1 ARG A 32 7.584 -10.956 -7.201 1.00 0.00 N ATOM 453 NH2 ARG A 32 5.718 -11.158 -8.523 1.00 0.00 N ATOM 0 H ARG A 32 6.870 -4.665 -3.277 1.00 0.00 H new ATOM 0 HA ARG A 32 7.080 -4.252 -6.103 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.649 -6.368 -4.883 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.953 -6.578 -4.495 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.372 -6.847 -6.833 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.982 -6.383 -7.346 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.930 -8.412 -6.725 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.760 -8.699 -5.452 1.00 0.00 H new ATOM 0 HE ARG A 32 5.241 -8.833 -7.774 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.163 -10.406 -6.567 1.00 0.00 H new ATOM 0 HH12 ARG A 32 7.862 -11.905 -7.452 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.860 -10.763 -8.908 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.999 -12.106 -8.772 1.00 0.00 H new ATOM 467 N VAL A 33 4.143 -4.160 -4.688 1.00 0.00 N ATOM 468 CA VAL A 33 2.733 -3.862 -4.909 1.00 0.00 C ATOM 469 C VAL A 33 2.559 -2.794 -5.983 1.00 0.00 C ATOM 470 O VAL A 33 1.685 -2.900 -6.843 1.00 0.00 O ATOM 471 CB VAL A 33 2.050 -3.387 -3.613 1.00 0.00 C ATOM 472 CG1 VAL A 33 0.741 -2.678 -3.927 1.00 0.00 C ATOM 473 CG2 VAL A 33 1.817 -4.560 -2.673 1.00 0.00 C ATOM 0 H VAL A 33 4.415 -4.206 -3.706 1.00 0.00 H new ATOM 0 HA VAL A 33 2.262 -4.787 -5.241 1.00 0.00 H new ATOM 0 HB VAL A 33 2.710 -2.677 -3.115 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.273 -2.350 -2.999 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.939 -1.813 -4.560 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.072 -3.363 -4.448 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.334 -4.206 -1.762 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.178 -5.296 -3.161 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.773 -5.020 -2.421 1.00 0.00 H new ATOM 483 N PHE A 34 3.398 -1.765 -5.927 1.00 0.00 N ATOM 484 CA PHE A 34 3.337 -0.676 -6.895 1.00 0.00 C ATOM 485 C PHE A 34 4.404 -0.846 -7.973 1.00 0.00 C ATOM 486 O PHE A 34 4.257 -0.349 -9.089 1.00 0.00 O ATOM 487 CB PHE A 34 3.518 0.671 -6.192 1.00 0.00 C ATOM 488 CG PHE A 34 2.436 0.977 -5.195 1.00 0.00 C ATOM 489 CD1 PHE A 34 1.111 1.056 -5.594 1.00 0.00 C ATOM 490 CD2 PHE A 34 2.744 1.185 -3.861 1.00 0.00 C ATOM 491 CE1 PHE A 34 0.113 1.337 -4.680 1.00 0.00 C ATOM 492 CE2 PHE A 34 1.750 1.466 -2.942 1.00 0.00 C ATOM 493 CZ PHE A 34 0.433 1.543 -3.352 1.00 0.00 C ATOM 0 H PHE A 34 4.128 -1.662 -5.222 1.00 0.00 H new ATOM 0 HA PHE A 34 2.357 -0.701 -7.371 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.482 0.680 -5.684 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.545 1.462 -6.941 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.855 0.896 -6.631 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.772 1.127 -3.535 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.916 1.395 -5.004 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.003 1.625 -1.904 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.345 1.764 -2.636 1.00 0.00 H new ATOM 503 N GLU A 35 5.476 -1.552 -7.629 1.00 0.00 N ATOM 504 CA GLU A 35 6.568 -1.787 -8.567 1.00 0.00 C ATOM 505 C GLU A 35 6.044 -2.368 -9.877 1.00 0.00 C ATOM 506 O GLU A 35 6.604 -2.123 -10.946 1.00 0.00 O ATOM 507 CB GLU A 35 7.602 -2.733 -7.954 1.00 0.00 C ATOM 508 CG GLU A 35 8.987 -2.600 -8.565 1.00 0.00 C ATOM 509 CD GLU A 35 9.024 -3.019 -10.022 1.00 0.00 C ATOM 510 OE1 GLU A 35 8.707 -4.192 -10.310 1.00 0.00 O ATOM 511 OE2 GLU A 35 9.369 -2.173 -10.874 1.00 0.00 O ATOM 0 H GLU A 35 5.612 -1.971 -6.709 1.00 0.00 H new ATOM 0 HA GLU A 35 7.043 -0.829 -8.779 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.667 -2.542 -6.883 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.258 -3.760 -8.074 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.320 -1.566 -8.480 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.691 -3.209 -7.998 1.00 0.00 H new ATOM 518 N LYS A 36 4.967 -3.141 -9.786 1.00 0.00 N ATOM 519 CA LYS A 36 4.365 -3.758 -10.962 1.00 0.00 C ATOM 520 C LYS A 36 3.998 -2.703 -12.002 1.00 0.00 C ATOM 521 O LYS A 36 3.883 -3.003 -13.190 1.00 0.00 O ATOM 522 CB LYS A 36 3.120 -4.554 -10.565 1.00 0.00 C ATOM 523 CG LYS A 36 3.404 -5.678 -9.585 1.00 0.00 C ATOM 524 CD LYS A 36 2.142 -6.451 -9.242 1.00 0.00 C ATOM 525 CE LYS A 36 2.229 -7.075 -7.857 1.00 0.00 C ATOM 526 NZ LYS A 36 1.235 -8.170 -7.679 1.00 0.00 N ATOM 0 H LYS A 36 4.493 -3.355 -8.909 1.00 0.00 H new ATOM 0 HA LYS A 36 5.097 -4.436 -11.401 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.390 -3.875 -10.124 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.665 -4.972 -11.463 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.142 -6.356 -10.012 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.839 -5.266 -8.674 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.282 -5.784 -9.288 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.980 -7.232 -9.985 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.234 -7.467 -7.698 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.063 -6.307 -7.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.326 -8.569 -6.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.275 -7.791 -7.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.409 -8.915 -8.383 1.00 0.00 H new ATOM 540 N TYR A 37 3.815 -1.469 -11.547 1.00 0.00 N ATOM 541 CA TYR A 37 3.460 -0.371 -12.437 1.00 0.00 C ATOM 542 C TYR A 37 4.569 0.677 -12.480 1.00 0.00 C ATOM 543 O TYR A 37 5.082 1.011 -13.547 1.00 0.00 O ATOM 544 CB TYR A 37 2.149 0.276 -11.986 1.00 0.00 C ATOM 545 CG TYR A 37 1.103 -0.721 -11.543 1.00 0.00 C ATOM 546 CD1 TYR A 37 1.245 -1.424 -10.352 1.00 0.00 C ATOM 547 CD2 TYR A 37 -0.027 -0.962 -12.314 1.00 0.00 C ATOM 548 CE1 TYR A 37 0.292 -2.337 -9.943 1.00 0.00 C ATOM 549 CE2 TYR A 37 -0.985 -1.872 -11.912 1.00 0.00 C ATOM 550 CZ TYR A 37 -0.821 -2.557 -10.726 1.00 0.00 C ATOM 551 OH TYR A 37 -1.773 -3.465 -10.323 1.00 0.00 O ATOM 0 H TYR A 37 3.907 -1.204 -10.566 1.00 0.00 H new ATOM 0 HA TYR A 37 3.331 -0.778 -13.440 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.356 0.962 -11.165 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.747 0.872 -12.805 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.115 -1.253 -9.736 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.159 -0.429 -13.244 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.418 -2.875 -9.015 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.858 -2.046 -12.523 1.00 0.00 H new ATOM 0 HH TYR A 37 -2.493 -3.500 -10.987 1.00 0.00 H new ATOM 561 N GLY A 38 4.933 1.191 -11.310 1.00 0.00 N ATOM 562 CA GLY A 38 5.979 2.195 -11.234 1.00 0.00 C ATOM 563 C GLY A 38 6.900 1.985 -10.049 1.00 0.00 C ATOM 564 O GLY A 38 6.441 1.734 -8.934 1.00 0.00 O ATOM 0 H GLY A 38 4.523 0.931 -10.413 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.565 2.175 -12.153 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.525 3.184 -11.166 1.00 0.00 H new ATOM 568 N ARG A 39 8.203 2.085 -10.289 1.00 0.00 N ATOM 569 CA ARG A 39 9.191 1.901 -9.232 1.00 0.00 C ATOM 570 C ARG A 39 8.782 2.652 -7.969 1.00 0.00 C ATOM 571 O ARG A 39 8.126 3.692 -8.037 1.00 0.00 O ATOM 572 CB ARG A 39 10.566 2.380 -9.701 1.00 0.00 C ATOM 573 CG ARG A 39 11.236 1.437 -10.686 1.00 0.00 C ATOM 574 CD ARG A 39 12.752 1.532 -10.605 1.00 0.00 C ATOM 575 NE ARG A 39 13.408 0.650 -11.567 1.00 0.00 N ATOM 576 CZ ARG A 39 14.711 0.682 -11.824 1.00 0.00 C ATOM 577 NH1 ARG A 39 15.493 1.547 -11.193 1.00 0.00 N ATOM 578 NH2 ARG A 39 15.234 -0.152 -12.713 1.00 0.00 N ATOM 0 H ARG A 39 8.599 2.292 -11.206 1.00 0.00 H new ATOM 0 HA ARG A 39 9.244 0.837 -9.000 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.461 3.361 -10.164 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.213 2.505 -8.833 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.923 0.413 -10.482 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.909 1.674 -11.698 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.061 2.561 -10.788 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.078 1.275 -9.597 1.00 0.00 H new ATOM 0 HE ARG A 39 12.834 -0.028 -12.069 1.00 0.00 H new ATOM 0 HH11 ARG A 39 15.094 2.190 -10.509 1.00 0.00 H new ATOM 0 HH12 ARG A 39 16.493 1.570 -11.392 1.00 0.00 H new ATOM 0 HH21 ARG A 39 14.636 -0.819 -13.200 1.00 0.00 H new ATOM 0 HH22 ARG A 39 16.235 -0.126 -12.909 1.00 0.00 H new ATOM 592 N VAL A 40 9.173 2.118 -6.816 1.00 0.00 N ATOM 593 CA VAL A 40 8.849 2.738 -5.537 1.00 0.00 C ATOM 594 C VAL A 40 10.028 3.541 -5.000 1.00 0.00 C ATOM 595 O VAL A 40 11.050 2.978 -4.612 1.00 0.00 O ATOM 596 CB VAL A 40 8.440 1.684 -4.490 1.00 0.00 C ATOM 597 CG1 VAL A 40 8.352 2.312 -3.107 1.00 0.00 C ATOM 598 CG2 VAL A 40 7.119 1.036 -4.876 1.00 0.00 C ATOM 0 H VAL A 40 9.715 1.257 -6.742 1.00 0.00 H new ATOM 0 HA VAL A 40 8.008 3.409 -5.715 1.00 0.00 H new ATOM 0 HB VAL A 40 9.205 0.908 -4.462 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.062 1.553 -2.381 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.323 2.725 -2.832 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.608 3.109 -3.116 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.845 0.294 -4.126 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.342 1.799 -4.933 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.222 0.550 -5.846 1.00 0.00 H new ATOM 608 N GLY A 41 9.878 4.862 -4.981 1.00 0.00 N ATOM 609 CA GLY A 41 10.938 5.722 -4.489 1.00 0.00 C ATOM 610 C GLY A 41 11.345 5.387 -3.068 1.00 0.00 C ATOM 611 O GLY A 41 12.534 5.316 -2.756 1.00 0.00 O ATOM 0 H GLY A 41 9.041 5.352 -5.298 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.806 5.634 -5.142 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.609 6.760 -4.534 1.00 0.00 H new ATOM 615 N ASP A 42 10.357 5.181 -2.205 1.00 0.00 N ATOM 616 CA ASP A 42 10.618 4.851 -0.808 1.00 0.00 C ATOM 617 C ASP A 42 9.391 4.216 -0.161 1.00 0.00 C ATOM 618 O ASP A 42 8.257 4.605 -0.442 1.00 0.00 O ATOM 619 CB ASP A 42 11.026 6.105 -0.034 1.00 0.00 C ATOM 620 CG ASP A 42 12.159 6.857 -0.706 1.00 0.00 C ATOM 621 OD1 ASP A 42 11.882 7.629 -1.647 1.00 0.00 O ATOM 622 OD2 ASP A 42 13.322 6.672 -0.290 1.00 0.00 O ATOM 0 H ASP A 42 9.368 5.237 -2.447 1.00 0.00 H new ATOM 0 HA ASP A 42 11.436 4.131 -0.777 1.00 0.00 H new ATOM 0 HB2 ASP A 42 10.164 6.765 0.064 1.00 0.00 H new ATOM 0 HB3 ASP A 42 11.328 5.824 0.975 1.00 0.00 H new ATOM 627 N VAL A 43 9.625 3.236 0.705 1.00 0.00 N ATOM 628 CA VAL A 43 8.540 2.547 1.392 1.00 0.00 C ATOM 629 C VAL A 43 8.620 2.761 2.900 1.00 0.00 C ATOM 630 O VAL A 43 9.630 2.446 3.529 1.00 0.00 O ATOM 631 CB VAL A 43 8.560 1.035 1.098 1.00 0.00 C ATOM 632 CG1 VAL A 43 7.203 0.415 1.396 1.00 0.00 C ATOM 633 CG2 VAL A 43 8.967 0.779 -0.345 1.00 0.00 C ATOM 0 H VAL A 43 10.557 2.901 0.948 1.00 0.00 H new ATOM 0 HA VAL A 43 7.609 2.971 1.017 1.00 0.00 H new ATOM 0 HB VAL A 43 9.298 0.565 1.749 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.236 -0.653 1.182 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.956 0.567 2.447 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.443 0.886 0.773 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.976 -0.294 -0.536 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.255 1.261 -1.015 1.00 0.00 H new ATOM 0 HG23 VAL A 43 9.963 1.187 -0.520 1.00 0.00 H new ATOM 643 N TYR A 44 7.548 3.298 3.473 1.00 0.00 N ATOM 644 CA TYR A 44 7.497 3.557 4.907 1.00 0.00 C ATOM 645 C TYR A 44 6.296 2.864 5.543 1.00 0.00 C ATOM 646 O TYR A 44 5.171 2.974 5.053 1.00 0.00 O ATOM 647 CB TYR A 44 7.432 5.062 5.173 1.00 0.00 C ATOM 648 CG TYR A 44 7.653 5.430 6.622 1.00 0.00 C ATOM 649 CD1 TYR A 44 6.797 4.970 7.615 1.00 0.00 C ATOM 650 CD2 TYR A 44 8.719 6.239 6.999 1.00 0.00 C ATOM 651 CE1 TYR A 44 6.995 5.305 8.941 1.00 0.00 C ATOM 652 CE2 TYR A 44 8.925 6.578 8.322 1.00 0.00 C ATOM 653 CZ TYR A 44 8.061 6.109 9.289 1.00 0.00 C ATOM 654 OH TYR A 44 8.262 6.444 10.609 1.00 0.00 O ATOM 0 H TYR A 44 6.703 3.562 2.966 1.00 0.00 H new ATOM 0 HA TYR A 44 8.405 3.155 5.356 1.00 0.00 H new ATOM 0 HB2 TYR A 44 8.182 5.563 4.561 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.459 5.437 4.856 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.962 4.340 7.346 1.00 0.00 H new ATOM 0 HD2 TYR A 44 9.398 6.609 6.244 1.00 0.00 H new ATOM 0 HE1 TYR A 44 6.319 4.940 9.700 1.00 0.00 H new ATOM 0 HE2 TYR A 44 9.758 7.207 8.598 1.00 0.00 H new ATOM 0 HH TYR A 44 9.055 7.014 10.685 1.00 0.00 H new ATOM 664 N ILE A 45 6.543 2.151 6.636 1.00 0.00 N ATOM 665 CA ILE A 45 5.482 1.442 7.341 1.00 0.00 C ATOM 666 C ILE A 45 5.479 1.792 8.825 1.00 0.00 C ATOM 667 O ILE A 45 6.273 1.277 9.612 1.00 0.00 O ATOM 668 CB ILE A 45 5.626 -0.083 7.186 1.00 0.00 C ATOM 669 CG1 ILE A 45 5.666 -0.466 5.705 1.00 0.00 C ATOM 670 CG2 ILE A 45 4.483 -0.797 7.892 1.00 0.00 C ATOM 671 CD1 ILE A 45 6.238 -1.843 5.451 1.00 0.00 C ATOM 0 H ILE A 45 7.468 2.049 7.053 1.00 0.00 H new ATOM 0 HA ILE A 45 4.540 1.758 6.894 1.00 0.00 H new ATOM 0 HB ILE A 45 6.563 -0.393 7.648 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.655 -0.421 5.299 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.260 0.271 5.164 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.599 -1.874 7.774 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.496 -0.545 8.952 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.534 -0.484 7.457 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.235 -2.046 4.380 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.261 -1.887 5.826 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.631 -2.589 5.964 1.00 0.00 H new ATOM 683 N PRO A 46 4.562 2.689 9.219 1.00 0.00 N ATOM 684 CA PRO A 46 4.430 3.126 10.612 1.00 0.00 C ATOM 685 C PRO A 46 4.316 1.954 11.580 1.00 0.00 C ATOM 686 O PRO A 46 3.432 1.108 11.444 1.00 0.00 O ATOM 687 CB PRO A 46 3.136 3.943 10.606 1.00 0.00 C ATOM 688 CG PRO A 46 3.005 4.436 9.207 1.00 0.00 C ATOM 689 CD PRO A 46 3.583 3.343 8.335 1.00 0.00 C ATOM 0 HA PRO A 46 5.303 3.686 10.947 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.280 3.331 10.892 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.187 4.770 11.314 1.00 0.00 H new ATOM 0 HG2 PRO A 46 1.962 4.628 8.955 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.544 5.373 9.070 1.00 0.00 H new ATOM 0 HD2 PRO A 46 2.814 2.646 8.000 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.056 3.749 7.441 1.00 0.00 H new ATOM 851 N GLY A 56 -1.219 -1.080 10.181 1.00 0.00 N ATOM 852 CA GLY A 56 -1.984 -1.526 9.031 1.00 0.00 C ATOM 853 C GLY A 56 -1.831 -0.602 7.839 1.00 0.00 C ATOM 854 O GLY A 56 -1.734 -1.058 6.700 1.00 0.00 O ATOM 0 HA2 GLY A 56 -1.663 -2.530 8.752 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.038 -1.592 9.303 1.00 0.00 H new ATOM 858 N PHE A 57 -1.809 0.701 8.101 1.00 0.00 N ATOM 859 CA PHE A 57 -1.669 1.692 7.041 1.00 0.00 C ATOM 860 C PHE A 57 -0.201 2.040 6.812 1.00 0.00 C ATOM 861 O PHE A 57 0.623 1.927 7.719 1.00 0.00 O ATOM 862 CB PHE A 57 -2.457 2.957 7.388 1.00 0.00 C ATOM 863 CG PHE A 57 -2.060 3.568 8.702 1.00 0.00 C ATOM 864 CD1 PHE A 57 -0.869 4.264 8.825 1.00 0.00 C ATOM 865 CD2 PHE A 57 -2.879 3.445 9.813 1.00 0.00 C ATOM 866 CE1 PHE A 57 -0.501 4.828 10.033 1.00 0.00 C ATOM 867 CE2 PHE A 57 -2.517 4.008 11.022 1.00 0.00 C ATOM 868 CZ PHE A 57 -1.326 4.698 11.133 1.00 0.00 C ATOM 0 H PHE A 57 -1.886 1.095 9.039 1.00 0.00 H new ATOM 0 HA PHE A 57 -2.070 1.264 6.123 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.315 3.693 6.596 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -3.520 2.718 7.414 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.220 4.368 7.968 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.810 2.903 9.733 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.430 5.369 10.116 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.165 3.908 11.880 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.040 5.135 12.078 1.00 0.00 H new ATOM 878 N ALA A 58 0.117 2.462 5.593 1.00 0.00 N ATOM 879 CA ALA A 58 1.485 2.828 5.244 1.00 0.00 C ATOM 880 C ALA A 58 1.506 3.929 4.189 1.00 0.00 C ATOM 881 O ALA A 58 0.460 4.442 3.791 1.00 0.00 O ATOM 882 CB ALA A 58 2.248 1.608 4.752 1.00 0.00 C ATOM 0 H ALA A 58 -0.553 2.559 4.830 1.00 0.00 H new ATOM 0 HA ALA A 58 1.973 3.211 6.140 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.267 1.896 4.495 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.271 0.852 5.537 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.753 1.200 3.871 1.00 0.00 H new ATOM 888 N PHE A 59 2.704 4.288 3.740 1.00 0.00 N ATOM 889 CA PHE A 59 2.862 5.330 2.731 1.00 0.00 C ATOM 890 C PHE A 59 4.001 4.992 1.774 1.00 0.00 C ATOM 891 O PHE A 59 5.124 4.719 2.199 1.00 0.00 O ATOM 892 CB PHE A 59 3.126 6.680 3.400 1.00 0.00 C ATOM 893 CG PHE A 59 2.173 6.993 4.518 1.00 0.00 C ATOM 894 CD1 PHE A 59 2.278 6.345 5.738 1.00 0.00 C ATOM 895 CD2 PHE A 59 1.170 7.934 4.348 1.00 0.00 C ATOM 896 CE1 PHE A 59 1.403 6.631 6.768 1.00 0.00 C ATOM 897 CE2 PHE A 59 0.292 8.224 5.375 1.00 0.00 C ATOM 898 CZ PHE A 59 0.408 7.571 6.586 1.00 0.00 C ATOM 0 H PHE A 59 3.580 3.873 4.059 1.00 0.00 H new ATOM 0 HA PHE A 59 1.936 5.391 2.158 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.145 6.691 3.788 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.063 7.467 2.649 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.053 5.608 5.886 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.073 8.446 3.402 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.497 6.120 7.715 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.484 8.961 5.230 1.00 0.00 H new ATOM 0 HZ PHE A 59 -0.278 7.795 7.389 1.00 0.00 H new ATOM 908 N VAL A 60 3.703 5.012 0.479 1.00 0.00 N ATOM 909 CA VAL A 60 4.701 4.708 -0.540 1.00 0.00 C ATOM 910 C VAL A 60 4.954 5.914 -1.438 1.00 0.00 C ATOM 911 O VAL A 60 4.025 6.473 -2.020 1.00 0.00 O ATOM 912 CB VAL A 60 4.267 3.515 -1.413 1.00 0.00 C ATOM 913 CG1 VAL A 60 5.315 3.221 -2.475 1.00 0.00 C ATOM 914 CG2 VAL A 60 4.012 2.289 -0.549 1.00 0.00 C ATOM 0 H VAL A 60 2.779 5.236 0.110 1.00 0.00 H new ATOM 0 HA VAL A 60 5.621 4.449 -0.015 1.00 0.00 H new ATOM 0 HB VAL A 60 3.337 3.775 -1.918 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.991 2.375 -3.082 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.443 4.096 -3.112 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.263 2.980 -1.994 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.706 1.455 -1.181 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.925 2.024 -0.015 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.222 2.508 0.169 1.00 0.00 H new ATOM 924 N ARG A 61 6.218 6.310 -1.544 1.00 0.00 N ATOM 925 CA ARG A 61 6.595 7.451 -2.371 1.00 0.00 C ATOM 926 C ARG A 61 6.824 7.022 -3.817 1.00 0.00 C ATOM 927 O ARG A 61 7.293 5.915 -4.081 1.00 0.00 O ATOM 928 CB ARG A 61 7.857 8.114 -1.817 1.00 0.00 C ATOM 929 CG ARG A 61 7.582 9.123 -0.715 1.00 0.00 C ATOM 930 CD ARG A 61 8.858 9.514 0.014 1.00 0.00 C ATOM 931 NE ARG A 61 9.521 10.653 -0.614 1.00 0.00 N ATOM 932 CZ ARG A 61 9.002 11.876 -0.651 1.00 0.00 C ATOM 933 NH1 ARG A 61 7.820 12.115 -0.099 1.00 0.00 N ATOM 934 NH2 ARG A 61 9.665 12.862 -1.241 1.00 0.00 N ATOM 0 H ARG A 61 6.999 5.858 -1.068 1.00 0.00 H new ATOM 0 HA ARG A 61 5.776 8.170 -2.350 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.524 7.342 -1.433 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.382 8.613 -2.631 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.119 10.012 -1.142 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.870 8.703 -0.005 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.623 9.758 1.050 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.539 8.664 0.033 1.00 0.00 H new ATOM 0 HE ARG A 61 10.432 10.502 -1.048 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.307 11.359 0.355 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.424 13.054 -0.129 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.574 12.682 -1.667 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.266 13.800 -1.269 1.00 0.00 H new ATOM 948 N PHE A 62 6.490 7.907 -4.751 1.00 0.00 N ATOM 949 CA PHE A 62 6.658 7.620 -6.171 1.00 0.00 C ATOM 950 C PHE A 62 7.600 8.628 -6.821 1.00 0.00 C ATOM 951 O PHE A 62 8.179 9.480 -6.146 1.00 0.00 O ATOM 952 CB PHE A 62 5.303 7.639 -6.881 1.00 0.00 C ATOM 953 CG PHE A 62 4.477 6.410 -6.630 1.00 0.00 C ATOM 954 CD1 PHE A 62 4.085 6.072 -5.345 1.00 0.00 C ATOM 955 CD2 PHE A 62 4.093 5.592 -7.681 1.00 0.00 C ATOM 956 CE1 PHE A 62 3.326 4.941 -5.112 1.00 0.00 C ATOM 957 CE2 PHE A 62 3.333 4.459 -7.454 1.00 0.00 C ATOM 958 CZ PHE A 62 2.949 4.134 -6.168 1.00 0.00 C ATOM 0 H PHE A 62 6.102 8.828 -4.550 1.00 0.00 H new ATOM 0 HA PHE A 62 7.096 6.626 -6.266 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.743 8.516 -6.555 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.465 7.745 -7.954 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.376 6.700 -4.516 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.391 5.842 -8.689 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.028 4.688 -4.105 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.040 3.829 -8.281 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.355 3.250 -5.988 1.00 0.00 H new ATOM 968 N HIS A 63 7.749 8.526 -8.138 1.00 0.00 N ATOM 969 CA HIS A 63 8.621 9.429 -8.882 1.00 0.00 C ATOM 970 C HIS A 63 7.802 10.414 -9.711 1.00 0.00 C ATOM 971 O HIS A 63 8.133 11.597 -9.792 1.00 0.00 O ATOM 972 CB HIS A 63 9.557 8.633 -9.791 1.00 0.00 C ATOM 973 CG HIS A 63 10.818 8.191 -9.114 1.00 0.00 C ATOM 974 ND1 HIS A 63 11.888 9.033 -8.891 1.00 0.00 N ATOM 975 CD2 HIS A 63 11.176 6.988 -8.607 1.00 0.00 C ATOM 976 CE1 HIS A 63 12.849 8.366 -8.279 1.00 0.00 C ATOM 977 NE2 HIS A 63 12.442 7.123 -8.094 1.00 0.00 N ATOM 0 H HIS A 63 7.277 7.827 -8.712 1.00 0.00 H new ATOM 0 HA HIS A 63 9.217 9.993 -8.165 1.00 0.00 H new ATOM 0 HB2 HIS A 63 9.028 7.756 -10.164 1.00 0.00 H new ATOM 0 HB3 HIS A 63 9.814 9.243 -10.657 1.00 0.00 H new ATOM 0 HD2 HIS A 63 10.577 6.089 -8.606 1.00 0.00 H new ATOM 0 HE1 HIS A 63 13.806 8.768 -7.980 1.00 0.00 H new ATOM 0 HE2 HIS A 63 12.981 6.384 -7.643 1.00 0.00 H new ATOM 985 N ASP A 64 6.734 9.918 -10.326 1.00 0.00 N ATOM 986 CA ASP A 64 5.868 10.754 -11.149 1.00 0.00 C ATOM 987 C ASP A 64 4.412 10.622 -10.714 1.00 0.00 C ATOM 988 O ASP A 64 4.072 9.761 -9.902 1.00 0.00 O ATOM 989 CB ASP A 64 6.010 10.375 -12.624 1.00 0.00 C ATOM 990 CG ASP A 64 7.159 11.096 -13.300 1.00 0.00 C ATOM 991 OD1 ASP A 64 8.217 11.257 -12.658 1.00 0.00 O ATOM 992 OD2 ASP A 64 6.999 11.500 -14.471 1.00 0.00 O ATOM 0 H ASP A 64 6.447 8.941 -10.270 1.00 0.00 H new ATOM 0 HA ASP A 64 6.174 11.792 -11.018 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.162 9.299 -12.706 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.082 10.607 -13.146 1.00 0.00 H new ATOM 997 N ARG A 65 3.557 11.482 -11.258 1.00 0.00 N ATOM 998 CA ARG A 65 2.138 11.463 -10.925 1.00 0.00 C ATOM 999 C ARG A 65 1.395 10.430 -11.767 1.00 0.00 C ATOM 1000 O ARG A 65 0.765 9.517 -11.234 1.00 0.00 O ATOM 1001 CB ARG A 65 1.524 12.848 -11.137 1.00 0.00 C ATOM 1002 CG ARG A 65 0.153 13.010 -10.502 1.00 0.00 C ATOM 1003 CD ARG A 65 -0.566 14.240 -11.034 1.00 0.00 C ATOM 1004 NE ARG A 65 -0.062 15.471 -10.431 1.00 0.00 N ATOM 1005 CZ ARG A 65 -0.616 16.663 -10.623 1.00 0.00 C ATOM 1006 NH1 ARG A 65 -1.687 16.784 -11.395 1.00 0.00 N ATOM 1007 NH2 ARG A 65 -0.099 17.738 -10.040 1.00 0.00 N ATOM 0 H ARG A 65 3.823 12.201 -11.931 1.00 0.00 H new ATOM 0 HA ARG A 65 2.041 11.187 -9.875 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.197 13.601 -10.726 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.445 13.041 -12.207 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.448 12.122 -10.700 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.259 13.089 -9.420 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -0.446 14.291 -12.116 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.634 14.150 -10.836 1.00 0.00 H new ATOM 0 HE ARG A 65 0.760 15.412 -9.830 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -2.088 15.960 -11.844 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -2.110 17.701 -11.540 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.724 17.649 -9.444 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.525 18.653 -10.188 1.00 0.00 H new ATOM 1021 N ARG A 66 1.474 10.583 -13.085 1.00 0.00 N ATOM 1022 CA ARG A 66 0.808 9.665 -14.002 1.00 0.00 C ATOM 1023 C ARG A 66 0.813 8.243 -13.447 1.00 0.00 C ATOM 1024 O ARG A 66 -0.217 7.569 -13.431 1.00 0.00 O ATOM 1025 CB ARG A 66 1.490 9.692 -15.370 1.00 0.00 C ATOM 1026 CG ARG A 66 0.639 9.111 -16.487 1.00 0.00 C ATOM 1027 CD ARG A 66 1.403 9.060 -17.801 1.00 0.00 C ATOM 1028 NE ARG A 66 0.559 8.616 -18.908 1.00 0.00 N ATOM 1029 CZ ARG A 66 1.003 8.448 -20.148 1.00 0.00 C ATOM 1030 NH1 ARG A 66 2.275 8.685 -20.439 1.00 0.00 N ATOM 1031 NH2 ARG A 66 0.174 8.041 -21.101 1.00 0.00 N ATOM 0 H ARG A 66 1.992 11.334 -13.542 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.227 9.990 -14.113 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.746 10.722 -15.618 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.426 9.136 -15.311 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.315 8.107 -16.214 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.261 9.713 -16.611 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.805 10.048 -18.025 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.253 8.385 -17.700 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.425 8.425 -18.718 1.00 0.00 H new ATOM 0 HH11 ARG A 66 2.915 8.997 -19.709 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.613 8.555 -21.393 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.805 7.857 -20.881 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.516 7.912 -22.053 1.00 0.00 H new ATOM 1045 N ASP A 67 1.978 7.795 -12.993 1.00 0.00 N ATOM 1046 CA ASP A 67 2.117 6.455 -12.436 1.00 0.00 C ATOM 1047 C ASP A 67 1.194 6.265 -11.237 1.00 0.00 C ATOM 1048 O ASP A 67 0.344 5.376 -11.230 1.00 0.00 O ATOM 1049 CB ASP A 67 3.568 6.199 -12.024 1.00 0.00 C ATOM 1050 CG ASP A 67 4.519 6.231 -13.204 1.00 0.00 C ATOM 1051 OD1 ASP A 67 4.655 5.192 -13.884 1.00 0.00 O ATOM 1052 OD2 ASP A 67 5.128 7.294 -13.447 1.00 0.00 O ATOM 0 H ASP A 67 2.840 8.340 -13.000 1.00 0.00 H new ATOM 0 HA ASP A 67 1.834 5.738 -13.206 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.873 6.949 -11.295 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.637 5.229 -11.532 1.00 0.00 H new ATOM 1057 N ALA A 68 1.368 7.107 -10.224 1.00 0.00 N ATOM 1058 CA ALA A 68 0.550 7.033 -9.019 1.00 0.00 C ATOM 1059 C ALA A 68 -0.932 6.941 -9.367 1.00 0.00 C ATOM 1060 O ALA A 68 -1.643 6.072 -8.865 1.00 0.00 O ATOM 1061 CB ALA A 68 0.811 8.239 -8.129 1.00 0.00 C ATOM 0 H ALA A 68 2.068 7.849 -10.213 1.00 0.00 H new ATOM 0 HA ALA A 68 0.826 6.129 -8.477 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.194 8.171 -7.233 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.863 8.260 -7.844 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.564 9.152 -8.671 1.00 0.00 H new ATOM 1067 N GLN A 69 -1.390 7.843 -10.229 1.00 0.00 N ATOM 1068 CA GLN A 69 -2.788 7.863 -10.642 1.00 0.00 C ATOM 1069 C GLN A 69 -3.224 6.495 -11.155 1.00 0.00 C ATOM 1070 O GLN A 69 -4.275 5.982 -10.770 1.00 0.00 O ATOM 1071 CB GLN A 69 -3.007 8.921 -11.726 1.00 0.00 C ATOM 1072 CG GLN A 69 -3.365 10.292 -11.175 1.00 0.00 C ATOM 1073 CD GLN A 69 -4.180 11.118 -12.150 1.00 0.00 C ATOM 1074 OE1 GLN A 69 -3.774 12.210 -12.547 1.00 0.00 O ATOM 1075 NE2 GLN A 69 -5.339 10.599 -12.541 1.00 0.00 N ATOM 0 H GLN A 69 -0.814 8.569 -10.655 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.394 8.114 -9.771 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.102 9.005 -12.328 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.803 8.587 -12.392 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.927 10.172 -10.249 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.450 10.829 -10.926 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -5.636 9.690 -12.186 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.931 11.109 -13.196 1.00 0.00 H new ATOM 1084 N ASP A 70 -2.410 5.909 -12.027 1.00 0.00 N ATOM 1085 CA ASP A 70 -2.711 4.599 -12.593 1.00 0.00 C ATOM 1086 C ASP A 70 -2.687 3.522 -11.513 1.00 0.00 C ATOM 1087 O ASP A 70 -3.685 2.841 -11.279 1.00 0.00 O ATOM 1088 CB ASP A 70 -1.711 4.255 -13.697 1.00 0.00 C ATOM 1089 CG ASP A 70 -2.089 4.864 -15.032 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -2.995 4.319 -15.698 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -1.481 5.886 -15.411 1.00 0.00 O ATOM 0 H ASP A 70 -1.537 6.320 -12.357 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.713 4.637 -13.021 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.721 4.607 -13.408 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -1.647 3.172 -13.800 1.00 0.00 H new ATOM 1096 N ALA A 71 -1.540 3.373 -10.858 1.00 0.00 N ATOM 1097 CA ALA A 71 -1.385 2.380 -9.803 1.00 0.00 C ATOM 1098 C ALA A 71 -2.531 2.463 -8.800 1.00 0.00 C ATOM 1099 O ALA A 71 -3.033 1.441 -8.333 1.00 0.00 O ATOM 1100 CB ALA A 71 -0.049 2.562 -9.098 1.00 0.00 C ATOM 0 H ALA A 71 -0.704 3.928 -11.040 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.408 1.391 -10.262 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.053 1.813 -8.312 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.761 2.445 -9.818 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.003 3.558 -8.658 1.00 0.00 H new ATOM 1106 N GLU A 72 -2.938 3.685 -8.473 1.00 0.00 N ATOM 1107 CA GLU A 72 -4.023 3.900 -7.523 1.00 0.00 C ATOM 1108 C GLU A 72 -5.297 3.198 -7.985 1.00 0.00 C ATOM 1109 O GLU A 72 -5.677 2.159 -7.445 1.00 0.00 O ATOM 1110 CB GLU A 72 -4.288 5.396 -7.346 1.00 0.00 C ATOM 1111 CG GLU A 72 -5.397 5.705 -6.355 1.00 0.00 C ATOM 1112 CD GLU A 72 -6.002 7.080 -6.566 1.00 0.00 C ATOM 1113 OE1 GLU A 72 -5.302 7.957 -7.116 1.00 0.00 O ATOM 1114 OE2 GLU A 72 -7.172 7.280 -6.181 1.00 0.00 O ATOM 0 H GLU A 72 -2.533 4.541 -8.852 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.722 3.477 -6.565 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.370 5.882 -7.015 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.546 5.828 -8.313 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.179 4.951 -6.444 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.002 5.637 -5.341 1.00 0.00 H new ATOM 1121 N ALA A 73 -5.953 3.773 -8.988 1.00 0.00 N ATOM 1122 CA ALA A 73 -7.182 3.203 -9.524 1.00 0.00 C ATOM 1123 C ALA A 73 -7.075 1.687 -9.650 1.00 0.00 C ATOM 1124 O ALA A 73 -7.921 0.951 -9.143 1.00 0.00 O ATOM 1125 CB ALA A 73 -7.508 3.826 -10.873 1.00 0.00 C ATOM 0 H ALA A 73 -5.653 4.634 -9.446 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.991 3.427 -8.828 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.429 3.391 -11.262 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.637 4.902 -10.755 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.693 3.632 -11.570 1.00 0.00 H new ATOM 1131 N ALA A 74 -6.030 1.227 -10.331 1.00 0.00 N ATOM 1132 CA ALA A 74 -5.812 -0.201 -10.523 1.00 0.00 C ATOM 1133 C ALA A 74 -6.001 -0.965 -9.217 1.00 0.00 C ATOM 1134 O ALA A 74 -6.716 -1.966 -9.171 1.00 0.00 O ATOM 1135 CB ALA A 74 -4.422 -0.451 -11.087 1.00 0.00 C ATOM 0 H ALA A 74 -5.321 1.823 -10.759 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.552 -0.564 -11.236 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.273 -1.522 -11.225 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.322 0.056 -12.047 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.674 -0.067 -10.394 1.00 0.00 H new ATOM 1141 N MET A 75 -5.355 -0.488 -8.159 1.00 0.00 N ATOM 1142 CA MET A 75 -5.453 -1.127 -6.852 1.00 0.00 C ATOM 1143 C MET A 75 -6.772 -0.775 -6.171 1.00 0.00 C ATOM 1144 O MET A 75 -7.660 -1.617 -6.044 1.00 0.00 O ATOM 1145 CB MET A 75 -4.280 -0.706 -5.965 1.00 0.00 C ATOM 1146 CG MET A 75 -2.950 -1.310 -6.388 1.00 0.00 C ATOM 1147 SD MET A 75 -1.829 -1.563 -4.999 1.00 0.00 S ATOM 1148 CE MET A 75 -2.037 -3.319 -4.712 1.00 0.00 C ATOM 0 H MET A 75 -4.758 0.339 -8.181 1.00 0.00 H new ATOM 0 HA MET A 75 -5.418 -2.206 -7.000 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.197 0.381 -5.979 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.491 -0.997 -4.936 1.00 0.00 H new ATOM 0 HG2 MET A 75 -3.130 -2.264 -6.883 1.00 0.00 H new ATOM 0 HG3 MET A 75 -2.475 -0.656 -7.119 1.00 0.00 H new ATOM 0 HE1 MET A 75 -1.725 -3.561 -3.696 1.00 0.00 H new ATOM 0 HE2 MET A 75 -3.085 -3.588 -4.844 1.00 0.00 H new ATOM 0 HE3 MET A 75 -1.427 -3.878 -5.422 1.00 0.00 H new ATOM 1158 N ASP A 76 -6.892 0.475 -5.736 1.00 0.00 N ATOM 1159 CA ASP A 76 -8.104 0.939 -5.070 1.00 0.00 C ATOM 1160 C ASP A 76 -9.339 0.260 -5.653 1.00 0.00 C ATOM 1161 O ASP A 76 -9.821 0.638 -6.720 1.00 0.00 O ATOM 1162 CB ASP A 76 -8.232 2.457 -5.198 1.00 0.00 C ATOM 1163 CG ASP A 76 -9.643 2.944 -4.932 1.00 0.00 C ATOM 1164 OD1 ASP A 76 -9.984 3.159 -3.750 1.00 0.00 O ATOM 1165 OD2 ASP A 76 -10.408 3.108 -5.906 1.00 0.00 O ATOM 0 H ASP A 76 -6.166 1.184 -5.833 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.032 0.676 -4.015 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -7.547 2.937 -4.498 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.929 2.761 -6.200 1.00 0.00 H new ATOM 1170 N GLY A 77 -9.846 -0.745 -4.946 1.00 0.00 N ATOM 1171 CA GLY A 77 -11.020 -1.460 -5.410 1.00 0.00 C ATOM 1172 C GLY A 77 -10.681 -2.825 -5.976 1.00 0.00 C ATOM 1173 O GLY A 77 -11.236 -3.237 -6.994 1.00 0.00 O ATOM 0 H GLY A 77 -9.465 -1.077 -4.060 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.721 -1.577 -4.583 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.524 -0.868 -6.174 1.00 0.00 H new ATOM 1177 N ALA A 78 -9.765 -3.527 -5.317 1.00 0.00 N ATOM 1178 CA ALA A 78 -9.352 -4.852 -5.761 1.00 0.00 C ATOM 1179 C ALA A 78 -9.615 -5.899 -4.683 1.00 0.00 C ATOM 1180 O ALA A 78 -10.062 -5.571 -3.585 1.00 0.00 O ATOM 1181 CB ALA A 78 -7.880 -4.846 -6.145 1.00 0.00 C ATOM 0 H ALA A 78 -9.295 -3.200 -4.473 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.944 -5.114 -6.638 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.586 -5.842 -6.475 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.718 -4.134 -6.954 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.280 -4.558 -5.282 1.00 0.00 H new ATOM 1187 N GLU A 79 -9.335 -7.157 -5.006 1.00 0.00 N ATOM 1188 CA GLU A 79 -9.543 -8.251 -4.064 1.00 0.00 C ATOM 1189 C GLU A 79 -8.213 -8.880 -3.659 1.00 0.00 C ATOM 1190 O GLU A 79 -7.575 -9.575 -4.451 1.00 0.00 O ATOM 1191 CB GLU A 79 -10.457 -9.314 -4.677 1.00 0.00 C ATOM 1192 CG GLU A 79 -10.694 -10.510 -3.770 1.00 0.00 C ATOM 1193 CD GLU A 79 -11.582 -11.560 -4.409 1.00 0.00 C ATOM 1194 OE1 GLU A 79 -12.686 -11.202 -4.869 1.00 0.00 O ATOM 1195 OE2 GLU A 79 -11.173 -12.739 -4.448 1.00 0.00 O ATOM 0 H GLU A 79 -8.964 -7.444 -5.912 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.019 -7.843 -3.172 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.417 -8.859 -4.922 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.020 -9.660 -5.614 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.736 -10.960 -3.510 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.150 -10.171 -2.840 1.00 0.00 H new ATOM 1202 N LEU A 80 -7.802 -8.632 -2.420 1.00 0.00 N ATOM 1203 CA LEU A 80 -6.547 -9.173 -1.908 1.00 0.00 C ATOM 1204 C LEU A 80 -6.607 -9.346 -0.394 1.00 0.00 C ATOM 1205 O LEU A 80 -7.266 -8.574 0.304 1.00 0.00 O ATOM 1206 CB LEU A 80 -5.382 -8.255 -2.282 1.00 0.00 C ATOM 1207 CG LEU A 80 -4.872 -8.370 -3.719 1.00 0.00 C ATOM 1208 CD1 LEU A 80 -3.996 -7.178 -4.072 1.00 0.00 C ATOM 1209 CD2 LEU A 80 -4.107 -9.671 -3.911 1.00 0.00 C ATOM 0 H LEU A 80 -8.319 -8.060 -1.752 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.390 -10.152 -2.362 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.688 -7.223 -2.108 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.552 -8.460 -1.606 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.731 -8.374 -4.389 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.642 -7.278 -5.098 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.575 -6.260 -3.975 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.142 -7.141 -3.396 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.752 -9.736 -4.939 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.256 -9.696 -3.231 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.765 -10.514 -3.701 1.00 0.00 H new ATOM 1221 N ASP A 81 -5.914 -10.362 0.108 1.00 0.00 N ATOM 1222 CA ASP A 81 -5.886 -10.634 1.541 1.00 0.00 C ATOM 1223 C ASP A 81 -7.299 -10.810 2.089 1.00 0.00 C ATOM 1224 O ASP A 81 -7.560 -10.533 3.259 1.00 0.00 O ATOM 1225 CB ASP A 81 -5.174 -9.502 2.283 1.00 0.00 C ATOM 1226 CG ASP A 81 -3.680 -9.731 2.392 1.00 0.00 C ATOM 1227 OD1 ASP A 81 -3.278 -10.838 2.809 1.00 0.00 O ATOM 1228 OD2 ASP A 81 -2.911 -8.804 2.062 1.00 0.00 O ATOM 0 H ASP A 81 -5.364 -11.011 -0.455 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.337 -11.562 1.699 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -5.357 -8.560 1.765 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.597 -9.404 3.283 1.00 0.00 H new ATOM 1233 N GLY A 82 -8.207 -11.271 1.234 1.00 0.00 N ATOM 1234 CA GLY A 82 -9.582 -11.473 1.651 1.00 0.00 C ATOM 1235 C GLY A 82 -10.274 -10.176 2.017 1.00 0.00 C ATOM 1236 O GLY A 82 -11.245 -10.175 2.774 1.00 0.00 O ATOM 0 H GLY A 82 -8.015 -11.508 0.261 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.134 -11.961 0.848 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.603 -12.147 2.508 1.00 0.00 H new ATOM 1240 N ARG A 83 -9.773 -9.068 1.481 1.00 0.00 N ATOM 1241 CA ARG A 83 -10.348 -7.757 1.759 1.00 0.00 C ATOM 1242 C ARG A 83 -9.999 -6.765 0.653 1.00 0.00 C ATOM 1243 O ARG A 83 -9.155 -7.043 -0.198 1.00 0.00 O ATOM 1244 CB ARG A 83 -9.848 -7.232 3.106 1.00 0.00 C ATOM 1245 CG ARG A 83 -10.613 -7.786 4.297 1.00 0.00 C ATOM 1246 CD ARG A 83 -10.642 -6.795 5.450 1.00 0.00 C ATOM 1247 NE ARG A 83 -11.321 -7.340 6.623 1.00 0.00 N ATOM 1248 CZ ARG A 83 -11.541 -6.645 7.734 1.00 0.00 C ATOM 1249 NH1 ARG A 83 -11.139 -5.385 7.822 1.00 0.00 N ATOM 1250 NH2 ARG A 83 -12.165 -7.211 8.759 1.00 0.00 N ATOM 0 H ARG A 83 -8.970 -9.052 0.852 1.00 0.00 H new ATOM 0 HA ARG A 83 -11.432 -7.865 1.799 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.793 -7.482 3.215 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.921 -6.144 3.112 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.633 -8.026 3.996 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -10.151 -8.716 4.627 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.622 -6.520 5.717 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.145 -5.882 5.131 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.644 -8.307 6.587 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -10.659 -4.947 7.036 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -11.309 -4.854 8.676 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -12.476 -8.180 8.695 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -12.334 -6.677 9.611 1.00 0.00 H new ATOM 1264 N GLU A 84 -10.654 -5.608 0.674 1.00 0.00 N ATOM 1265 CA GLU A 84 -10.413 -4.576 -0.327 1.00 0.00 C ATOM 1266 C GLU A 84 -9.312 -3.623 0.128 1.00 0.00 C ATOM 1267 O GLU A 84 -9.569 -2.661 0.854 1.00 0.00 O ATOM 1268 CB GLU A 84 -11.698 -3.794 -0.605 1.00 0.00 C ATOM 1269 CG GLU A 84 -11.644 -2.966 -1.878 1.00 0.00 C ATOM 1270 CD GLU A 84 -12.750 -1.931 -1.949 1.00 0.00 C ATOM 1271 OE1 GLU A 84 -12.958 -1.218 -0.945 1.00 0.00 O ATOM 1272 OE2 GLU A 84 -13.406 -1.834 -3.006 1.00 0.00 O ATOM 0 H GLU A 84 -11.355 -5.362 1.373 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.089 -5.065 -1.245 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.531 -4.493 -0.672 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.902 -3.135 0.239 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.678 -2.465 -1.940 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.715 -3.628 -2.741 1.00 0.00 H new ATOM 1279 N LEU A 85 -8.086 -3.896 -0.302 1.00 0.00 N ATOM 1280 CA LEU A 85 -6.944 -3.064 0.061 1.00 0.00 C ATOM 1281 C LEU A 85 -7.179 -1.611 -0.342 1.00 0.00 C ATOM 1282 O LEU A 85 -7.355 -1.304 -1.521 1.00 0.00 O ATOM 1283 CB LEU A 85 -5.672 -3.590 -0.605 1.00 0.00 C ATOM 1284 CG LEU A 85 -5.460 -5.103 -0.547 1.00 0.00 C ATOM 1285 CD1 LEU A 85 -4.162 -5.488 -1.241 1.00 0.00 C ATOM 1286 CD2 LEU A 85 -5.458 -5.586 0.896 1.00 0.00 C ATOM 0 H LEU A 85 -7.856 -4.688 -0.903 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.824 -3.107 1.144 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.681 -3.284 -1.651 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.815 -3.105 -0.138 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.285 -5.586 -1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.028 -6.569 -1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.201 -5.177 -2.285 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.325 -4.995 -0.747 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.306 -6.665 0.918 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.653 -5.095 1.443 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.413 -5.345 1.362 1.00 0.00 H new ATOM 1298 N ARG A 86 -7.180 -0.721 0.645 1.00 0.00 N ATOM 1299 CA ARG A 86 -7.392 0.699 0.394 1.00 0.00 C ATOM 1300 C ARG A 86 -6.099 1.370 -0.058 1.00 0.00 C ATOM 1301 O ARG A 86 -5.270 1.761 0.764 1.00 0.00 O ATOM 1302 CB ARG A 86 -7.924 1.387 1.652 1.00 0.00 C ATOM 1303 CG ARG A 86 -9.442 1.402 1.743 1.00 0.00 C ATOM 1304 CD ARG A 86 -10.031 2.610 1.033 1.00 0.00 C ATOM 1305 NE ARG A 86 -10.311 2.336 -0.374 1.00 0.00 N ATOM 1306 CZ ARG A 86 -11.357 1.631 -0.791 1.00 0.00 C ATOM 1307 NH1 ARG A 86 -12.216 1.131 0.086 1.00 0.00 N ATOM 1308 NH2 ARG A 86 -11.544 1.424 -2.088 1.00 0.00 N ATOM 0 H ARG A 86 -7.036 -0.959 1.626 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.129 0.795 -0.403 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -7.521 0.882 2.530 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -7.557 2.413 1.678 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -9.843 0.489 1.303 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -9.745 1.411 2.790 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -10.951 2.911 1.534 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -9.338 3.448 1.108 1.00 0.00 H new ATOM 0 HE ARG A 86 -9.669 2.706 -1.075 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.075 1.287 1.084 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -13.018 0.590 -0.237 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -10.884 1.806 -2.766 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -12.347 0.883 -2.407 1.00 0.00 H new ATOM 1322 N VAL A 87 -5.933 1.501 -1.371 1.00 0.00 N ATOM 1323 CA VAL A 87 -4.741 2.126 -1.932 1.00 0.00 C ATOM 1324 C VAL A 87 -5.077 3.462 -2.585 1.00 0.00 C ATOM 1325 O VAL A 87 -5.394 3.521 -3.772 1.00 0.00 O ATOM 1326 CB VAL A 87 -4.067 1.213 -2.974 1.00 0.00 C ATOM 1327 CG1 VAL A 87 -2.657 1.697 -3.275 1.00 0.00 C ATOM 1328 CG2 VAL A 87 -4.053 -0.229 -2.489 1.00 0.00 C ATOM 0 H VAL A 87 -6.609 1.183 -2.065 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.051 2.293 -1.105 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.645 1.256 -3.897 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.197 1.040 -4.013 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.697 2.713 -3.668 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.065 1.686 -2.360 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.573 -0.860 -3.237 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -3.499 -0.292 -1.552 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.076 -0.569 -2.330 1.00 0.00 H new ATOM 1338 N GLN A 88 -5.005 4.532 -1.800 1.00 0.00 N ATOM 1339 CA GLN A 88 -5.301 5.869 -2.302 1.00 0.00 C ATOM 1340 C GLN A 88 -4.371 6.904 -1.678 1.00 0.00 C ATOM 1341 O GLN A 88 -3.677 6.621 -0.701 1.00 0.00 O ATOM 1342 CB GLN A 88 -6.758 6.234 -2.011 1.00 0.00 C ATOM 1343 CG GLN A 88 -7.133 6.116 -0.543 1.00 0.00 C ATOM 1344 CD GLN A 88 -8.588 6.457 -0.284 1.00 0.00 C ATOM 1345 OE1 GLN A 88 -9.486 5.680 -0.607 1.00 0.00 O ATOM 1346 NE2 GLN A 88 -8.827 7.624 0.303 1.00 0.00 N ATOM 0 H GLN A 88 -4.744 4.499 -0.814 1.00 0.00 H new ATOM 0 HA GLN A 88 -5.142 5.868 -3.380 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -6.941 7.256 -2.343 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -7.410 5.587 -2.597 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -6.935 5.100 -0.202 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -6.498 6.779 0.045 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.051 8.237 0.554 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.786 7.907 0.503 1.00 0.00 H new ATOM 1355 N VAL A 89 -4.361 8.104 -2.249 1.00 0.00 N ATOM 1356 CA VAL A 89 -3.516 9.182 -1.749 1.00 0.00 C ATOM 1357 C VAL A 89 -3.867 9.531 -0.307 1.00 0.00 C ATOM 1358 O VAL A 89 -5.002 9.897 -0.005 1.00 0.00 O ATOM 1359 CB VAL A 89 -3.646 10.447 -2.618 1.00 0.00 C ATOM 1360 CG1 VAL A 89 -2.629 11.495 -2.192 1.00 0.00 C ATOM 1361 CG2 VAL A 89 -3.481 10.100 -4.090 1.00 0.00 C ATOM 0 H VAL A 89 -4.929 8.354 -3.059 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.487 8.824 -1.794 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.643 10.864 -2.475 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.736 12.381 -2.817 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.799 11.764 -1.149 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.622 11.092 -2.304 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.576 11.005 -4.690 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.498 9.659 -4.252 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.251 9.387 -4.384 1.00 0.00 H new