USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 637 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 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 18 THR OG1 : rot -84:sc= 0.298 USER MOD Single : A 19 THR OG1 : rot 73:sc= 0.925 USER MOD Single : A 20 SER OG : rot 112:sc= 1.27 USER MOD Single : A 40 CYS SG : rot 120:sc= -2.34 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.541 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -1.25 X(o=-1.2,f=-1.4!) USER MOD Single : A 57 ASN : amide:sc= 0.276 K(o=0.28,f=-4.4!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.135 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN : amide:sc= -0.624 K(o=-0.62,f=-1.5) USER MOD Single : A 69 THR OG1 : rot 80:sc= -0.0212 USER MOD Single : A 71 GLN : amide:sc= -0.0286 K(o=-0.029,f=-1.4) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -4.21! C(o=-4.2!,f=-3.7!) USER MOD Single : A 80 HIS : no HE2:sc= -1.17 X(o=-1.2,f=-1.6) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= -1.09 USER MOD Single : A 93 ASN : amide:sc= -0.104 K(o=-0.1,f=-2!) USER MOD Single : A 97 ASN : amide:sc= -0.794 K(o=-0.79,f=0) USER MOD Single : A 98 ASN : amide:sc= -1.83! K(o=-1.8!,f=-0.36) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.0076) USER MOD ----------------------------------------------------------------- ATOM 121 N THR A 11 18.334 4.735 -0.314 1.00 0.00 N ATOM 122 CA THR A 11 17.618 3.607 -0.895 1.00 0.00 C ATOM 123 C THR A 11 17.006 2.726 0.189 1.00 0.00 C ATOM 124 O THR A 11 15.847 2.321 0.094 1.00 0.00 O ATOM 125 CB THR A 11 18.544 2.748 -1.776 1.00 0.00 C ATOM 126 OG1 THR A 11 17.815 1.641 -2.319 1.00 0.00 O ATOM 127 CG2 THR A 11 19.731 2.235 -0.975 1.00 0.00 C ATOM 0 HA THR A 11 16.822 4.023 -1.513 1.00 0.00 H new ATOM 0 HB THR A 11 18.917 3.372 -2.589 1.00 0.00 H new ATOM 0 HG1 THR A 11 18.410 1.100 -2.879 1.00 0.00 H new ATOM 0 HG21 THR A 11 20.371 1.631 -1.619 1.00 0.00 H new ATOM 0 HG22 THR A 11 20.301 3.080 -0.587 1.00 0.00 H new ATOM 0 HG23 THR A 11 19.374 1.626 -0.144 1.00 0.00 H new ATOM 135 N LYS A 12 17.791 2.434 1.220 1.00 0.00 N ATOM 136 CA LYS A 12 17.327 1.603 2.325 1.00 0.00 C ATOM 137 C LYS A 12 15.897 1.965 2.714 1.00 0.00 C ATOM 138 O LYS A 12 15.134 1.114 3.174 1.00 0.00 O ATOM 139 CB LYS A 12 18.252 1.762 3.533 1.00 0.00 C ATOM 140 CG LYS A 12 17.846 0.913 4.726 1.00 0.00 C ATOM 141 CD LYS A 12 18.655 1.266 5.963 1.00 0.00 C ATOM 142 CE LYS A 12 19.934 0.447 6.044 1.00 0.00 C ATOM 143 NZ LYS A 12 20.997 1.154 6.812 1.00 0.00 N ATOM 0 H LYS A 12 18.753 2.761 1.314 1.00 0.00 H new ATOM 0 HA LYS A 12 17.344 0.563 1.998 1.00 0.00 H new ATOM 0 HB2 LYS A 12 19.268 1.499 3.239 1.00 0.00 H new ATOM 0 HB3 LYS A 12 18.268 2.810 3.832 1.00 0.00 H new ATOM 0 HG2 LYS A 12 16.785 1.056 4.931 1.00 0.00 H new ATOM 0 HG3 LYS A 12 17.985 -0.141 4.488 1.00 0.00 H new ATOM 0 HD2 LYS A 12 18.902 2.328 5.947 1.00 0.00 H new ATOM 0 HD3 LYS A 12 18.053 1.092 6.855 1.00 0.00 H new ATOM 0 HE2 LYS A 12 19.722 -0.512 6.516 1.00 0.00 H new ATOM 0 HE3 LYS A 12 20.294 0.234 5.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 21.853 0.564 6.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 21.218 2.058 6.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 20.664 1.335 7.780 1.00 0.00 H new ATOM 157 N LEU A 13 15.540 3.230 2.526 1.00 0.00 N ATOM 158 CA LEU A 13 14.200 3.704 2.856 1.00 0.00 C ATOM 159 C LEU A 13 13.152 3.036 1.972 1.00 0.00 C ATOM 160 O LEU A 13 12.226 2.394 2.467 1.00 0.00 O ATOM 161 CB LEU A 13 14.122 5.224 2.698 1.00 0.00 C ATOM 162 CG LEU A 13 12.756 5.857 2.964 1.00 0.00 C ATOM 163 CD1 LEU A 13 12.393 5.746 4.436 1.00 0.00 C ATOM 164 CD2 LEU A 13 12.747 7.312 2.518 1.00 0.00 C ATOM 0 H LEU A 13 16.159 3.946 2.147 1.00 0.00 H new ATOM 0 HA LEU A 13 13.994 3.441 3.894 1.00 0.00 H new ATOM 0 HB2 LEU A 13 14.848 5.677 3.373 1.00 0.00 H new ATOM 0 HB3 LEU A 13 14.427 5.480 1.683 1.00 0.00 H new ATOM 0 HG LEU A 13 12.007 5.316 2.386 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.418 6.202 4.606 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.357 4.695 4.724 1.00 0.00 H new ATOM 0 HD13 LEU A 13 13.144 6.261 5.036 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.767 7.747 2.715 1.00 0.00 H new ATOM 0 HD22 LEU A 13 13.507 7.866 3.069 1.00 0.00 H new ATOM 0 HD23 LEU A 13 12.960 7.367 1.451 1.00 0.00 H new ATOM 176 N TRP A 14 13.307 3.189 0.662 1.00 0.00 N ATOM 177 CA TRP A 14 12.375 2.597 -0.292 1.00 0.00 C ATOM 178 C TRP A 14 12.153 1.119 0.009 1.00 0.00 C ATOM 179 O TRP A 14 11.023 0.634 -0.019 1.00 0.00 O ATOM 180 CB TRP A 14 12.898 2.767 -1.719 1.00 0.00 C ATOM 181 CG TRP A 14 12.214 1.876 -2.712 1.00 0.00 C ATOM 182 CD1 TRP A 14 12.698 0.712 -3.238 1.00 0.00 C ATOM 183 CD2 TRP A 14 10.924 2.078 -3.299 1.00 0.00 C ATOM 184 NE1 TRP A 14 11.786 0.178 -4.116 1.00 0.00 N ATOM 185 CE2 TRP A 14 10.689 0.997 -4.171 1.00 0.00 C ATOM 186 CE3 TRP A 14 9.944 3.066 -3.171 1.00 0.00 C ATOM 187 CZ2 TRP A 14 9.515 0.880 -4.910 1.00 0.00 C ATOM 188 CZ3 TRP A 14 8.780 2.948 -3.906 1.00 0.00 C ATOM 189 CH2 TRP A 14 8.573 1.861 -4.766 1.00 0.00 C ATOM 0 H TRP A 14 14.068 3.717 0.236 1.00 0.00 H new ATOM 0 HA TRP A 14 11.420 3.114 -0.198 1.00 0.00 H new ATOM 0 HB2 TRP A 14 12.769 3.805 -2.024 1.00 0.00 H new ATOM 0 HB3 TRP A 14 13.968 2.561 -1.733 1.00 0.00 H new ATOM 0 HD1 TRP A 14 13.657 0.276 -2.999 1.00 0.00 H new ATOM 0 HE1 TRP A 14 11.906 -0.688 -4.642 1.00 0.00 H new ATOM 0 HE3 TRP A 14 10.094 3.907 -2.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 9.354 0.044 -5.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 8.016 3.707 -3.816 1.00 0.00 H new ATOM 0 HH2 TRP A 14 7.652 1.797 -5.326 1.00 0.00 H new ATOM 200 N ASN A 15 13.239 0.409 0.298 1.00 0.00 N ATOM 201 CA ASN A 15 13.161 -1.015 0.604 1.00 0.00 C ATOM 202 C ASN A 15 12.414 -1.250 1.913 1.00 0.00 C ATOM 203 O ASN A 15 11.688 -2.234 2.056 1.00 0.00 O ATOM 204 CB ASN A 15 14.565 -1.617 0.690 1.00 0.00 C ATOM 205 CG ASN A 15 15.055 -2.136 -0.647 1.00 0.00 C ATOM 206 OD1 ASN A 15 14.502 -3.090 -1.195 1.00 0.00 O ATOM 207 ND2 ASN A 15 16.098 -1.510 -1.180 1.00 0.00 N ATOM 0 H ASN A 15 14.182 0.796 0.327 1.00 0.00 H new ATOM 0 HA ASN A 15 12.612 -1.504 -0.200 1.00 0.00 H new ATOM 0 HB2 ASN A 15 15.259 -0.862 1.060 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.564 -2.431 1.414 1.00 0.00 H new ATOM 0 HD21 ASN A 15 16.472 -1.816 -2.079 1.00 0.00 H new ATOM 0 HD22 ASN A 15 16.525 -0.724 -0.691 1.00 0.00 H new ATOM 214 N GLU A 16 12.596 -0.340 2.864 1.00 0.00 N ATOM 215 CA GLU A 16 11.939 -0.448 4.161 1.00 0.00 C ATOM 216 C GLU A 16 10.432 -0.246 4.027 1.00 0.00 C ATOM 217 O GLU A 16 9.643 -1.121 4.384 1.00 0.00 O ATOM 218 CB GLU A 16 12.517 0.577 5.138 1.00 0.00 C ATOM 219 CG GLU A 16 11.583 0.917 6.288 1.00 0.00 C ATOM 220 CD GLU A 16 10.740 -0.266 6.724 1.00 0.00 C ATOM 221 OE1 GLU A 16 11.236 -1.409 6.641 1.00 0.00 O ATOM 222 OE2 GLU A 16 9.585 -0.049 7.147 1.00 0.00 O ATOM 0 H GLU A 16 13.193 0.481 2.761 1.00 0.00 H new ATOM 0 HA GLU A 16 12.121 -1.451 4.548 1.00 0.00 H new ATOM 0 HB2 GLU A 16 13.453 0.193 5.543 1.00 0.00 H new ATOM 0 HB3 GLU A 16 12.757 1.490 4.594 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.170 1.272 7.135 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.928 1.735 5.989 1.00 0.00 H new ATOM 229 N VAL A 17 10.041 0.914 3.509 1.00 0.00 N ATOM 230 CA VAL A 17 8.630 1.232 3.326 1.00 0.00 C ATOM 231 C VAL A 17 7.887 0.077 2.664 1.00 0.00 C ATOM 232 O VAL A 17 6.895 -0.424 3.194 1.00 0.00 O ATOM 233 CB VAL A 17 8.447 2.502 2.473 1.00 0.00 C ATOM 234 CG1 VAL A 17 6.971 2.842 2.332 1.00 0.00 C ATOM 235 CG2 VAL A 17 9.216 3.666 3.079 1.00 0.00 C ATOM 0 H VAL A 17 10.681 1.649 3.209 1.00 0.00 H new ATOM 0 HA VAL A 17 8.214 1.406 4.318 1.00 0.00 H new ATOM 0 HB VAL A 17 8.848 2.311 1.477 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.861 3.742 1.727 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.451 2.014 1.849 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.541 3.014 3.319 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.075 4.555 2.464 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.848 3.860 4.086 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.277 3.418 3.122 1.00 0.00 H new ATOM 245 N THR A 18 8.375 -0.344 1.500 1.00 0.00 N ATOM 246 CA THR A 18 7.758 -1.440 0.765 1.00 0.00 C ATOM 247 C THR A 18 7.466 -2.622 1.681 1.00 0.00 C ATOM 248 O THR A 18 6.371 -3.186 1.657 1.00 0.00 O ATOM 249 CB THR A 18 8.654 -1.913 -0.395 1.00 0.00 C ATOM 250 OG1 THR A 18 9.996 -2.101 0.068 1.00 0.00 O ATOM 251 CG2 THR A 18 8.642 -0.905 -1.534 1.00 0.00 C ATOM 0 H THR A 18 9.196 0.058 1.047 1.00 0.00 H new ATOM 0 HA THR A 18 6.821 -1.059 0.359 1.00 0.00 H new ATOM 0 HB THR A 18 8.261 -2.860 -0.765 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.470 -1.243 0.054 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.282 -1.261 -2.342 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.624 -0.786 -1.904 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.012 0.055 -1.174 1.00 0.00 H new ATOM 259 N THR A 19 8.452 -2.994 2.492 1.00 0.00 N ATOM 260 CA THR A 19 8.302 -4.110 3.417 1.00 0.00 C ATOM 261 C THR A 19 7.109 -3.900 4.342 1.00 0.00 C ATOM 262 O THR A 19 6.173 -4.699 4.355 1.00 0.00 O ATOM 263 CB THR A 19 9.569 -4.309 4.269 1.00 0.00 C ATOM 264 OG1 THR A 19 10.704 -4.515 3.419 1.00 0.00 O ATOM 265 CG2 THR A 19 9.410 -5.495 5.208 1.00 0.00 C ATOM 0 H THR A 19 9.364 -2.538 2.526 1.00 0.00 H new ATOM 0 HA THR A 19 8.137 -5.002 2.812 1.00 0.00 H new ATOM 0 HB THR A 19 9.722 -3.411 4.867 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.947 -3.669 2.987 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.318 -5.615 5.799 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.564 -5.322 5.873 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.234 -6.399 4.625 1.00 0.00 H new ATOM 273 N SER A 20 7.149 -2.820 5.115 1.00 0.00 N ATOM 274 CA SER A 20 6.071 -2.506 6.047 1.00 0.00 C ATOM 275 C SER A 20 4.710 -2.665 5.377 1.00 0.00 C ATOM 276 O SER A 20 3.850 -3.401 5.859 1.00 0.00 O ATOM 277 CB SER A 20 6.227 -1.080 6.579 1.00 0.00 C ATOM 278 OG SER A 20 7.144 -1.036 7.659 1.00 0.00 O ATOM 0 H SER A 20 7.916 -2.147 5.115 1.00 0.00 H new ATOM 0 HA SER A 20 6.130 -3.206 6.881 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.572 -0.425 5.778 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.258 -0.702 6.905 1.00 0.00 H new ATOM 0 HG SER A 20 7.948 -0.546 7.386 1.00 0.00 H new ATOM 284 N PHE A 21 4.523 -1.969 4.260 1.00 0.00 N ATOM 285 CA PHE A 21 3.266 -2.030 3.523 1.00 0.00 C ATOM 286 C PHE A 21 2.810 -3.476 3.346 1.00 0.00 C ATOM 287 O PHE A 21 1.741 -3.863 3.818 1.00 0.00 O ATOM 288 CB PHE A 21 3.419 -1.361 2.156 1.00 0.00 C ATOM 289 CG PHE A 21 2.245 -1.582 1.245 1.00 0.00 C ATOM 290 CD1 PHE A 21 2.143 -2.742 0.494 1.00 0.00 C ATOM 291 CD2 PHE A 21 1.245 -0.629 1.140 1.00 0.00 C ATOM 292 CE1 PHE A 21 1.064 -2.948 -0.345 1.00 0.00 C ATOM 293 CE2 PHE A 21 0.163 -0.831 0.303 1.00 0.00 C ATOM 294 CZ PHE A 21 0.073 -1.991 -0.441 1.00 0.00 C ATOM 0 H PHE A 21 5.226 -1.357 3.846 1.00 0.00 H new ATOM 0 HA PHE A 21 2.510 -1.496 4.098 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.561 -0.290 2.299 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.320 -1.741 1.673 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.915 -3.494 0.565 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.311 0.281 1.718 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.996 -3.857 -0.925 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.612 -0.082 0.231 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.771 -2.149 -1.097 1.00 0.00 H new ATOM 304 N ARG A 22 3.628 -4.268 2.661 1.00 0.00 N ATOM 305 CA ARG A 22 3.308 -5.670 2.419 1.00 0.00 C ATOM 306 C ARG A 22 2.960 -6.381 3.723 1.00 0.00 C ATOM 307 O ARG A 22 1.868 -6.929 3.870 1.00 0.00 O ATOM 308 CB ARG A 22 4.485 -6.374 1.741 1.00 0.00 C ATOM 309 CG ARG A 22 4.075 -7.563 0.888 1.00 0.00 C ATOM 310 CD ARG A 22 3.517 -8.693 1.740 1.00 0.00 C ATOM 311 NE ARG A 22 3.625 -9.987 1.072 1.00 0.00 N ATOM 312 CZ ARG A 22 2.991 -11.080 1.481 1.00 0.00 C ATOM 313 NH1 ARG A 22 2.208 -11.036 2.549 1.00 0.00 N ATOM 314 NH2 ARG A 22 3.139 -12.221 0.819 1.00 0.00 N ATOM 0 H ARG A 22 4.517 -3.963 2.264 1.00 0.00 H new ATOM 0 HA ARG A 22 2.441 -5.710 1.760 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.016 -5.656 1.116 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.185 -6.711 2.506 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.326 -7.250 0.161 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.936 -7.922 0.324 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.052 -8.729 2.689 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.471 -8.490 1.971 1.00 0.00 H new ATOM 0 HE ARG A 22 4.220 -10.055 0.246 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.091 -10.161 3.060 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.723 -11.877 2.860 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.740 -12.259 -0.004 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.652 -13.060 1.134 1.00 0.00 H new ATOM 328 N ALA A 23 3.896 -6.368 4.667 1.00 0.00 N ATOM 329 CA ALA A 23 3.688 -7.010 5.959 1.00 0.00 C ATOM 330 C ALA A 23 2.476 -6.422 6.674 1.00 0.00 C ATOM 331 O ALA A 23 1.872 -7.071 7.527 1.00 0.00 O ATOM 332 CB ALA A 23 4.932 -6.872 6.823 1.00 0.00 C ATOM 0 H ALA A 23 4.806 -5.920 4.561 1.00 0.00 H new ATOM 0 HA ALA A 23 3.496 -8.069 5.785 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.762 -7.356 7.785 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.777 -7.345 6.323 1.00 0.00 H new ATOM 0 HB3 ALA A 23 5.149 -5.816 6.982 1.00 0.00 H new ATOM 338 N GLY A 24 2.127 -5.188 6.322 1.00 0.00 N ATOM 339 CA GLY A 24 0.990 -4.534 6.942 1.00 0.00 C ATOM 340 C GLY A 24 -0.170 -5.482 7.173 1.00 0.00 C ATOM 341 O GLY A 24 -0.292 -6.072 8.246 1.00 0.00 O ATOM 0 H GLY A 24 2.611 -4.630 5.619 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.298 -4.103 7.895 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.661 -3.709 6.310 1.00 0.00 H new ATOM 622 N CYS A 40 -9.003 -8.671 -3.840 1.00 0.00 N ATOM 623 CA CYS A 40 -8.523 -7.341 -4.200 1.00 0.00 C ATOM 624 C CYS A 40 -9.127 -6.280 -3.286 1.00 0.00 C ATOM 625 O CYS A 40 -10.284 -6.382 -2.879 1.00 0.00 O ATOM 626 CB CYS A 40 -8.864 -7.030 -5.658 1.00 0.00 C ATOM 627 SG CYS A 40 -8.252 -8.256 -6.837 1.00 0.00 S ATOM 0 HA CYS A 40 -7.440 -7.327 -4.077 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -9.947 -6.954 -5.758 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -8.451 -6.055 -5.917 1.00 0.00 H new ATOM 0 HG CYS A 40 -9.254 -8.774 -7.484 1.00 0.00 H new ATOM 633 N PHE A 41 -8.335 -5.262 -2.966 1.00 0.00 N ATOM 634 CA PHE A 41 -8.791 -4.182 -2.097 1.00 0.00 C ATOM 635 C PHE A 41 -8.764 -2.845 -2.832 1.00 0.00 C ATOM 636 O PHE A 41 -7.801 -2.526 -3.531 1.00 0.00 O ATOM 637 CB PHE A 41 -7.918 -4.106 -0.843 1.00 0.00 C ATOM 638 CG PHE A 41 -6.445 -4.146 -1.134 1.00 0.00 C ATOM 639 CD1 PHE A 41 -5.799 -3.040 -1.663 1.00 0.00 C ATOM 640 CD2 PHE A 41 -5.706 -5.290 -0.879 1.00 0.00 C ATOM 641 CE1 PHE A 41 -4.444 -3.074 -1.932 1.00 0.00 C ATOM 642 CE2 PHE A 41 -4.350 -5.330 -1.146 1.00 0.00 C ATOM 643 CZ PHE A 41 -3.719 -4.221 -1.674 1.00 0.00 C ATOM 0 H PHE A 41 -7.375 -5.162 -3.295 1.00 0.00 H new ATOM 0 HA PHE A 41 -9.819 -4.394 -1.803 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -8.149 -3.187 -0.305 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -8.172 -4.935 -0.182 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -6.361 -2.141 -1.867 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -6.195 -6.160 -0.467 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.952 -2.205 -2.343 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.785 -6.227 -0.942 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.660 -4.250 -1.885 1.00 0.00 H new ATOM 653 N THR A 42 -9.828 -2.065 -2.669 1.00 0.00 N ATOM 654 CA THR A 42 -9.928 -0.764 -3.316 1.00 0.00 C ATOM 655 C THR A 42 -8.742 0.123 -2.956 1.00 0.00 C ATOM 656 O THR A 42 -8.389 0.259 -1.785 1.00 0.00 O ATOM 657 CB THR A 42 -11.232 -0.041 -2.926 1.00 0.00 C ATOM 658 OG1 THR A 42 -11.287 0.137 -1.507 1.00 0.00 O ATOM 659 CG2 THR A 42 -12.447 -0.829 -3.391 1.00 0.00 C ATOM 0 H THR A 42 -10.633 -2.313 -2.094 1.00 0.00 H new ATOM 0 HA THR A 42 -9.929 -0.946 -4.391 1.00 0.00 H new ATOM 0 HB THR A 42 -11.242 0.933 -3.415 1.00 0.00 H new ATOM 0 HG1 THR A 42 -12.118 0.599 -1.267 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.356 -0.299 -3.105 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.417 -0.938 -4.475 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.440 -1.815 -2.927 1.00 0.00 H new ATOM 667 N ALA A 43 -8.129 0.725 -3.970 1.00 0.00 N ATOM 668 CA ALA A 43 -6.984 1.601 -3.760 1.00 0.00 C ATOM 669 C ALA A 43 -7.218 2.536 -2.578 1.00 0.00 C ATOM 670 O ALA A 43 -6.295 2.843 -1.824 1.00 0.00 O ATOM 671 CB ALA A 43 -6.693 2.402 -5.020 1.00 0.00 C ATOM 0 H ALA A 43 -8.407 0.622 -4.946 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.119 0.978 -3.532 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.835 3.052 -4.848 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.473 1.720 -5.842 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.562 3.008 -5.275 1.00 0.00 H new ATOM 677 N GLY A 44 -8.459 2.988 -2.423 1.00 0.00 N ATOM 678 CA GLY A 44 -8.791 3.884 -1.332 1.00 0.00 C ATOM 679 C GLY A 44 -8.301 3.374 0.008 1.00 0.00 C ATOM 680 O GLY A 44 -7.675 4.111 0.769 1.00 0.00 O ATOM 0 H GLY A 44 -9.240 2.749 -3.034 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.355 4.864 -1.526 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.872 4.018 -1.293 1.00 0.00 H new ATOM 684 N GLU A 45 -8.586 2.108 0.298 1.00 0.00 N ATOM 685 CA GLU A 45 -8.171 1.501 1.557 1.00 0.00 C ATOM 686 C GLU A 45 -6.673 1.689 1.784 1.00 0.00 C ATOM 687 O GLU A 45 -6.251 2.192 2.825 1.00 0.00 O ATOM 688 CB GLU A 45 -8.516 0.010 1.569 1.00 0.00 C ATOM 689 CG GLU A 45 -10.005 -0.270 1.462 1.00 0.00 C ATOM 690 CD GLU A 45 -10.753 0.056 2.740 1.00 0.00 C ATOM 691 OE1 GLU A 45 -11.087 1.242 2.945 1.00 0.00 O ATOM 692 OE2 GLU A 45 -11.005 -0.874 3.535 1.00 0.00 O ATOM 0 H GLU A 45 -9.102 1.484 -0.322 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.709 1.998 2.364 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.002 -0.480 0.742 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.136 -0.435 2.489 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.423 0.314 0.642 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.157 -1.321 1.215 1.00 0.00 H new ATOM 699 N ALA A 46 -5.876 1.282 0.802 1.00 0.00 N ATOM 700 CA ALA A 46 -4.427 1.406 0.894 1.00 0.00 C ATOM 701 C ALA A 46 -4.022 2.815 1.315 1.00 0.00 C ATOM 702 O ALA A 46 -3.163 2.993 2.178 1.00 0.00 O ATOM 703 CB ALA A 46 -3.781 1.045 -0.436 1.00 0.00 C ATOM 0 H ALA A 46 -6.209 0.864 -0.066 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.076 0.712 1.657 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.699 1.142 -0.353 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.034 0.017 -0.696 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.147 1.717 -1.212 1.00 0.00 H new ATOM 709 N VAL A 47 -4.647 3.814 0.699 1.00 0.00 N ATOM 710 CA VAL A 47 -4.352 5.207 1.011 1.00 0.00 C ATOM 711 C VAL A 47 -4.225 5.419 2.516 1.00 0.00 C ATOM 712 O VAL A 47 -3.326 6.120 2.981 1.00 0.00 O ATOM 713 CB VAL A 47 -5.441 6.148 0.461 1.00 0.00 C ATOM 714 CG1 VAL A 47 -5.129 7.593 0.819 1.00 0.00 C ATOM 715 CG2 VAL A 47 -5.578 5.981 -1.045 1.00 0.00 C ATOM 0 H VAL A 47 -5.360 3.684 -0.018 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.402 5.444 0.533 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.393 5.882 0.921 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.909 8.243 0.422 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.086 7.698 1.903 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.168 7.875 0.389 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.351 6.653 -1.417 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.629 6.219 -1.525 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.852 4.951 -1.273 1.00 0.00 H new ATOM 725 N ASP A 48 -5.131 4.809 3.272 1.00 0.00 N ATOM 726 CA ASP A 48 -5.121 4.929 4.725 1.00 0.00 C ATOM 727 C ASP A 48 -3.988 4.105 5.330 1.00 0.00 C ATOM 728 O ASP A 48 -3.109 4.642 6.004 1.00 0.00 O ATOM 729 CB ASP A 48 -6.462 4.478 5.305 1.00 0.00 C ATOM 730 CG ASP A 48 -6.649 4.920 6.743 1.00 0.00 C ATOM 731 OD1 ASP A 48 -6.420 6.114 7.031 1.00 0.00 O ATOM 732 OD2 ASP A 48 -7.026 4.074 7.580 1.00 0.00 O ATOM 0 H ASP A 48 -5.882 4.226 2.902 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.959 5.977 4.977 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.272 4.880 4.696 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.531 3.392 5.250 1.00 0.00 H new ATOM 737 N TRP A 49 -4.017 2.800 5.085 1.00 0.00 N ATOM 738 CA TRP A 49 -2.992 1.902 5.607 1.00 0.00 C ATOM 739 C TRP A 49 -1.601 2.498 5.423 1.00 0.00 C ATOM 740 O TRP A 49 -0.869 2.702 6.392 1.00 0.00 O ATOM 741 CB TRP A 49 -3.075 0.543 4.911 1.00 0.00 C ATOM 742 CG TRP A 49 -1.776 -0.205 4.914 1.00 0.00 C ATOM 743 CD1 TRP A 49 -1.269 -0.972 3.903 1.00 0.00 C ATOM 744 CD2 TRP A 49 -0.820 -0.259 5.978 1.00 0.00 C ATOM 745 NE1 TRP A 49 -0.056 -1.499 4.275 1.00 0.00 N ATOM 746 CE2 TRP A 49 0.242 -1.076 5.544 1.00 0.00 C ATOM 747 CE3 TRP A 49 -0.757 0.304 7.255 1.00 0.00 C ATOM 748 CZ2 TRP A 49 1.351 -1.342 6.342 1.00 0.00 C ATOM 749 CZ3 TRP A 49 0.344 0.039 8.047 1.00 0.00 C ATOM 750 CH2 TRP A 49 1.386 -0.778 7.588 1.00 0.00 C ATOM 0 H TRP A 49 -4.738 2.340 4.529 1.00 0.00 H new ATOM 0 HA TRP A 49 -3.170 1.768 6.674 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -3.836 -0.063 5.402 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -3.400 0.689 3.881 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -1.751 -1.139 2.951 1.00 0.00 H new ATOM 0 HE1 TRP A 49 0.528 -2.106 3.700 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -1.555 0.935 7.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 2.155 -1.971 5.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 0.402 0.469 9.036 1.00 0.00 H new ATOM 0 HH2 TRP A 49 2.233 -0.966 8.231 1.00 0.00 H new ATOM 761 N LEU A 50 -1.242 2.776 4.175 1.00 0.00 N ATOM 762 CA LEU A 50 0.063 3.349 3.864 1.00 0.00 C ATOM 763 C LEU A 50 0.249 4.691 4.565 1.00 0.00 C ATOM 764 O LEU A 50 1.246 4.910 5.254 1.00 0.00 O ATOM 765 CB LEU A 50 0.218 3.525 2.352 1.00 0.00 C ATOM 766 CG LEU A 50 1.485 4.244 1.886 1.00 0.00 C ATOM 767 CD1 LEU A 50 2.720 3.428 2.233 1.00 0.00 C ATOM 768 CD2 LEU A 50 1.425 4.514 0.390 1.00 0.00 C ATOM 0 H LEU A 50 -1.836 2.614 3.362 1.00 0.00 H new ATOM 0 HA LEU A 50 0.829 2.662 4.224 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.192 2.539 1.887 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.646 4.076 1.980 1.00 0.00 H new ATOM 0 HG LEU A 50 1.549 5.200 2.405 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.612 3.955 1.894 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.771 3.286 3.313 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.664 2.457 1.742 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.335 5.026 0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.336 3.570 -0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.561 5.140 0.168 1.00 0.00 H new ATOM 780 N TYR A 51 -0.717 5.585 4.386 1.00 0.00 N ATOM 781 CA TYR A 51 -0.660 6.906 5.001 1.00 0.00 C ATOM 782 C TYR A 51 -0.234 6.808 6.463 1.00 0.00 C ATOM 783 O TYR A 51 0.837 7.281 6.842 1.00 0.00 O ATOM 784 CB TYR A 51 -2.020 7.598 4.899 1.00 0.00 C ATOM 785 CG TYR A 51 -2.176 8.768 5.844 1.00 0.00 C ATOM 786 CD1 TYR A 51 -1.758 10.042 5.478 1.00 0.00 C ATOM 787 CD2 TYR A 51 -2.740 8.601 7.102 1.00 0.00 C ATOM 788 CE1 TYR A 51 -1.897 11.114 6.337 1.00 0.00 C ATOM 789 CE2 TYR A 51 -2.885 9.668 7.968 1.00 0.00 C ATOM 790 CZ TYR A 51 -2.462 10.922 7.581 1.00 0.00 C ATOM 791 OH TYR A 51 -2.603 11.987 8.441 1.00 0.00 O ATOM 0 H TYR A 51 -1.549 5.419 3.820 1.00 0.00 H new ATOM 0 HA TYR A 51 0.082 7.497 4.464 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.166 7.946 3.876 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.805 6.870 5.103 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.317 10.196 4.504 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -3.071 7.620 7.409 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.565 12.097 6.037 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.327 9.521 8.942 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.019 11.682 9.274 1.00 0.00 H new ATOM 801 N ASP A 52 -1.081 6.190 7.278 1.00 0.00 N ATOM 802 CA ASP A 52 -0.793 6.028 8.699 1.00 0.00 C ATOM 803 C ASP A 52 0.671 5.660 8.918 1.00 0.00 C ATOM 804 O ASP A 52 1.326 6.186 9.820 1.00 0.00 O ATOM 805 CB ASP A 52 -1.698 4.954 9.304 1.00 0.00 C ATOM 806 CG ASP A 52 -1.860 5.111 10.804 1.00 0.00 C ATOM 807 OD1 ASP A 52 -2.385 6.157 11.238 1.00 0.00 O ATOM 808 OD2 ASP A 52 -1.461 4.187 11.543 1.00 0.00 O ATOM 0 H ASP A 52 -1.972 5.793 6.980 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.988 6.979 9.195 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.678 4.999 8.829 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.284 3.969 9.087 1.00 0.00 H new ATOM 813 N LEU A 53 1.179 4.754 8.090 1.00 0.00 N ATOM 814 CA LEU A 53 2.566 4.315 8.193 1.00 0.00 C ATOM 815 C LEU A 53 3.524 5.461 7.884 1.00 0.00 C ATOM 816 O LEU A 53 4.492 5.688 8.611 1.00 0.00 O ATOM 817 CB LEU A 53 2.824 3.147 7.240 1.00 0.00 C ATOM 818 CG LEU A 53 4.174 2.445 7.389 1.00 0.00 C ATOM 819 CD1 LEU A 53 4.074 1.301 8.385 1.00 0.00 C ATOM 820 CD2 LEU A 53 4.664 1.939 6.040 1.00 0.00 C ATOM 0 H LEU A 53 0.651 4.309 7.339 1.00 0.00 H new ATOM 0 HA LEU A 53 2.742 3.985 9.217 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.035 2.408 7.381 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.738 3.513 6.217 1.00 0.00 H new ATOM 0 HG LEU A 53 4.897 3.167 7.768 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.044 0.813 8.478 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.769 1.690 9.356 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.337 0.578 8.036 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.626 1.442 6.165 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.941 1.232 5.632 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.776 2.779 5.355 1.00 0.00 H new ATOM 832 N LEU A 54 3.248 6.180 6.802 1.00 0.00 N ATOM 833 CA LEU A 54 4.084 7.305 6.397 1.00 0.00 C ATOM 834 C LEU A 54 4.168 8.349 7.506 1.00 0.00 C ATOM 835 O LEU A 54 5.258 8.749 7.915 1.00 0.00 O ATOM 836 CB LEU A 54 3.532 7.943 5.121 1.00 0.00 C ATOM 837 CG LEU A 54 3.607 7.087 3.856 1.00 0.00 C ATOM 838 CD1 LEU A 54 2.734 7.678 2.760 1.00 0.00 C ATOM 839 CD2 LEU A 54 5.047 6.959 3.383 1.00 0.00 C ATOM 0 H LEU A 54 2.452 6.004 6.189 1.00 0.00 H new ATOM 0 HA LEU A 54 5.088 6.928 6.202 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.489 8.210 5.294 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.073 8.872 4.940 1.00 0.00 H new ATOM 0 HG LEU A 54 3.234 6.090 4.092 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.800 7.056 1.867 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.699 7.716 3.100 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.077 8.686 2.526 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.081 6.347 2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.447 7.949 3.164 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.646 6.490 4.163 1.00 0.00 H new ATOM 851 N ARG A 55 3.009 8.785 7.990 1.00 0.00 N ATOM 852 CA ARG A 55 2.951 9.781 9.053 1.00 0.00 C ATOM 853 C ARG A 55 3.600 9.253 10.329 1.00 0.00 C ATOM 854 O ARG A 55 4.280 9.990 11.042 1.00 0.00 O ATOM 855 CB ARG A 55 1.500 10.177 9.331 1.00 0.00 C ATOM 856 CG ARG A 55 0.669 9.058 9.938 1.00 0.00 C ATOM 857 CD ARG A 55 -0.678 9.567 10.427 1.00 0.00 C ATOM 858 NE ARG A 55 -0.624 10.003 11.820 1.00 0.00 N ATOM 859 CZ ARG A 55 -0.732 9.175 12.854 1.00 0.00 C ATOM 860 NH1 ARG A 55 -0.897 7.875 12.652 1.00 0.00 N ATOM 861 NH2 ARG A 55 -0.674 9.648 14.092 1.00 0.00 N ATOM 0 H ARG A 55 2.098 8.464 7.663 1.00 0.00 H new ATOM 0 HA ARG A 55 3.503 10.661 8.723 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.489 11.033 10.005 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.035 10.499 8.399 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.516 8.274 9.197 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.213 8.609 10.769 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -1.002 10.397 9.799 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -1.423 8.779 10.322 1.00 0.00 H new ATOM 0 HE ARG A 55 -0.496 10.997 12.010 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -0.941 7.508 11.701 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -0.980 7.242 13.447 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.546 10.647 14.251 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -0.757 9.012 14.885 1.00 0.00 H new ATOM 875 N ASN A 56 3.383 7.972 10.611 1.00 0.00 N ATOM 876 CA ASN A 56 3.945 7.346 11.801 1.00 0.00 C ATOM 877 C ASN A 56 5.466 7.469 11.815 1.00 0.00 C ATOM 878 O ASN A 56 6.088 7.484 12.876 1.00 0.00 O ATOM 879 CB ASN A 56 3.541 5.871 11.867 1.00 0.00 C ATOM 880 CG ASN A 56 2.231 5.663 12.600 1.00 0.00 C ATOM 881 OD1 ASN A 56 1.280 5.107 12.050 1.00 0.00 O ATOM 882 ND2 ASN A 56 2.175 6.110 13.850 1.00 0.00 N ATOM 0 H ASN A 56 2.822 7.348 10.031 1.00 0.00 H new ATOM 0 HA ASN A 56 3.548 7.864 12.674 1.00 0.00 H new ATOM 0 HB2 ASN A 56 3.455 5.475 10.855 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.327 5.304 12.365 1.00 0.00 H new ATOM 0 HD21 ASN A 56 1.319 5.998 14.394 1.00 0.00 H new ATOM 0 HD22 ASN A 56 2.988 6.565 14.266 1.00 0.00 H new ATOM 889 N ASN A 57 6.057 7.558 10.628 1.00 0.00 N ATOM 890 CA ASN A 57 7.505 7.680 10.502 1.00 0.00 C ATOM 891 C ASN A 57 7.954 9.116 10.757 1.00 0.00 C ATOM 892 O ASN A 57 7.150 10.046 10.708 1.00 0.00 O ATOM 893 CB ASN A 57 7.957 7.232 9.111 1.00 0.00 C ATOM 894 CG ASN A 57 9.400 6.768 9.093 1.00 0.00 C ATOM 895 OD1 ASN A 57 10.065 6.733 10.128 1.00 0.00 O ATOM 896 ND2 ASN A 57 9.892 6.410 7.912 1.00 0.00 N ATOM 0 H ASN A 57 5.556 7.548 9.740 1.00 0.00 H new ATOM 0 HA ASN A 57 7.965 7.035 11.251 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.314 6.422 8.766 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.835 8.057 8.409 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.858 6.090 7.838 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.304 6.455 7.080 1.00 0.00 H new ATOM 903 N SER A 58 9.243 9.287 11.030 1.00 0.00 N ATOM 904 CA SER A 58 9.799 10.608 11.296 1.00 0.00 C ATOM 905 C SER A 58 10.171 11.313 9.995 1.00 0.00 C ATOM 906 O SER A 58 9.689 12.409 9.710 1.00 0.00 O ATOM 907 CB SER A 58 11.030 10.495 12.198 1.00 0.00 C ATOM 908 OG SER A 58 11.251 11.698 12.913 1.00 0.00 O ATOM 0 H SER A 58 9.922 8.527 11.073 1.00 0.00 H new ATOM 0 HA SER A 58 9.038 11.199 11.805 1.00 0.00 H new ATOM 0 HB2 SER A 58 10.897 9.671 12.899 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.907 10.261 11.594 1.00 0.00 H new ATOM 0 HG SER A 58 12.042 11.599 13.483 1.00 0.00 H new ATOM 914 N ASN A 59 11.033 10.676 9.209 1.00 0.00 N ATOM 915 CA ASN A 59 11.471 11.241 7.938 1.00 0.00 C ATOM 916 C ASN A 59 10.343 12.022 7.272 1.00 0.00 C ATOM 917 O ASN A 59 10.544 13.137 6.791 1.00 0.00 O ATOM 918 CB ASN A 59 11.960 10.132 7.004 1.00 0.00 C ATOM 919 CG ASN A 59 13.369 9.677 7.334 1.00 0.00 C ATOM 920 OD1 ASN A 59 14.342 10.368 7.033 1.00 0.00 O ATOM 921 ND2 ASN A 59 13.483 8.509 7.956 1.00 0.00 N ATOM 0 H ASN A 59 11.442 9.768 9.430 1.00 0.00 H new ATOM 0 HA ASN A 59 12.294 11.927 8.139 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.282 9.281 7.069 1.00 0.00 H new ATOM 0 HB3 ASN A 59 11.928 10.488 5.974 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.405 8.151 8.204 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.648 7.970 8.186 1.00 0.00 H new ATOM 928 N PHE A 60 9.154 11.428 7.248 1.00 0.00 N ATOM 929 CA PHE A 60 7.992 12.067 6.641 1.00 0.00 C ATOM 930 C PHE A 60 7.212 12.873 7.676 1.00 0.00 C ATOM 931 O PHE A 60 6.733 13.970 7.392 1.00 0.00 O ATOM 932 CB PHE A 60 7.081 11.016 6.003 1.00 0.00 C ATOM 933 CG PHE A 60 7.726 10.272 4.870 1.00 0.00 C ATOM 934 CD1 PHE A 60 8.570 9.201 5.118 1.00 0.00 C ATOM 935 CD2 PHE A 60 7.489 10.642 3.556 1.00 0.00 C ATOM 936 CE1 PHE A 60 9.166 8.515 4.077 1.00 0.00 C ATOM 937 CE2 PHE A 60 8.082 9.960 2.510 1.00 0.00 C ATOM 938 CZ PHE A 60 8.921 8.894 2.771 1.00 0.00 C ATOM 0 H PHE A 60 8.970 10.505 7.642 1.00 0.00 H new ATOM 0 HA PHE A 60 8.346 12.749 5.867 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.773 10.302 6.767 1.00 0.00 H new ATOM 0 HB3 PHE A 60 6.177 11.504 5.639 1.00 0.00 H new ATOM 0 HD1 PHE A 60 8.764 8.899 6.137 1.00 0.00 H new ATOM 0 HD2 PHE A 60 6.833 11.474 3.346 1.00 0.00 H new ATOM 0 HE1 PHE A 60 9.823 7.683 4.284 1.00 0.00 H new ATOM 0 HE2 PHE A 60 7.890 10.260 1.490 1.00 0.00 H new ATOM 0 HZ PHE A 60 9.384 8.358 1.956 1.00 0.00 H new ATOM 948 N GLY A 61 7.088 12.319 8.878 1.00 0.00 N ATOM 949 CA GLY A 61 6.365 12.998 9.937 1.00 0.00 C ATOM 950 C GLY A 61 4.878 13.091 9.656 1.00 0.00 C ATOM 951 O GLY A 61 4.393 12.654 8.613 1.00 0.00 O ATOM 0 H GLY A 61 7.475 11.412 9.137 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.522 12.469 10.877 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.771 14.001 10.065 1.00 0.00 H new ATOM 955 N PRO A 62 4.128 13.673 10.604 1.00 0.00 N ATOM 956 CA PRO A 62 2.677 13.834 10.477 1.00 0.00 C ATOM 957 C PRO A 62 2.299 14.858 9.412 1.00 0.00 C ATOM 958 O PRO A 62 1.118 15.106 9.169 1.00 0.00 O ATOM 959 CB PRO A 62 2.252 14.323 11.864 1.00 0.00 C ATOM 960 CG PRO A 62 3.466 14.980 12.423 1.00 0.00 C ATOM 961 CD PRO A 62 4.640 14.217 11.873 1.00 0.00 C ATOM 0 HA PRO A 62 2.189 12.909 10.168 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.418 15.022 11.799 1.00 0.00 H new ATOM 0 HB3 PRO A 62 1.925 13.495 12.493 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.511 16.029 12.131 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.458 14.952 13.513 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.502 14.865 11.714 1.00 0.00 H new ATOM 0 HD3 PRO A 62 4.958 13.425 12.551 1.00 0.00 H new ATOM 969 N GLU A 63 3.308 15.449 8.781 1.00 0.00 N ATOM 970 CA GLU A 63 3.080 16.447 7.742 1.00 0.00 C ATOM 971 C GLU A 63 2.510 15.800 6.483 1.00 0.00 C ATOM 972 O GLU A 63 1.719 16.409 5.763 1.00 0.00 O ATOM 973 CB GLU A 63 4.383 17.176 7.409 1.00 0.00 C ATOM 974 CG GLU A 63 4.883 18.072 8.530 1.00 0.00 C ATOM 975 CD GLU A 63 4.282 19.463 8.478 1.00 0.00 C ATOM 976 OE1 GLU A 63 3.801 19.861 7.397 1.00 0.00 O ATOM 977 OE2 GLU A 63 4.292 20.152 9.519 1.00 0.00 O ATOM 0 H GLU A 63 4.291 15.254 8.971 1.00 0.00 H new ATOM 0 HA GLU A 63 2.355 17.168 8.119 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.151 16.440 7.174 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.234 17.778 6.513 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.645 17.613 9.490 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.969 18.147 8.473 1.00 0.00 H new ATOM 984 N VAL A 64 2.918 14.562 6.224 1.00 0.00 N ATOM 985 CA VAL A 64 2.448 13.831 5.053 1.00 0.00 C ATOM 986 C VAL A 64 0.928 13.711 5.053 1.00 0.00 C ATOM 987 O VAL A 64 0.329 13.271 6.035 1.00 0.00 O ATOM 988 CB VAL A 64 3.063 12.421 4.987 1.00 0.00 C ATOM 989 CG1 VAL A 64 2.549 11.560 6.131 1.00 0.00 C ATOM 990 CG2 VAL A 64 2.765 11.772 3.644 1.00 0.00 C ATOM 0 H VAL A 64 3.573 14.044 6.809 1.00 0.00 H new ATOM 0 HA VAL A 64 2.765 14.399 4.178 1.00 0.00 H new ATOM 0 HB VAL A 64 4.145 12.510 5.089 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.995 10.567 6.068 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.819 12.019 7.082 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.464 11.476 6.064 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.207 10.776 3.615 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.686 11.694 3.509 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.188 12.380 2.844 1.00 0.00 H new ATOM 1000 N THR A 65 0.309 14.105 3.945 1.00 0.00 N ATOM 1001 CA THR A 65 -1.142 14.043 3.817 1.00 0.00 C ATOM 1002 C THR A 65 -1.554 13.123 2.673 1.00 0.00 C ATOM 1003 O THR A 65 -0.725 12.729 1.852 1.00 0.00 O ATOM 1004 CB THR A 65 -1.746 15.440 3.579 1.00 0.00 C ATOM 1005 OG1 THR A 65 -3.173 15.381 3.684 1.00 0.00 O ATOM 1006 CG2 THR A 65 -1.354 15.973 2.209 1.00 0.00 C ATOM 0 H THR A 65 0.790 14.471 3.123 1.00 0.00 H new ATOM 0 HA THR A 65 -1.525 13.645 4.757 1.00 0.00 H new ATOM 0 HB THR A 65 -1.354 16.116 4.339 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.549 16.273 3.533 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.792 16.960 2.064 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.268 16.045 2.143 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.720 15.296 1.437 1.00 0.00 H new ATOM 1014 N ARG A 66 -2.838 12.784 2.625 1.00 0.00 N ATOM 1015 CA ARG A 66 -3.359 11.910 1.582 1.00 0.00 C ATOM 1016 C ARG A 66 -2.662 12.176 0.251 1.00 0.00 C ATOM 1017 O ARG A 66 -2.142 11.257 -0.382 1.00 0.00 O ATOM 1018 CB ARG A 66 -4.868 12.107 1.427 1.00 0.00 C ATOM 1019 CG ARG A 66 -5.676 11.570 2.597 1.00 0.00 C ATOM 1020 CD ARG A 66 -7.004 12.296 2.738 1.00 0.00 C ATOM 1021 NE ARG A 66 -6.847 13.608 3.361 1.00 0.00 N ATOM 1022 CZ ARG A 66 -6.798 13.796 4.675 1.00 0.00 C ATOM 1023 NH1 ARG A 66 -6.893 12.762 5.500 1.00 0.00 N ATOM 1024 NH2 ARG A 66 -6.654 15.020 5.167 1.00 0.00 N ATOM 0 H ARG A 66 -3.537 13.102 3.297 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.162 10.879 1.876 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.077 13.170 1.310 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.198 11.615 0.512 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.856 10.504 2.457 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.102 11.678 3.517 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.459 12.414 1.755 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.687 11.691 3.335 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.771 14.424 2.754 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.004 11.820 5.126 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.855 12.909 6.509 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -6.581 15.818 4.536 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.617 15.163 6.176 1.00 0.00 H new ATOM 1038 N GLN A 67 -2.656 13.438 -0.166 1.00 0.00 N ATOM 1039 CA GLN A 67 -2.024 13.824 -1.422 1.00 0.00 C ATOM 1040 C GLN A 67 -0.637 13.201 -1.547 1.00 0.00 C ATOM 1041 O GLN A 67 -0.347 12.500 -2.516 1.00 0.00 O ATOM 1042 CB GLN A 67 -1.923 15.347 -1.520 1.00 0.00 C ATOM 1043 CG GLN A 67 -1.744 15.855 -2.942 1.00 0.00 C ATOM 1044 CD GLN A 67 -1.554 17.357 -3.005 1.00 0.00 C ATOM 1045 OE1 GLN A 67 -2.421 18.084 -3.490 1.00 0.00 O ATOM 1046 NE2 GLN A 67 -0.415 17.832 -2.513 1.00 0.00 N ATOM 0 H GLN A 67 -3.081 14.210 0.347 1.00 0.00 H new ATOM 0 HA GLN A 67 -2.643 13.455 -2.240 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.824 15.791 -1.095 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.084 15.687 -0.913 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -0.882 15.364 -3.393 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.615 15.578 -3.535 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.277 17.193 -2.120 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -0.232 18.835 -2.528 1.00 0.00 H new ATOM 1055 N GLN A 68 0.215 13.464 -0.562 1.00 0.00 N ATOM 1056 CA GLN A 68 1.572 12.930 -0.563 1.00 0.00 C ATOM 1057 C GLN A 68 1.557 11.406 -0.587 1.00 0.00 C ATOM 1058 O GLN A 68 2.362 10.777 -1.275 1.00 0.00 O ATOM 1059 CB GLN A 68 2.339 13.425 0.665 1.00 0.00 C ATOM 1060 CG GLN A 68 2.766 14.881 0.569 1.00 0.00 C ATOM 1061 CD GLN A 68 3.936 15.207 1.477 1.00 0.00 C ATOM 1062 OE1 GLN A 68 3.756 15.728 2.578 1.00 0.00 O ATOM 1063 NE2 GLN A 68 5.144 14.900 1.019 1.00 0.00 N ATOM 0 H GLN A 68 -0.010 14.043 0.247 1.00 0.00 H new ATOM 0 HA GLN A 68 2.074 13.285 -1.463 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.715 13.295 1.549 1.00 0.00 H new ATOM 0 HB3 GLN A 68 3.224 12.804 0.805 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.036 15.109 -0.462 1.00 0.00 H new ATOM 0 HG3 GLN A 68 1.922 15.521 0.826 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.247 14.469 0.100 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.969 15.095 1.586 1.00 0.00 H new ATOM 1072 N THR A 69 0.637 10.815 0.169 1.00 0.00 N ATOM 1073 CA THR A 69 0.518 9.364 0.236 1.00 0.00 C ATOM 1074 C THR A 69 0.281 8.768 -1.147 1.00 0.00 C ATOM 1075 O THR A 69 0.969 7.832 -1.555 1.00 0.00 O ATOM 1076 CB THR A 69 -0.630 8.937 1.170 1.00 0.00 C ATOM 1077 OG1 THR A 69 -0.386 9.418 2.497 1.00 0.00 O ATOM 1078 CG2 THR A 69 -0.774 7.423 1.193 1.00 0.00 C ATOM 0 H THR A 69 -0.037 11.320 0.744 1.00 0.00 H new ATOM 0 HA THR A 69 1.460 8.987 0.635 1.00 0.00 H new ATOM 0 HB THR A 69 -1.557 9.369 0.792 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.637 10.364 2.554 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.591 7.145 1.859 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.988 7.063 0.187 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.153 6.975 1.549 1.00 0.00 H new ATOM 1086 N ILE A 70 -0.695 9.316 -1.863 1.00 0.00 N ATOM 1087 CA ILE A 70 -1.020 8.839 -3.201 1.00 0.00 C ATOM 1088 C ILE A 70 0.183 8.949 -4.132 1.00 0.00 C ATOM 1089 O ILE A 70 0.395 8.093 -4.990 1.00 0.00 O ATOM 1090 CB ILE A 70 -2.198 9.624 -3.808 1.00 0.00 C ATOM 1091 CG1 ILE A 70 -3.439 9.489 -2.923 1.00 0.00 C ATOM 1092 CG2 ILE A 70 -2.491 9.133 -5.218 1.00 0.00 C ATOM 1093 CD1 ILE A 70 -4.558 10.432 -3.305 1.00 0.00 C ATOM 0 H ILE A 70 -1.274 10.090 -1.539 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.305 7.792 -3.102 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.925 10.678 -3.860 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.804 8.463 -2.977 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.158 9.673 -1.886 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.326 9.697 -5.634 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.610 9.275 -5.843 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.748 8.074 -5.189 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.405 10.281 -2.636 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.210 11.462 -3.223 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.867 10.234 -4.331 1.00 0.00 H new ATOM 1105 N GLN A 71 0.967 10.007 -3.954 1.00 0.00 N ATOM 1106 CA GLN A 71 2.150 10.228 -4.777 1.00 0.00 C ATOM 1107 C GLN A 71 3.088 9.027 -4.716 1.00 0.00 C ATOM 1108 O GLN A 71 3.607 8.578 -5.739 1.00 0.00 O ATOM 1109 CB GLN A 71 2.886 11.489 -4.322 1.00 0.00 C ATOM 1110 CG GLN A 71 2.115 12.772 -4.588 1.00 0.00 C ATOM 1111 CD GLN A 71 3.018 13.987 -4.678 1.00 0.00 C ATOM 1112 OE1 GLN A 71 4.219 13.903 -4.418 1.00 0.00 O ATOM 1113 NE2 GLN A 71 2.444 15.126 -5.049 1.00 0.00 N ATOM 0 H GLN A 71 0.804 10.724 -3.247 1.00 0.00 H new ATOM 0 HA GLN A 71 1.824 10.359 -5.809 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.093 11.414 -3.254 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.849 11.541 -4.830 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.556 12.669 -5.518 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.385 12.924 -3.793 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.445 15.150 -5.255 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.002 15.976 -5.128 1.00 0.00 H new ATOM 1122 N LEU A 72 3.303 8.512 -3.510 1.00 0.00 N ATOM 1123 CA LEU A 72 4.179 7.362 -3.315 1.00 0.00 C ATOM 1124 C LEU A 72 3.527 6.085 -3.835 1.00 0.00 C ATOM 1125 O LEU A 72 4.207 5.187 -4.333 1.00 0.00 O ATOM 1126 CB LEU A 72 4.524 7.205 -1.833 1.00 0.00 C ATOM 1127 CG LEU A 72 5.308 5.948 -1.455 1.00 0.00 C ATOM 1128 CD1 LEU A 72 6.722 6.014 -2.012 1.00 0.00 C ATOM 1129 CD2 LEU A 72 5.336 5.770 0.056 1.00 0.00 C ATOM 0 H LEU A 72 2.883 8.872 -2.653 1.00 0.00 H new ATOM 0 HA LEU A 72 5.095 7.535 -3.879 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.100 8.076 -1.521 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.596 7.215 -1.262 1.00 0.00 H new ATOM 0 HG LEU A 72 4.806 5.085 -1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.265 5.111 -1.733 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.682 6.092 -3.098 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.233 6.886 -1.604 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.898 4.870 0.306 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.813 6.636 0.516 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.317 5.676 0.430 1.00 0.00 H new ATOM 1141 N LEU A 73 2.206 6.012 -3.718 1.00 0.00 N ATOM 1142 CA LEU A 73 1.461 4.845 -4.179 1.00 0.00 C ATOM 1143 C LEU A 73 1.757 4.555 -5.647 1.00 0.00 C ATOM 1144 O LEU A 73 1.915 3.400 -6.042 1.00 0.00 O ATOM 1145 CB LEU A 73 -0.040 5.065 -3.984 1.00 0.00 C ATOM 1146 CG LEU A 73 -0.916 3.813 -4.051 1.00 0.00 C ATOM 1147 CD1 LEU A 73 -0.895 3.075 -2.722 1.00 0.00 C ATOM 1148 CD2 LEU A 73 -2.341 4.180 -4.437 1.00 0.00 C ATOM 0 H LEU A 73 1.629 6.746 -3.308 1.00 0.00 H new ATOM 0 HA LEU A 73 1.777 3.986 -3.587 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.194 5.541 -3.016 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.386 5.767 -4.743 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.512 3.151 -4.817 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.524 2.187 -2.789 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.127 2.779 -2.486 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.273 3.729 -1.937 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.950 3.277 -4.480 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.755 4.862 -3.694 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.340 4.664 -5.414 1.00 0.00 H new ATOM 1160 N ARG A 74 1.833 5.611 -6.450 1.00 0.00 N ATOM 1161 CA ARG A 74 2.112 5.470 -7.874 1.00 0.00 C ATOM 1162 C ARG A 74 3.409 4.699 -8.101 1.00 0.00 C ATOM 1163 O ARG A 74 3.449 3.742 -8.873 1.00 0.00 O ATOM 1164 CB ARG A 74 2.201 6.846 -8.537 1.00 0.00 C ATOM 1165 CG ARG A 74 0.920 7.658 -8.430 1.00 0.00 C ATOM 1166 CD ARG A 74 1.193 9.148 -8.556 1.00 0.00 C ATOM 1167 NE ARG A 74 0.077 9.859 -9.173 1.00 0.00 N ATOM 1168 CZ ARG A 74 -0.147 11.158 -9.011 1.00 0.00 C ATOM 1169 NH1 ARG A 74 0.666 11.885 -8.256 1.00 0.00 N ATOM 1170 NH2 ARG A 74 -1.185 11.733 -9.605 1.00 0.00 N ATOM 0 H ARG A 74 1.705 6.574 -6.139 1.00 0.00 H new ATOM 0 HA ARG A 74 1.293 4.909 -8.325 1.00 0.00 H new ATOM 0 HB2 ARG A 74 3.016 7.408 -8.081 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.453 6.717 -9.590 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.225 7.347 -9.210 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.438 7.455 -7.474 1.00 0.00 H new ATOM 0 HD2 ARG A 74 1.387 9.566 -7.568 1.00 0.00 H new ATOM 0 HD3 ARG A 74 2.094 9.302 -9.150 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.566 9.329 -9.761 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.465 11.447 -7.798 1.00 0.00 H new ATOM 0 HH12 ARG A 74 0.492 12.882 -8.133 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -1.812 11.177 -10.187 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.356 12.731 -9.480 1.00 0.00 H new ATOM 1184 N LYS A 75 4.469 5.124 -7.422 1.00 0.00 N ATOM 1185 CA LYS A 75 5.769 4.475 -7.547 1.00 0.00 C ATOM 1186 C LYS A 75 5.636 2.961 -7.412 1.00 0.00 C ATOM 1187 O LYS A 75 6.023 2.211 -8.309 1.00 0.00 O ATOM 1188 CB LYS A 75 6.734 5.010 -6.486 1.00 0.00 C ATOM 1189 CG LYS A 75 7.534 6.216 -6.945 1.00 0.00 C ATOM 1190 CD LYS A 75 8.161 6.949 -5.771 1.00 0.00 C ATOM 1191 CE LYS A 75 8.682 8.317 -6.182 1.00 0.00 C ATOM 1192 NZ LYS A 75 9.461 8.965 -5.090 1.00 0.00 N ATOM 0 H LYS A 75 4.453 5.916 -6.779 1.00 0.00 H new ATOM 0 HA LYS A 75 6.166 4.701 -8.537 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.168 5.278 -5.594 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.423 4.215 -6.199 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.315 5.895 -7.634 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.884 6.897 -7.495 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.424 7.063 -4.976 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.979 6.354 -5.364 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.311 8.215 -7.066 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.844 8.957 -6.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.799 9.895 -5.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.854 9.085 -4.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.275 8.367 -4.843 1.00 0.00 H new ATOM 1206 N PHE A 76 5.086 2.518 -6.286 1.00 0.00 N ATOM 1207 CA PHE A 76 4.902 1.094 -6.034 1.00 0.00 C ATOM 1208 C PHE A 76 4.417 0.377 -7.291 1.00 0.00 C ATOM 1209 O PHE A 76 5.088 -0.517 -7.808 1.00 0.00 O ATOM 1210 CB PHE A 76 3.904 0.881 -4.894 1.00 0.00 C ATOM 1211 CG PHE A 76 4.424 1.312 -3.553 1.00 0.00 C ATOM 1212 CD1 PHE A 76 5.714 0.991 -3.160 1.00 0.00 C ATOM 1213 CD2 PHE A 76 3.625 2.038 -2.685 1.00 0.00 C ATOM 1214 CE1 PHE A 76 6.195 1.386 -1.926 1.00 0.00 C ATOM 1215 CE2 PHE A 76 4.100 2.436 -1.450 1.00 0.00 C ATOM 1216 CZ PHE A 76 5.388 2.110 -1.070 1.00 0.00 C ATOM 0 H PHE A 76 4.760 3.125 -5.534 1.00 0.00 H new ATOM 0 HA PHE A 76 5.866 0.674 -5.747 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.990 1.432 -5.114 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.636 -0.175 -4.849 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.350 0.426 -3.825 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.618 2.296 -2.977 1.00 0.00 H new ATOM 0 HE1 PHE A 76 7.202 1.129 -1.631 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.466 3.001 -0.783 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.763 2.421 -0.106 1.00 0.00 H new ATOM 1226 N LEU A 77 3.246 0.775 -7.776 1.00 0.00 N ATOM 1227 CA LEU A 77 2.669 0.172 -8.973 1.00 0.00 C ATOM 1228 C LEU A 77 3.713 0.049 -10.078 1.00 0.00 C ATOM 1229 O LEU A 77 3.763 -0.953 -10.792 1.00 0.00 O ATOM 1230 CB LEU A 77 1.483 1.002 -9.465 1.00 0.00 C ATOM 1231 CG LEU A 77 0.860 0.562 -10.790 1.00 0.00 C ATOM 1232 CD1 LEU A 77 0.259 -0.829 -10.662 1.00 0.00 C ATOM 1233 CD2 LEU A 77 -0.196 1.562 -11.241 1.00 0.00 C ATOM 0 H LEU A 77 2.678 1.512 -7.359 1.00 0.00 H new ATOM 0 HA LEU A 77 2.321 -0.828 -8.715 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.709 0.983 -8.698 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.807 2.038 -9.565 1.00 0.00 H new ATOM 0 HG LEU A 77 1.646 0.528 -11.545 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.180 -1.125 -11.615 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.039 -1.538 -10.386 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.514 -0.822 -9.893 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.629 1.233 -12.186 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.980 1.629 -10.486 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.264 2.541 -11.374 1.00 0.00 H new ATOM 1245 N LYS A 78 4.547 1.075 -10.214 1.00 0.00 N ATOM 1246 CA LYS A 78 5.593 1.082 -11.230 1.00 0.00 C ATOM 1247 C LYS A 78 6.697 0.090 -10.880 1.00 0.00 C ATOM 1248 O LYS A 78 7.295 -0.524 -11.763 1.00 0.00 O ATOM 1249 CB LYS A 78 6.182 2.487 -11.375 1.00 0.00 C ATOM 1250 CG LYS A 78 7.396 2.546 -12.286 1.00 0.00 C ATOM 1251 CD LYS A 78 8.685 2.332 -11.510 1.00 0.00 C ATOM 1252 CE LYS A 78 9.161 3.618 -10.854 1.00 0.00 C ATOM 1253 NZ LYS A 78 10.030 4.416 -11.762 1.00 0.00 N ATOM 0 H LYS A 78 4.519 1.913 -9.633 1.00 0.00 H new ATOM 0 HA LYS A 78 5.147 0.782 -12.178 1.00 0.00 H new ATOM 0 HB2 LYS A 78 5.414 3.156 -11.763 1.00 0.00 H new ATOM 0 HB3 LYS A 78 6.460 2.859 -10.389 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.307 1.786 -13.062 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.429 3.513 -12.788 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.529 1.569 -10.747 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.457 1.958 -12.182 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.299 4.216 -10.559 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.710 3.379 -9.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.333 5.285 -11.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.866 3.855 -12.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.498 4.666 -12.620 1.00 0.00 H new ATOM 1267 N ASN A 79 6.962 -0.063 -9.587 1.00 0.00 N ATOM 1268 CA ASN A 79 7.994 -0.982 -9.121 1.00 0.00 C ATOM 1269 C ASN A 79 7.453 -2.405 -9.025 1.00 0.00 C ATOM 1270 O ASN A 79 8.064 -3.273 -8.401 1.00 0.00 O ATOM 1271 CB ASN A 79 8.528 -0.534 -7.759 1.00 0.00 C ATOM 1272 CG ASN A 79 9.329 0.750 -7.845 1.00 0.00 C ATOM 1273 OD1 ASN A 79 10.551 0.723 -7.996 1.00 0.00 O ATOM 1274 ND2 ASN A 79 8.643 1.883 -7.750 1.00 0.00 N ATOM 0 H ASN A 79 6.476 0.438 -8.843 1.00 0.00 H new ATOM 0 HA ASN A 79 8.809 -0.971 -9.845 1.00 0.00 H new ATOM 0 HB2 ASN A 79 7.693 -0.392 -7.073 1.00 0.00 H new ATOM 0 HB3 ASN A 79 9.154 -1.322 -7.340 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.128 2.779 -7.802 1.00 0.00 H new ATOM 0 HD22 ASN A 79 7.631 1.858 -7.625 1.00 0.00 H new ATOM 1281 N HIS A 80 6.303 -2.638 -9.649 1.00 0.00 N ATOM 1282 CA HIS A 80 5.679 -3.957 -9.635 1.00 0.00 C ATOM 1283 C HIS A 80 5.450 -4.434 -8.204 1.00 0.00 C ATOM 1284 O HIS A 80 5.558 -5.625 -7.912 1.00 0.00 O ATOM 1285 CB HIS A 80 6.549 -4.963 -10.388 1.00 0.00 C ATOM 1286 CG HIS A 80 5.912 -6.310 -10.539 1.00 0.00 C ATOM 1287 ND1 HIS A 80 6.614 -7.437 -10.913 1.00 0.00 N ATOM 1288 CD2 HIS A 80 4.630 -6.708 -10.363 1.00 0.00 C ATOM 1289 CE1 HIS A 80 5.791 -8.469 -10.962 1.00 0.00 C ATOM 1290 NE2 HIS A 80 4.581 -8.054 -10.632 1.00 0.00 N ATOM 0 H HIS A 80 5.784 -1.931 -10.170 1.00 0.00 H new ATOM 0 HA HIS A 80 4.712 -3.881 -10.132 1.00 0.00 H new ATOM 0 HB2 HIS A 80 6.777 -4.565 -11.377 1.00 0.00 H new ATOM 0 HB3 HIS A 80 7.498 -5.075 -9.863 1.00 0.00 H new ATOM 0 HD1 HIS A 80 7.612 -7.469 -11.119 1.00 0.00 H new ATOM 0 HD2 HIS A 80 3.800 -6.083 -10.066 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.061 -9.480 -11.227 1.00 0.00 H new ATOM 1298 N VAL A 81 5.134 -3.497 -7.316 1.00 0.00 N ATOM 1299 CA VAL A 81 4.889 -3.823 -5.916 1.00 0.00 C ATOM 1300 C VAL A 81 3.426 -4.180 -5.682 1.00 0.00 C ATOM 1301 O VAL A 81 3.102 -4.959 -4.786 1.00 0.00 O ATOM 1302 CB VAL A 81 5.274 -2.652 -4.992 1.00 0.00 C ATOM 1303 CG1 VAL A 81 4.858 -2.943 -3.558 1.00 0.00 C ATOM 1304 CG2 VAL A 81 6.768 -2.376 -5.077 1.00 0.00 C ATOM 0 H VAL A 81 5.042 -2.506 -7.541 1.00 0.00 H new ATOM 0 HA VAL A 81 5.512 -4.685 -5.678 1.00 0.00 H new ATOM 0 HB VAL A 81 4.743 -1.760 -5.324 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.138 -2.104 -2.921 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.778 -3.087 -3.514 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.359 -3.847 -3.210 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.023 -1.546 -4.418 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.320 -3.265 -4.771 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.033 -2.119 -6.103 1.00 0.00 H new ATOM 1314 N ILE A 82 2.545 -3.604 -6.494 1.00 0.00 N ATOM 1315 CA ILE A 82 1.116 -3.863 -6.377 1.00 0.00 C ATOM 1316 C ILE A 82 0.457 -3.947 -7.750 1.00 0.00 C ATOM 1317 O ILE A 82 0.622 -3.056 -8.583 1.00 0.00 O ATOM 1318 CB ILE A 82 0.412 -2.772 -5.548 1.00 0.00 C ATOM 1319 CG1 ILE A 82 0.780 -1.384 -6.075 1.00 0.00 C ATOM 1320 CG2 ILE A 82 0.782 -2.902 -4.078 1.00 0.00 C ATOM 1321 CD1 ILE A 82 -0.124 -0.284 -5.564 1.00 0.00 C ATOM 0 H ILE A 82 2.796 -2.955 -7.240 1.00 0.00 H new ATOM 0 HA ILE A 82 1.010 -4.821 -5.867 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.666 -2.902 -5.644 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.808 -1.158 -5.793 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.743 -1.396 -7.164 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.277 -2.124 -3.505 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.474 -3.881 -3.711 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.861 -2.794 -3.963 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.196 0.672 -5.979 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.151 -0.486 -5.869 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.069 -0.244 -4.476 1.00 0.00 H new ATOM 1333 N GLU A 83 -0.290 -5.022 -7.978 1.00 0.00 N ATOM 1334 CA GLU A 83 -0.974 -5.221 -9.250 1.00 0.00 C ATOM 1335 C GLU A 83 -2.488 -5.143 -9.072 1.00 0.00 C ATOM 1336 O GLU A 83 -3.015 -5.462 -8.006 1.00 0.00 O ATOM 1337 CB GLU A 83 -0.590 -6.572 -9.856 1.00 0.00 C ATOM 1338 CG GLU A 83 -1.384 -7.739 -9.293 1.00 0.00 C ATOM 1339 CD GLU A 83 -1.012 -9.062 -9.935 1.00 0.00 C ATOM 1340 OE1 GLU A 83 -0.509 -9.045 -11.078 1.00 0.00 O ATOM 1341 OE2 GLU A 83 -1.222 -10.112 -9.294 1.00 0.00 O ATOM 0 H GLU A 83 -0.437 -5.768 -7.299 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.663 -4.426 -9.928 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -0.736 -6.531 -10.935 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.472 -6.749 -9.684 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.217 -7.802 -8.218 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -2.448 -7.554 -9.440 1.00 0.00 H new ATOM 1348 N ASP A 84 -3.180 -4.716 -10.122 1.00 0.00 N ATOM 1349 CA ASP A 84 -4.633 -4.596 -10.083 1.00 0.00 C ATOM 1350 C ASP A 84 -5.293 -5.971 -10.127 1.00 0.00 C ATOM 1351 O ASP A 84 -4.614 -6.993 -10.227 1.00 0.00 O ATOM 1352 CB ASP A 84 -5.127 -3.742 -11.252 1.00 0.00 C ATOM 1353 CG ASP A 84 -4.564 -4.201 -12.583 1.00 0.00 C ATOM 1354 OD1 ASP A 84 -3.323 -4.221 -12.726 1.00 0.00 O ATOM 1355 OD2 ASP A 84 -5.363 -4.539 -13.481 1.00 0.00 O ATOM 0 H ASP A 84 -2.758 -4.447 -11.011 1.00 0.00 H new ATOM 0 HA ASP A 84 -4.908 -4.110 -9.147 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -6.216 -3.778 -11.290 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -4.848 -2.702 -11.082 1.00 0.00 H new ATOM 1360 N ILE A 85 -6.619 -5.987 -10.050 1.00 0.00 N ATOM 1361 CA ILE A 85 -7.370 -7.236 -10.080 1.00 0.00 C ATOM 1362 C ILE A 85 -6.937 -8.110 -11.252 1.00 0.00 C ATOM 1363 O ILE A 85 -6.791 -9.325 -11.115 1.00 0.00 O ATOM 1364 CB ILE A 85 -8.886 -6.979 -10.179 1.00 0.00 C ATOM 1365 CG1 ILE A 85 -9.646 -8.305 -10.250 1.00 0.00 C ATOM 1366 CG2 ILE A 85 -9.199 -6.117 -11.392 1.00 0.00 C ATOM 1367 CD1 ILE A 85 -11.030 -8.242 -9.642 1.00 0.00 C ATOM 0 H ILE A 85 -7.195 -5.150 -9.966 1.00 0.00 H new ATOM 0 HA ILE A 85 -7.157 -7.754 -9.145 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.208 -6.444 -9.285 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -9.730 -8.611 -11.293 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -9.068 -9.074 -9.738 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -10.274 -5.944 -11.448 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.682 -5.161 -11.302 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.866 -6.626 -12.296 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -11.510 -9.217 -9.728 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -10.953 -7.967 -8.590 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -11.626 -7.497 -10.169 1.00 0.00 H new ATOM 1379 N LYS A 86 -6.730 -7.483 -12.405 1.00 0.00 N ATOM 1380 CA LYS A 86 -6.310 -8.202 -13.603 1.00 0.00 C ATOM 1381 C LYS A 86 -4.881 -8.714 -13.456 1.00 0.00 C ATOM 1382 O LYS A 86 -4.585 -9.861 -13.788 1.00 0.00 O ATOM 1383 CB LYS A 86 -6.413 -7.294 -14.830 1.00 0.00 C ATOM 1384 CG LYS A 86 -7.838 -7.087 -15.315 1.00 0.00 C ATOM 1385 CD LYS A 86 -8.240 -8.142 -16.332 1.00 0.00 C ATOM 1386 CE LYS A 86 -7.765 -7.778 -17.730 1.00 0.00 C ATOM 1387 NZ LYS A 86 -7.543 -8.986 -18.572 1.00 0.00 N ATOM 0 H LYS A 86 -6.846 -6.478 -12.536 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.973 -9.057 -13.735 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.974 -6.325 -14.592 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.821 -7.722 -15.639 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -8.521 -7.120 -14.466 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.931 -6.097 -15.761 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.820 -9.106 -16.043 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.324 -8.254 -16.333 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.502 -7.133 -18.208 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.839 -7.207 -17.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -7.220 -8.696 -19.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -6.821 -9.590 -18.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.433 -9.517 -18.658 1.00 0.00 H new ATOM 1401 N GLY A 87 -3.997 -7.856 -12.954 1.00 0.00 N ATOM 1402 CA GLY A 87 -2.610 -8.242 -12.771 1.00 0.00 C ATOM 1403 C GLY A 87 -1.687 -7.581 -13.776 1.00 0.00 C ATOM 1404 O GLY A 87 -0.663 -8.149 -14.155 1.00 0.00 O ATOM 0 H GLY A 87 -4.217 -6.901 -12.671 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.293 -7.978 -11.762 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -2.523 -9.325 -12.859 1.00 0.00 H new ATOM 1408 N ARG A 88 -2.051 -6.379 -14.210 1.00 0.00 N ATOM 1409 CA ARG A 88 -1.249 -5.642 -15.179 1.00 0.00 C ATOM 1410 C ARG A 88 -0.441 -4.544 -14.494 1.00 0.00 C ATOM 1411 O ARG A 88 -1.004 -3.633 -13.886 1.00 0.00 O ATOM 1412 CB ARG A 88 -2.147 -5.031 -16.257 1.00 0.00 C ATOM 1413 CG ARG A 88 -3.129 -4.002 -15.721 1.00 0.00 C ATOM 1414 CD ARG A 88 -4.127 -3.577 -16.786 1.00 0.00 C ATOM 1415 NE ARG A 88 -3.604 -2.506 -17.630 1.00 0.00 N ATOM 1416 CZ ARG A 88 -4.314 -1.902 -18.576 1.00 0.00 C ATOM 1417 NH1 ARG A 88 -5.571 -2.262 -18.798 1.00 0.00 N ATOM 1418 NH2 ARG A 88 -3.768 -0.935 -19.302 1.00 0.00 N ATOM 0 H ARG A 88 -2.896 -5.895 -13.906 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.556 -6.342 -15.646 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.521 -4.562 -17.016 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.703 -5.829 -16.750 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.662 -4.417 -14.866 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.584 -3.129 -15.363 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.382 -4.436 -17.407 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -5.048 -3.244 -16.307 1.00 0.00 H new ATOM 0 HE ARG A 88 -2.640 -2.205 -17.485 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.995 -3.004 -18.242 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -6.114 -1.796 -19.525 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.802 -0.655 -19.134 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -4.314 -0.472 -20.028 1.00 0.00 H new ATOM 1432 N TRP A 89 0.880 -4.637 -14.596 1.00 0.00 N ATOM 1433 CA TRP A 89 1.765 -3.652 -13.985 1.00 0.00 C ATOM 1434 C TRP A 89 2.518 -2.863 -15.051 1.00 0.00 C ATOM 1435 O TRP A 89 2.513 -3.226 -16.226 1.00 0.00 O ATOM 1436 CB TRP A 89 2.757 -4.340 -13.047 1.00 0.00 C ATOM 1437 CG TRP A 89 3.895 -5.000 -13.765 1.00 0.00 C ATOM 1438 CD1 TRP A 89 3.914 -6.262 -14.287 1.00 0.00 C ATOM 1439 CD2 TRP A 89 5.181 -4.432 -14.039 1.00 0.00 C ATOM 1440 NE1 TRP A 89 5.133 -6.512 -14.869 1.00 0.00 N ATOM 1441 CE2 TRP A 89 5.928 -5.405 -14.731 1.00 0.00 C ATOM 1442 CE3 TRP A 89 5.772 -3.195 -13.769 1.00 0.00 C ATOM 1443 CZ2 TRP A 89 7.235 -5.178 -15.154 1.00 0.00 C ATOM 1444 CZ3 TRP A 89 7.070 -2.971 -14.189 1.00 0.00 C ATOM 1445 CH2 TRP A 89 7.789 -3.958 -14.876 1.00 0.00 C ATOM 0 H TRP A 89 1.362 -5.384 -15.096 1.00 0.00 H new ATOM 0 HA TRP A 89 1.153 -2.958 -13.409 1.00 0.00 H new ATOM 0 HB2 TRP A 89 3.156 -3.604 -12.349 1.00 0.00 H new ATOM 0 HB3 TRP A 89 2.228 -5.087 -12.455 1.00 0.00 H new ATOM 0 HD1 TRP A 89 3.091 -6.961 -14.248 1.00 0.00 H new ATOM 0 HE1 TRP A 89 5.403 -7.381 -15.329 1.00 0.00 H new ATOM 0 HE3 TRP A 89 5.225 -2.428 -13.242 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 7.792 -5.938 -15.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 7.538 -2.019 -13.984 1.00 0.00 H new ATOM 0 HH2 TRP A 89 8.801 -3.752 -15.193 1.00 0.00 H new ATOM 1456 N GLY A 90 3.165 -1.779 -14.632 1.00 0.00 N ATOM 1457 CA GLY A 90 3.914 -0.956 -15.563 1.00 0.00 C ATOM 1458 C GLY A 90 3.268 0.397 -15.789 1.00 0.00 C ATOM 1459 O GLY A 90 3.370 0.968 -16.875 1.00 0.00 O ATOM 0 H GLY A 90 3.183 -1.457 -13.664 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.926 -0.813 -15.184 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.001 -1.478 -16.516 1.00 0.00 H new ATOM 1463 N SER A 91 2.601 0.912 -14.761 1.00 0.00 N ATOM 1464 CA SER A 91 1.931 2.204 -14.854 1.00 0.00 C ATOM 1465 C SER A 91 1.993 2.944 -13.521 1.00 0.00 C ATOM 1466 O SER A 91 2.345 2.366 -12.494 1.00 0.00 O ATOM 1467 CB SER A 91 0.474 2.017 -15.280 1.00 0.00 C ATOM 1468 OG SER A 91 -0.222 1.186 -14.367 1.00 0.00 O ATOM 0 H SER A 91 2.510 0.454 -13.854 1.00 0.00 H new ATOM 0 HA SER A 91 2.447 2.801 -15.606 1.00 0.00 H new ATOM 0 HB2 SER A 91 -0.018 2.988 -15.341 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.437 1.578 -16.277 1.00 0.00 H new ATOM 0 HG SER A 91 -1.151 1.084 -14.661 1.00 0.00 H new ATOM 1474 N GLU A 92 1.646 4.228 -13.548 1.00 0.00 N ATOM 1475 CA GLU A 92 1.663 5.048 -12.343 1.00 0.00 C ATOM 1476 C GLU A 92 0.264 5.563 -12.016 1.00 0.00 C ATOM 1477 O GLU A 92 0.007 6.031 -10.908 1.00 0.00 O ATOM 1478 CB GLU A 92 2.625 6.225 -12.513 1.00 0.00 C ATOM 1479 CG GLU A 92 4.050 5.805 -12.833 1.00 0.00 C ATOM 1480 CD GLU A 92 4.898 5.624 -11.590 1.00 0.00 C ATOM 1481 OE1 GLU A 92 4.350 5.189 -10.555 1.00 0.00 O ATOM 1482 OE2 GLU A 92 6.111 5.917 -11.651 1.00 0.00 O ATOM 0 H GLU A 92 1.350 4.721 -14.390 1.00 0.00 H new ATOM 0 HA GLU A 92 2.005 4.426 -11.516 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.258 6.871 -13.310 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.626 6.817 -11.598 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.032 4.871 -13.395 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.510 6.555 -13.476 1.00 0.00 H new ATOM 1489 N ASN A 93 -0.635 5.474 -12.991 1.00 0.00 N ATOM 1490 CA ASN A 93 -2.008 5.933 -12.809 1.00 0.00 C ATOM 1491 C ASN A 93 -2.674 5.205 -11.645 1.00 0.00 C ATOM 1492 O ASN A 93 -3.081 4.050 -11.772 1.00 0.00 O ATOM 1493 CB ASN A 93 -2.815 5.715 -14.090 1.00 0.00 C ATOM 1494 CG ASN A 93 -2.606 6.826 -15.101 1.00 0.00 C ATOM 1495 OD1 ASN A 93 -2.041 7.872 -14.782 1.00 0.00 O ATOM 1496 ND2 ASN A 93 -3.063 6.603 -16.328 1.00 0.00 N ATOM 0 H ASN A 93 -0.438 5.089 -13.915 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.982 6.999 -12.582 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.531 4.762 -14.537 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -3.874 5.648 -13.842 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -2.952 7.314 -17.051 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -3.525 5.721 -16.548 1.00 0.00 H new ATOM 1503 N VAL A 94 -2.783 5.889 -10.510 1.00 0.00 N ATOM 1504 CA VAL A 94 -3.401 5.309 -9.324 1.00 0.00 C ATOM 1505 C VAL A 94 -4.272 6.332 -8.603 1.00 0.00 C ATOM 1506 O VAL A 94 -3.802 7.404 -8.221 1.00 0.00 O ATOM 1507 CB VAL A 94 -2.341 4.773 -8.344 1.00 0.00 C ATOM 1508 CG1 VAL A 94 -1.476 3.719 -9.018 1.00 0.00 C ATOM 1509 CG2 VAL A 94 -1.487 5.911 -7.807 1.00 0.00 C ATOM 0 H VAL A 94 -2.451 6.846 -10.387 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.023 4.481 -9.664 1.00 0.00 H new ATOM 0 HB VAL A 94 -2.853 4.306 -7.503 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -0.733 3.352 -8.311 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.103 2.891 -9.348 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.972 4.158 -9.879 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -0.744 5.513 -7.116 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.983 6.410 -8.635 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.122 6.627 -7.285 1.00 0.00 H new ATOM 1519 N ASP A 95 -5.543 5.993 -8.419 1.00 0.00 N ATOM 1520 CA ASP A 95 -6.481 6.881 -7.742 1.00 0.00 C ATOM 1521 C ASP A 95 -7.136 6.178 -6.556 1.00 0.00 C ATOM 1522 O ASP A 95 -7.108 4.951 -6.457 1.00 0.00 O ATOM 1523 CB ASP A 95 -7.554 7.366 -8.719 1.00 0.00 C ATOM 1524 CG ASP A 95 -6.982 8.235 -9.821 1.00 0.00 C ATOM 1525 OD1 ASP A 95 -6.179 7.720 -10.627 1.00 0.00 O ATOM 1526 OD2 ASP A 95 -7.339 9.430 -9.879 1.00 0.00 O ATOM 0 H ASP A 95 -5.948 5.110 -8.729 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.924 7.741 -7.370 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -8.054 6.505 -9.162 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -8.311 7.928 -8.173 1.00 0.00 H new ATOM 1531 N ASP A 96 -7.722 6.964 -5.660 1.00 0.00 N ATOM 1532 CA ASP A 96 -8.383 6.417 -4.481 1.00 0.00 C ATOM 1533 C ASP A 96 -9.752 5.847 -4.841 1.00 0.00 C ATOM 1534 O ASP A 96 -10.531 5.477 -3.964 1.00 0.00 O ATOM 1535 CB ASP A 96 -8.533 7.496 -3.407 1.00 0.00 C ATOM 1536 CG ASP A 96 -9.166 8.765 -3.946 1.00 0.00 C ATOM 1537 OD1 ASP A 96 -10.142 8.659 -4.717 1.00 0.00 O ATOM 1538 OD2 ASP A 96 -8.683 9.863 -3.597 1.00 0.00 O ATOM 0 H ASP A 96 -7.753 7.981 -5.727 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.764 5.610 -4.090 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.141 7.109 -2.589 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -7.553 7.730 -2.992 1.00 0.00 H new ATOM 1543 N ASN A 97 -10.037 5.780 -6.137 1.00 0.00 N ATOM 1544 CA ASN A 97 -11.312 5.256 -6.613 1.00 0.00 C ATOM 1545 C ASN A 97 -11.547 3.841 -6.093 1.00 0.00 C ATOM 1546 O ASN A 97 -10.709 3.281 -5.389 1.00 0.00 O ATOM 1547 CB ASN A 97 -11.351 5.262 -8.142 1.00 0.00 C ATOM 1548 CG ASN A 97 -11.747 6.614 -8.705 1.00 0.00 C ATOM 1549 OD1 ASN A 97 -12.610 6.707 -9.578 1.00 0.00 O ATOM 1550 ND2 ASN A 97 -11.114 7.670 -8.207 1.00 0.00 N ATOM 0 H ASN A 97 -9.403 6.082 -6.876 1.00 0.00 H new ATOM 0 HA ASN A 97 -12.105 5.900 -6.233 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.371 4.983 -8.529 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -12.057 4.507 -8.488 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -11.337 8.605 -8.547 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -10.405 7.546 -7.484 1.00 0.00 H new ATOM 1557 N ASN A 98 -12.694 3.270 -6.446 1.00 0.00 N ATOM 1558 CA ASN A 98 -13.040 1.920 -6.015 1.00 0.00 C ATOM 1559 C ASN A 98 -12.255 0.879 -6.806 1.00 0.00 C ATOM 1560 O ASN A 98 -12.498 -0.321 -6.682 1.00 0.00 O ATOM 1561 CB ASN A 98 -14.542 1.678 -6.182 1.00 0.00 C ATOM 1562 CG ASN A 98 -15.061 2.170 -7.519 1.00 0.00 C ATOM 1563 OD1 ASN A 98 -15.941 3.029 -7.578 1.00 0.00 O ATOM 1564 ND2 ASN A 98 -14.518 1.626 -8.602 1.00 0.00 N ATOM 0 H ASN A 98 -13.399 3.721 -7.029 1.00 0.00 H new ATOM 0 HA ASN A 98 -12.778 1.823 -4.961 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -14.749 0.612 -6.085 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -15.080 2.181 -5.379 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -14.828 1.917 -9.529 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -13.791 0.917 -8.507 1.00 0.00 H new ATOM 1571 N GLN A 99 -11.313 1.347 -7.618 1.00 0.00 N ATOM 1572 CA GLN A 99 -10.492 0.456 -8.430 1.00 0.00 C ATOM 1573 C GLN A 99 -9.858 -0.633 -7.571 1.00 0.00 C ATOM 1574 O GLN A 99 -9.044 -0.350 -6.690 1.00 0.00 O ATOM 1575 CB GLN A 99 -9.403 1.249 -9.154 1.00 0.00 C ATOM 1576 CG GLN A 99 -9.948 2.266 -10.144 1.00 0.00 C ATOM 1577 CD GLN A 99 -8.998 2.524 -11.297 1.00 0.00 C ATOM 1578 OE1 GLN A 99 -7.801 2.733 -11.096 1.00 0.00 O ATOM 1579 NE2 GLN A 99 -9.528 2.512 -12.515 1.00 0.00 N ATOM 0 H GLN A 99 -11.099 2.338 -7.731 1.00 0.00 H new ATOM 0 HA GLN A 99 -11.138 -0.019 -9.169 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -8.790 1.766 -8.416 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -8.749 0.555 -9.682 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.901 1.911 -10.536 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -10.146 3.203 -9.624 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -10.525 2.335 -12.636 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -8.938 2.680 -13.330 1.00 0.00 H new ATOM 1588 N LEU A 100 -10.236 -1.880 -7.831 1.00 0.00 N ATOM 1589 CA LEU A 100 -9.705 -3.013 -7.081 1.00 0.00 C ATOM 1590 C LEU A 100 -8.195 -3.130 -7.268 1.00 0.00 C ATOM 1591 O LEU A 100 -7.670 -2.855 -8.347 1.00 0.00 O ATOM 1592 CB LEU A 100 -10.387 -4.308 -7.524 1.00 0.00 C ATOM 1593 CG LEU A 100 -11.711 -4.639 -6.835 1.00 0.00 C ATOM 1594 CD1 LEU A 100 -12.386 -5.821 -7.514 1.00 0.00 C ATOM 1595 CD2 LEU A 100 -11.486 -4.929 -5.358 1.00 0.00 C ATOM 0 H LEU A 100 -10.908 -2.132 -8.556 1.00 0.00 H new ATOM 0 HA LEU A 100 -9.910 -2.845 -6.024 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.563 -4.253 -8.598 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.697 -5.135 -7.356 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.368 -3.773 -6.920 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -13.327 -6.042 -7.010 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -12.582 -5.577 -8.558 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -11.733 -6.692 -7.461 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -12.439 -5.163 -4.884 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -10.811 -5.778 -5.253 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.047 -4.054 -4.878 1.00 0.00 H new ATOM 1607 N PHE A 101 -7.504 -3.541 -6.210 1.00 0.00 N ATOM 1608 CA PHE A 101 -6.054 -3.696 -6.258 1.00 0.00 C ATOM 1609 C PHE A 101 -5.621 -4.975 -5.548 1.00 0.00 C ATOM 1610 O PHE A 101 -6.369 -5.540 -4.751 1.00 0.00 O ATOM 1611 CB PHE A 101 -5.370 -2.487 -5.617 1.00 0.00 C ATOM 1612 CG PHE A 101 -5.083 -1.377 -6.587 1.00 0.00 C ATOM 1613 CD1 PHE A 101 -3.990 -1.446 -7.436 1.00 0.00 C ATOM 1614 CD2 PHE A 101 -5.906 -0.264 -6.650 1.00 0.00 C ATOM 1615 CE1 PHE A 101 -3.723 -0.425 -8.329 1.00 0.00 C ATOM 1616 CE2 PHE A 101 -5.645 0.760 -7.542 1.00 0.00 C ATOM 1617 CZ PHE A 101 -4.552 0.678 -8.383 1.00 0.00 C ATOM 0 H PHE A 101 -7.924 -3.773 -5.310 1.00 0.00 H new ATOM 0 HA PHE A 101 -5.754 -3.762 -7.304 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -6.002 -2.104 -4.816 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -4.435 -2.809 -5.159 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.339 -2.307 -7.400 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -6.762 -0.195 -5.995 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -2.867 -0.490 -8.984 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -6.294 1.622 -7.581 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.346 1.475 -9.082 1.00 0.00 H new ATOM 1627 N ARG A 102 -4.406 -5.427 -5.845 1.00 0.00 N ATOM 1628 CA ARG A 102 -3.873 -6.640 -5.238 1.00 0.00 C ATOM 1629 C ARG A 102 -2.349 -6.666 -5.323 1.00 0.00 C ATOM 1630 O ARG A 102 -1.741 -5.838 -6.000 1.00 0.00 O ATOM 1631 CB ARG A 102 -4.453 -7.878 -5.926 1.00 0.00 C ATOM 1632 CG ARG A 102 -4.238 -7.896 -7.430 1.00 0.00 C ATOM 1633 CD ARG A 102 -4.970 -9.057 -8.084 1.00 0.00 C ATOM 1634 NE ARG A 102 -4.174 -10.281 -8.075 1.00 0.00 N ATOM 1635 CZ ARG A 102 -4.696 -11.498 -8.177 1.00 0.00 C ATOM 1636 NH1 ARG A 102 -6.007 -11.653 -8.295 1.00 0.00 N ATOM 1637 NH2 ARG A 102 -3.905 -12.564 -8.162 1.00 0.00 N ATOM 0 H ARG A 102 -3.773 -4.971 -6.502 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.162 -6.647 -4.187 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -4.000 -8.770 -5.492 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -5.522 -7.930 -5.720 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.586 -6.957 -7.860 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -3.172 -7.969 -7.645 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.911 -9.233 -7.562 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -5.220 -8.795 -9.112 1.00 0.00 H new ATOM 0 HE ARG A 102 -3.161 -10.197 -7.985 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -6.618 -10.836 -8.308 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -6.405 -12.589 -8.373 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.896 -12.449 -8.072 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -4.307 -13.498 -8.240 1.00 0.00 H new ATOM 1651 N PHE A 103 -1.740 -7.622 -4.629 1.00 0.00 N ATOM 1652 CA PHE A 103 -0.287 -7.754 -4.625 1.00 0.00 C ATOM 1653 C PHE A 103 0.161 -8.863 -5.573 1.00 0.00 C ATOM 1654 O PHE A 103 -0.406 -9.955 -5.603 1.00 0.00 O ATOM 1655 CB PHE A 103 0.215 -8.045 -3.209 1.00 0.00 C ATOM 1656 CG PHE A 103 1.592 -7.511 -2.939 1.00 0.00 C ATOM 1657 CD1 PHE A 103 2.712 -8.173 -3.416 1.00 0.00 C ATOM 1658 CD2 PHE A 103 1.767 -6.345 -2.210 1.00 0.00 C ATOM 1659 CE1 PHE A 103 3.981 -7.683 -3.169 1.00 0.00 C ATOM 1660 CE2 PHE A 103 3.033 -5.851 -1.960 1.00 0.00 C ATOM 1661 CZ PHE A 103 4.141 -6.520 -2.441 1.00 0.00 C ATOM 0 H PHE A 103 -2.229 -8.316 -4.063 1.00 0.00 H new ATOM 0 HA PHE A 103 0.140 -6.812 -4.969 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -0.481 -7.613 -2.490 1.00 0.00 H new ATOM 0 HB3 PHE A 103 0.214 -9.123 -3.046 1.00 0.00 H new ATOM 0 HD1 PHE A 103 2.592 -9.082 -3.987 1.00 0.00 H new ATOM 0 HD2 PHE A 103 0.904 -5.817 -1.833 1.00 0.00 H new ATOM 0 HE1 PHE A 103 4.846 -8.209 -3.545 1.00 0.00 H new ATOM 0 HE2 PHE A 103 3.156 -4.943 -1.389 1.00 0.00 H new ATOM 0 HZ PHE A 103 5.131 -6.135 -2.248 1.00 0.00 H new ATOM 1671 N PRO A 104 1.203 -8.576 -6.367 1.00 0.00 N ATOM 1672 CA PRO A 104 1.751 -9.534 -7.331 1.00 0.00 C ATOM 1673 C PRO A 104 2.464 -10.698 -6.651 1.00 0.00 C ATOM 1674 O PRO A 104 3.047 -10.539 -5.579 1.00 0.00 O ATOM 1675 CB PRO A 104 2.745 -8.696 -8.138 1.00 0.00 C ATOM 1676 CG PRO A 104 3.140 -7.590 -7.222 1.00 0.00 C ATOM 1677 CD PRO A 104 1.927 -7.294 -6.384 1.00 0.00 C ATOM 0 HA PRO A 104 0.970 -9.994 -7.937 1.00 0.00 H new ATOM 0 HB2 PRO A 104 3.609 -9.288 -8.439 1.00 0.00 H new ATOM 0 HB3 PRO A 104 2.289 -8.311 -9.050 1.00 0.00 H new ATOM 0 HG2 PRO A 104 3.984 -7.883 -6.597 1.00 0.00 H new ATOM 0 HG3 PRO A 104 3.450 -6.709 -7.784 1.00 0.00 H new ATOM 0 HD2 PRO A 104 2.201 -6.974 -5.379 1.00 0.00 H new ATOM 0 HD3 PRO A 104 1.323 -6.497 -6.818 1.00 0.00 H new ATOM 1685 N ALA A 105 2.413 -11.867 -7.280 1.00 0.00 N ATOM 1686 CA ALA A 105 3.056 -13.057 -6.736 1.00 0.00 C ATOM 1687 C ALA A 105 3.978 -13.702 -7.766 1.00 0.00 C ATOM 1688 O ALA A 105 3.517 -14.255 -8.765 1.00 0.00 O ATOM 1689 CB ALA A 105 2.009 -14.054 -6.265 1.00 0.00 C ATOM 0 H ALA A 105 1.933 -12.016 -8.167 1.00 0.00 H new ATOM 0 HA ALA A 105 3.663 -12.754 -5.883 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.504 -14.938 -5.861 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.394 -13.597 -5.490 1.00 0.00 H new ATOM 0 HB3 ALA A 105 1.378 -14.344 -7.105 1.00 0.00 H new