USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 588 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 19 GLN : amide:sc= -0.0149 X(o=-0.015,f=-0.27) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -1.72! C(o=-1.7!,f=-2.2!) USER MOD Single : A 71 GLN : amide:sc= -0.1 X(o=-0.1,f=-0.6) USER MOD Single : A 72 HIS :FLIP no HD1:sc= -3.94! C(o=-4.7!,f=-3.9!) USER MOD Single : A 77 HIS :FLIP no HD1:sc= 0.0841 F(o=-1.1,f=0.084) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -0.541 K(o=-0.54,f=-4.7!) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -106:sc= 1.31 USER MOD Single : A 92 CYS SG : rot 180:sc= -1.51 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot -170:sc=-0.000758 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -0.058 K(o=-0.058,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 -17.526 0.299 6.372 1.00 0.00 N ATOM 81 CA ALA A 9 -17.537 -1.015 5.741 1.00 0.00 C ATOM 82 C ALA A 9 -16.913 -2.067 6.651 1.00 0.00 C ATOM 83 O ALA A 9 -16.446 -1.755 7.746 1.00 0.00 O ATOM 84 CB ALA A 9 -16.805 -0.966 4.408 1.00 0.00 C ATOM 0 HA ALA A 9 -18.575 -1.297 5.563 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -16.821 -1.954 3.948 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -17.297 -0.251 3.749 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -15.772 -0.658 4.571 1.00 0.00 H new ATOM 90 N ARG A 10 -16.910 -3.314 6.191 1.00 0.00 N ATOM 91 CA ARG A 10 -16.345 -4.412 6.965 1.00 0.00 C ATOM 92 C ARG A 10 -15.225 -5.103 6.192 1.00 0.00 C ATOM 93 O ARG A 10 -15.196 -5.072 4.961 1.00 0.00 O ATOM 94 CB ARG A 10 -17.434 -5.426 7.322 1.00 0.00 C ATOM 95 CG ARG A 10 -17.202 -6.127 8.651 1.00 0.00 C ATOM 96 CD ARG A 10 -16.422 -7.419 8.471 1.00 0.00 C ATOM 97 NE ARG A 10 -17.300 -8.555 8.202 1.00 0.00 N ATOM 98 CZ ARG A 10 -16.976 -9.815 8.473 1.00 0.00 C ATOM 99 NH1 ARG A 10 -15.801 -10.098 9.018 1.00 0.00 N ATOM 100 NH2 ARG A 10 -17.828 -10.794 8.200 1.00 0.00 N ATOM 0 H ARG A 10 -17.293 -3.589 5.286 1.00 0.00 H new ATOM 0 HA ARG A 10 -15.928 -3.999 7.883 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -18.397 -4.916 7.353 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -17.495 -6.174 6.532 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -16.658 -5.463 9.323 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -18.161 -6.342 9.122 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -15.715 -7.304 7.649 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -15.837 -7.618 9.369 1.00 0.00 H new ATOM 0 HE ARG A 10 -18.212 -8.371 7.783 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -15.143 -9.348 9.230 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -15.555 -11.066 9.225 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -18.733 -10.580 7.781 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -17.578 -11.761 8.409 1.00 0.00 H new ATOM 114 N LEU A 11 -14.306 -5.724 6.922 1.00 0.00 N ATOM 115 CA LEU A 11 -13.183 -6.423 6.305 1.00 0.00 C ATOM 116 C LEU A 11 -13.502 -7.902 6.111 1.00 0.00 C ATOM 117 O LEU A 11 -13.977 -8.571 7.028 1.00 0.00 O ATOM 118 CB LEU A 11 -11.927 -6.269 7.165 1.00 0.00 C ATOM 119 CG LEU A 11 -10.626 -6.787 6.551 1.00 0.00 C ATOM 120 CD1 LEU A 11 -10.204 -5.916 5.378 1.00 0.00 C ATOM 121 CD2 LEU A 11 -9.526 -6.842 7.601 1.00 0.00 C ATOM 0 H LEU A 11 -14.316 -5.758 7.941 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.003 -5.978 5.326 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.799 -5.212 7.400 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.092 -6.788 8.109 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.799 -7.798 6.181 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.276 -6.301 4.954 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.983 -5.929 4.616 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.049 -4.893 5.721 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.607 -7.213 7.146 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.355 -5.843 8.001 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.827 -7.510 8.408 1.00 0.00 H new ATOM 133 N VAL A 12 -13.235 -8.407 4.911 1.00 0.00 N ATOM 134 CA VAL A 12 -13.491 -9.807 4.596 1.00 0.00 C ATOM 135 C VAL A 12 -12.187 -10.567 4.377 1.00 0.00 C ATOM 136 O VAL A 12 -12.042 -11.709 4.813 1.00 0.00 O ATOM 137 CB VAL A 12 -14.373 -9.949 3.342 1.00 0.00 C ATOM 138 CG1 VAL A 12 -15.843 -10.013 3.727 1.00 0.00 C ATOM 139 CG2 VAL A 12 -14.115 -8.801 2.377 1.00 0.00 C ATOM 0 H VAL A 12 -12.841 -7.867 4.141 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.018 -10.233 5.450 1.00 0.00 H new ATOM 0 HB VAL A 12 -14.113 -10.881 2.840 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -16.451 -10.113 2.828 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -16.012 -10.872 4.377 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -16.121 -9.100 4.253 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -14.747 -8.917 1.496 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -14.346 -7.855 2.867 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.068 -8.807 2.076 1.00 0.00 H new ATOM 149 N ALA A 13 -11.242 -9.926 3.698 1.00 0.00 N ATOM 150 CA ALA A 13 -9.949 -10.541 3.422 1.00 0.00 C ATOM 151 C ALA A 13 -8.809 -9.566 3.694 1.00 0.00 C ATOM 152 O ALA A 13 -8.278 -8.944 2.774 1.00 0.00 O ATOM 153 CB ALA A 13 -9.895 -11.033 1.984 1.00 0.00 C ATOM 0 H ALA A 13 -11.347 -8.981 3.329 1.00 0.00 H new ATOM 0 HA ALA A 13 -9.829 -11.394 4.090 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -8.924 -11.490 1.792 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -10.681 -11.770 1.822 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.041 -10.192 1.306 1.00 0.00 H new ATOM 159 N GLY A 14 -8.436 -9.436 4.963 1.00 0.00 N ATOM 160 CA GLY A 14 -7.361 -8.534 5.333 1.00 0.00 C ATOM 161 C GLY A 14 -6.153 -8.671 4.428 1.00 0.00 C ATOM 162 O GLY A 14 -6.096 -9.568 3.586 1.00 0.00 O ATOM 0 H GLY A 14 -8.859 -9.940 5.742 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.724 -7.507 5.297 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.064 -8.731 6.363 1.00 0.00 H new ATOM 166 N LEU A 15 -5.184 -7.778 4.599 1.00 0.00 N ATOM 167 CA LEU A 15 -3.970 -7.802 3.789 1.00 0.00 C ATOM 168 C LEU A 15 -3.108 -9.012 4.137 1.00 0.00 C ATOM 169 O LEU A 15 -3.278 -9.625 5.190 1.00 0.00 O ATOM 170 CB LEU A 15 -3.170 -6.515 3.996 1.00 0.00 C ATOM 171 CG LEU A 15 -3.839 -5.226 3.517 1.00 0.00 C ATOM 172 CD1 LEU A 15 -3.404 -4.048 4.376 1.00 0.00 C ATOM 173 CD2 LEU A 15 -3.514 -4.968 2.053 1.00 0.00 C ATOM 0 H LEU A 15 -5.215 -7.029 5.291 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.262 -7.876 2.742 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.951 -6.414 5.059 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.214 -6.618 3.482 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.918 -5.342 3.614 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.890 -3.139 4.020 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.688 -4.229 5.413 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.322 -3.930 4.311 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.999 -4.047 1.730 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.435 -4.873 1.931 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.875 -5.800 1.448 1.00 0.00 H new ATOM 185 N GLU A 16 -2.180 -9.347 3.245 1.00 0.00 N ATOM 186 CA GLU A 16 -1.291 -10.482 3.459 1.00 0.00 C ATOM 187 C GLU A 16 0.165 -10.082 3.237 1.00 0.00 C ATOM 188 O GLU A 16 0.483 -9.351 2.298 1.00 0.00 O ATOM 189 CB GLU A 16 -1.663 -11.634 2.524 1.00 0.00 C ATOM 190 CG GLU A 16 -1.502 -11.298 1.051 1.00 0.00 C ATOM 191 CD GLU A 16 -2.074 -12.370 0.143 1.00 0.00 C ATOM 192 OE1 GLU A 16 -3.316 -12.477 0.061 1.00 0.00 O ATOM 193 OE2 GLU A 16 -1.280 -13.101 -0.486 1.00 0.00 O ATOM 0 H GLU A 16 -2.025 -8.849 2.369 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.406 -10.811 4.492 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.042 -12.498 2.761 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.697 -11.923 2.711 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.996 -10.349 0.842 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.444 -11.163 0.826 1.00 0.00 H new ATOM 200 N ASP A 17 1.045 -10.565 4.106 1.00 0.00 N ATOM 201 CA ASP A 17 2.467 -10.259 4.005 1.00 0.00 C ATOM 202 C ASP A 17 2.987 -10.547 2.600 1.00 0.00 C ATOM 203 O ASP A 17 2.665 -11.577 2.007 1.00 0.00 O ATOM 204 CB ASP A 17 3.260 -11.071 5.032 1.00 0.00 C ATOM 205 CG ASP A 17 2.769 -10.848 6.449 1.00 0.00 C ATOM 206 OD1 ASP A 17 2.133 -9.803 6.700 1.00 0.00 O ATOM 207 OD2 ASP A 17 3.021 -11.719 7.307 1.00 0.00 O ATOM 0 H ASP A 17 0.799 -11.171 4.889 1.00 0.00 H new ATOM 0 HA ASP A 17 2.600 -9.197 4.212 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.187 -12.131 4.788 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.314 -10.801 4.969 1.00 0.00 H new ATOM 212 N VAL A 18 3.792 -9.630 2.073 1.00 0.00 N ATOM 213 CA VAL A 18 4.356 -9.786 0.737 1.00 0.00 C ATOM 214 C VAL A 18 5.866 -9.575 0.751 1.00 0.00 C ATOM 215 O VAL A 18 6.358 -8.581 1.284 1.00 0.00 O ATOM 216 CB VAL A 18 3.720 -8.799 -0.259 1.00 0.00 C ATOM 217 CG1 VAL A 18 4.347 -8.951 -1.636 1.00 0.00 C ATOM 218 CG2 VAL A 18 2.214 -9.005 -0.324 1.00 0.00 C ATOM 0 H VAL A 18 4.068 -8.772 2.550 1.00 0.00 H new ATOM 0 HA VAL A 18 4.137 -10.805 0.417 1.00 0.00 H new ATOM 0 HB VAL A 18 3.910 -7.784 0.090 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.885 -8.245 -2.326 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.416 -8.749 -1.573 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.190 -9.967 -1.997 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.780 -8.299 -1.033 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.000 -10.023 -0.649 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.781 -8.840 0.663 1.00 0.00 H new ATOM 228 N GLN A 19 6.595 -10.516 0.160 1.00 0.00 N ATOM 229 CA GLN A 19 8.050 -10.433 0.105 1.00 0.00 C ATOM 230 C GLN A 19 8.555 -10.672 -1.314 1.00 0.00 C ATOM 231 O GLN A 19 8.131 -11.614 -1.985 1.00 0.00 O ATOM 232 CB GLN A 19 8.677 -11.449 1.060 1.00 0.00 C ATOM 233 CG GLN A 19 8.817 -12.840 0.462 1.00 0.00 C ATOM 234 CD GLN A 19 8.853 -13.928 1.517 1.00 0.00 C ATOM 235 OE1 GLN A 19 7.995 -13.982 2.398 1.00 0.00 O ATOM 236 NE2 GLN A 19 9.849 -14.803 1.432 1.00 0.00 N ATOM 0 H GLN A 19 6.202 -11.344 -0.287 1.00 0.00 H new ATOM 0 HA GLN A 19 8.343 -9.429 0.412 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.661 -11.092 1.362 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.069 -11.510 1.963 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.984 -13.025 -0.217 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.729 -12.886 -0.133 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.538 -14.720 0.685 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.924 -15.558 2.114 1.00 0.00 H new ATOM 245 N VAL A 20 9.462 -9.812 -1.767 1.00 0.00 N ATOM 246 CA VAL A 20 10.026 -9.930 -3.106 1.00 0.00 C ATOM 247 C VAL A 20 11.483 -9.482 -3.131 1.00 0.00 C ATOM 248 O VAL A 20 11.943 -8.780 -2.230 1.00 0.00 O ATOM 249 CB VAL A 20 9.227 -9.098 -4.127 1.00 0.00 C ATOM 250 CG1 VAL A 20 7.794 -9.599 -4.220 1.00 0.00 C ATOM 251 CG2 VAL A 20 9.262 -7.624 -3.755 1.00 0.00 C ATOM 0 H VAL A 20 9.822 -9.026 -1.226 1.00 0.00 H new ATOM 0 HA VAL A 20 9.968 -10.983 -3.382 1.00 0.00 H new ATOM 0 HB VAL A 20 9.691 -9.214 -5.107 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.245 -8.999 -4.946 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.793 -10.642 -4.536 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.315 -9.515 -3.244 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.693 -7.051 -4.487 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.824 -7.488 -2.766 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.295 -7.276 -3.745 1.00 0.00 H new ATOM 261 N TYR A 21 12.205 -9.892 -4.168 1.00 0.00 N ATOM 262 CA TYR A 21 13.611 -9.535 -4.310 1.00 0.00 C ATOM 263 C TYR A 21 13.761 -8.104 -4.817 1.00 0.00 C ATOM 264 O TYR A 21 12.836 -7.540 -5.402 1.00 0.00 O ATOM 265 CB TYR A 21 14.311 -10.502 -5.266 1.00 0.00 C ATOM 266 CG TYR A 21 14.780 -11.777 -4.601 1.00 0.00 C ATOM 267 CD1 TYR A 21 13.872 -12.667 -4.041 1.00 0.00 C ATOM 268 CD2 TYR A 21 16.132 -12.091 -4.532 1.00 0.00 C ATOM 269 CE1 TYR A 21 14.296 -13.832 -3.432 1.00 0.00 C ATOM 270 CE2 TYR A 21 16.565 -13.254 -3.926 1.00 0.00 C ATOM 271 CZ TYR A 21 15.643 -14.122 -3.378 1.00 0.00 C ATOM 272 OH TYR A 21 16.071 -15.281 -2.772 1.00 0.00 O ATOM 0 H TYR A 21 11.839 -10.472 -4.923 1.00 0.00 H new ATOM 0 HA TYR A 21 14.078 -9.604 -3.327 1.00 0.00 H new ATOM 0 HB2 TYR A 21 13.629 -10.755 -6.078 1.00 0.00 H new ATOM 0 HB3 TYR A 21 15.168 -10.000 -5.715 1.00 0.00 H new ATOM 0 HD1 TYR A 21 12.816 -12.444 -4.083 1.00 0.00 H new ATOM 0 HD2 TYR A 21 16.857 -11.414 -4.960 1.00 0.00 H new ATOM 0 HE1 TYR A 21 13.576 -14.512 -3.000 1.00 0.00 H new ATOM 0 HE2 TYR A 21 17.620 -13.483 -3.881 1.00 0.00 H new ATOM 0 HH TYR A 21 17.048 -15.334 -2.821 1.00 0.00 H new ATOM 282 N ASP A 22 14.933 -7.522 -4.588 1.00 0.00 N ATOM 283 CA ASP A 22 15.207 -6.157 -5.022 1.00 0.00 C ATOM 284 C ASP A 22 14.790 -5.955 -6.476 1.00 0.00 C ATOM 285 O ASP A 22 14.858 -6.879 -7.285 1.00 0.00 O ATOM 286 CB ASP A 22 16.693 -5.835 -4.855 1.00 0.00 C ATOM 287 CG ASP A 22 17.333 -6.623 -3.730 1.00 0.00 C ATOM 288 OD1 ASP A 22 16.595 -7.095 -2.840 1.00 0.00 O ATOM 289 OD2 ASP A 22 18.574 -6.769 -3.738 1.00 0.00 O ATOM 0 H ASP A 22 15.709 -7.974 -4.104 1.00 0.00 H new ATOM 0 HA ASP A 22 14.624 -5.479 -4.398 1.00 0.00 H new ATOM 0 HB2 ASP A 22 17.215 -6.049 -5.788 1.00 0.00 H new ATOM 0 HB3 ASP A 22 16.811 -4.769 -4.661 1.00 0.00 H new ATOM 294 N GLY A 23 14.359 -4.740 -6.799 1.00 0.00 N ATOM 295 CA GLY A 23 13.936 -4.440 -8.154 1.00 0.00 C ATOM 296 C GLY A 23 12.539 -4.946 -8.452 1.00 0.00 C ATOM 297 O GLY A 23 11.760 -4.275 -9.129 1.00 0.00 O ATOM 0 H GLY A 23 14.295 -3.958 -6.147 1.00 0.00 H new ATOM 0 HA2 GLY A 23 13.970 -3.362 -8.311 1.00 0.00 H new ATOM 0 HA3 GLY A 23 14.638 -4.887 -8.858 1.00 0.00 H new ATOM 301 N GLU A 24 12.221 -6.133 -7.946 1.00 0.00 N ATOM 302 CA GLU A 24 10.908 -6.729 -8.164 1.00 0.00 C ATOM 303 C GLU A 24 9.798 -5.748 -7.800 1.00 0.00 C ATOM 304 O GLU A 24 10.061 -4.650 -7.309 1.00 0.00 O ATOM 305 CB GLU A 24 10.762 -8.011 -7.341 1.00 0.00 C ATOM 306 CG GLU A 24 11.866 -9.024 -7.591 1.00 0.00 C ATOM 307 CD GLU A 24 11.645 -9.826 -8.859 1.00 0.00 C ATOM 308 OE1 GLU A 24 10.901 -9.347 -9.741 1.00 0.00 O ATOM 309 OE2 GLU A 24 12.216 -10.930 -8.971 1.00 0.00 O ATOM 0 H GLU A 24 12.854 -6.701 -7.383 1.00 0.00 H new ATOM 0 HA GLU A 24 10.820 -6.974 -9.222 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.750 -7.753 -6.282 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.800 -8.471 -7.568 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.822 -8.505 -7.656 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.929 -9.704 -6.742 1.00 0.00 H new ATOM 316 N ASP A 25 8.556 -6.152 -8.043 1.00 0.00 N ATOM 317 CA ASP A 25 7.404 -5.309 -7.741 1.00 0.00 C ATOM 318 C ASP A 25 6.530 -5.950 -6.668 1.00 0.00 C ATOM 319 O ASP A 25 6.015 -7.053 -6.849 1.00 0.00 O ATOM 320 CB ASP A 25 6.581 -5.060 -9.006 1.00 0.00 C ATOM 321 CG ASP A 25 7.448 -4.917 -10.241 1.00 0.00 C ATOM 322 OD1 ASP A 25 8.614 -4.494 -10.102 1.00 0.00 O ATOM 323 OD2 ASP A 25 6.959 -5.228 -11.348 1.00 0.00 O ATOM 0 H ASP A 25 8.321 -7.058 -8.448 1.00 0.00 H new ATOM 0 HA ASP A 25 7.771 -4.355 -7.363 1.00 0.00 H new ATOM 0 HB2 ASP A 25 5.882 -5.884 -9.150 1.00 0.00 H new ATOM 0 HB3 ASP A 25 5.986 -4.156 -8.877 1.00 0.00 H new ATOM 328 N ALA A 26 6.367 -5.251 -5.549 1.00 0.00 N ATOM 329 CA ALA A 26 5.554 -5.750 -4.447 1.00 0.00 C ATOM 330 C ALA A 26 4.151 -5.155 -4.486 1.00 0.00 C ATOM 331 O ALA A 26 3.984 -3.936 -4.528 1.00 0.00 O ATOM 332 CB ALA A 26 6.223 -5.443 -3.116 1.00 0.00 C ATOM 0 H ALA A 26 6.788 -4.337 -5.382 1.00 0.00 H new ATOM 0 HA ALA A 26 5.465 -6.831 -4.555 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.605 -5.821 -2.302 1.00 0.00 H new ATOM 0 HB2 ALA A 26 7.201 -5.922 -3.081 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.343 -4.365 -3.009 1.00 0.00 H new ATOM 338 N VAL A 27 3.144 -6.022 -4.473 1.00 0.00 N ATOM 339 CA VAL A 27 1.754 -5.582 -4.506 1.00 0.00 C ATOM 340 C VAL A 27 0.931 -6.280 -3.430 1.00 0.00 C ATOM 341 O VAL A 27 1.204 -7.424 -3.069 1.00 0.00 O ATOM 342 CB VAL A 27 1.114 -5.848 -5.881 1.00 0.00 C ATOM 343 CG1 VAL A 27 1.682 -7.117 -6.498 1.00 0.00 C ATOM 344 CG2 VAL A 27 -0.399 -5.938 -5.755 1.00 0.00 C ATOM 0 H VAL A 27 3.265 -7.034 -4.440 1.00 0.00 H new ATOM 0 HA VAL A 27 1.757 -4.509 -4.317 1.00 0.00 H new ATOM 0 HB VAL A 27 1.352 -5.014 -6.541 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.218 -7.289 -7.469 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.759 -7.009 -6.625 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.476 -7.964 -5.843 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.835 -6.126 -6.736 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.660 -6.753 -5.079 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.788 -5.000 -5.359 1.00 0.00 H new ATOM 354 N PHE A 28 -0.080 -5.583 -2.921 1.00 0.00 N ATOM 355 CA PHE A 28 -0.945 -6.135 -1.885 1.00 0.00 C ATOM 356 C PHE A 28 -2.394 -6.196 -2.361 1.00 0.00 C ATOM 357 O PHE A 28 -2.732 -5.673 -3.423 1.00 0.00 O ATOM 358 CB PHE A 28 -0.850 -5.295 -0.610 1.00 0.00 C ATOM 359 CG PHE A 28 0.444 -5.475 0.131 1.00 0.00 C ATOM 360 CD1 PHE A 28 1.594 -4.824 -0.288 1.00 0.00 C ATOM 361 CD2 PHE A 28 0.511 -6.294 1.246 1.00 0.00 C ATOM 362 CE1 PHE A 28 2.786 -4.988 0.392 1.00 0.00 C ATOM 363 CE2 PHE A 28 1.701 -6.462 1.930 1.00 0.00 C ATOM 364 CZ PHE A 28 2.839 -5.807 1.503 1.00 0.00 C ATOM 0 H PHE A 28 -0.320 -4.635 -3.209 1.00 0.00 H new ATOM 0 HA PHE A 28 -0.609 -7.149 -1.669 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.968 -4.243 -0.868 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -1.677 -5.556 0.050 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.558 -4.182 -1.155 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -0.377 -6.807 1.585 1.00 0.00 H new ATOM 0 HE1 PHE A 28 3.675 -4.476 0.055 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.740 -7.105 2.797 1.00 0.00 H new ATOM 0 HZ PHE A 28 3.769 -5.935 2.037 1.00 0.00 H new ATOM 374 N SER A 29 -3.244 -6.838 -1.568 1.00 0.00 N ATOM 375 CA SER A 29 -4.656 -6.972 -1.909 1.00 0.00 C ATOM 376 C SER A 29 -5.501 -7.177 -0.655 1.00 0.00 C ATOM 377 O SER A 29 -5.063 -7.809 0.307 1.00 0.00 O ATOM 378 CB SER A 29 -4.861 -8.142 -2.873 1.00 0.00 C ATOM 379 OG SER A 29 -4.734 -9.383 -2.202 1.00 0.00 O ATOM 0 H SER A 29 -2.980 -7.274 -0.684 1.00 0.00 H new ATOM 0 HA SER A 29 -4.976 -6.050 -2.395 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.848 -8.072 -3.331 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.131 -8.085 -3.680 1.00 0.00 H new ATOM 0 HG SER A 29 -4.871 -10.115 -2.839 1.00 0.00 H new ATOM 385 N LEU A 30 -6.715 -6.637 -0.673 1.00 0.00 N ATOM 386 CA LEU A 30 -7.623 -6.760 0.462 1.00 0.00 C ATOM 387 C LEU A 30 -9.075 -6.617 0.016 1.00 0.00 C ATOM 388 O LEU A 30 -9.388 -5.812 -0.862 1.00 0.00 O ATOM 389 CB LEU A 30 -7.296 -5.704 1.519 1.00 0.00 C ATOM 390 CG LEU A 30 -7.708 -4.270 1.185 1.00 0.00 C ATOM 391 CD1 LEU A 30 -9.129 -4.000 1.654 1.00 0.00 C ATOM 392 CD2 LEU A 30 -6.740 -3.277 1.811 1.00 0.00 C ATOM 0 H LEU A 30 -7.093 -6.110 -1.460 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.491 -7.752 0.895 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.779 -5.992 2.453 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.221 -5.719 1.699 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.675 -4.146 0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.405 -2.975 1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.813 -4.689 1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.189 -4.143 2.733 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.049 -2.262 1.563 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.740 -3.402 2.894 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.736 -3.455 1.426 1.00 0.00 H new ATOM 404 N ASP A 31 -9.956 -7.401 0.626 1.00 0.00 N ATOM 405 CA ASP A 31 -11.375 -7.359 0.294 1.00 0.00 C ATOM 406 C ASP A 31 -12.183 -6.748 1.435 1.00 0.00 C ATOM 407 O ASP A 31 -11.782 -6.814 2.598 1.00 0.00 O ATOM 408 CB ASP A 31 -11.890 -8.766 -0.015 1.00 0.00 C ATOM 409 CG ASP A 31 -11.353 -9.304 -1.326 1.00 0.00 C ATOM 410 OD1 ASP A 31 -10.118 -9.447 -1.447 1.00 0.00 O ATOM 411 OD2 ASP A 31 -12.167 -9.581 -2.232 1.00 0.00 O ATOM 0 H ASP A 31 -9.713 -8.074 1.353 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.497 -6.733 -0.590 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.607 -9.439 0.794 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -12.979 -8.751 -0.051 1.00 0.00 H new ATOM 416 N LEU A 32 -13.320 -6.152 1.095 1.00 0.00 N ATOM 417 CA LEU A 32 -14.184 -5.527 2.091 1.00 0.00 C ATOM 418 C LEU A 32 -15.608 -6.066 1.992 1.00 0.00 C ATOM 419 O LEU A 32 -15.891 -6.954 1.188 1.00 0.00 O ATOM 420 CB LEU A 32 -14.188 -4.008 1.911 1.00 0.00 C ATOM 421 CG LEU A 32 -12.824 -3.356 1.681 1.00 0.00 C ATOM 422 CD1 LEU A 32 -12.990 -1.903 1.267 1.00 0.00 C ATOM 423 CD2 LEU A 32 -11.965 -3.461 2.933 1.00 0.00 C ATOM 0 H LEU A 32 -13.666 -6.088 0.137 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.791 -5.768 3.079 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.832 -3.764 1.066 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.639 -3.558 2.796 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.320 -3.887 0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.009 -1.456 1.108 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -13.566 -1.851 0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.514 -1.358 2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.998 -2.992 2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.464 -2.956 3.760 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.817 -4.511 3.186 1.00 0.00 H new ATOM 435 N SER A 33 -16.500 -5.521 2.813 1.00 0.00 N ATOM 436 CA SER A 33 -17.894 -5.948 2.819 1.00 0.00 C ATOM 437 C SER A 33 -18.756 -4.999 1.993 1.00 0.00 C ATOM 438 O SER A 33 -19.796 -5.389 1.460 1.00 0.00 O ATOM 439 CB SER A 33 -18.422 -6.018 4.253 1.00 0.00 C ATOM 440 OG SER A 33 -19.834 -6.130 4.272 1.00 0.00 O ATOM 0 H SER A 33 -16.282 -4.783 3.482 1.00 0.00 H new ATOM 0 HA SER A 33 -17.946 -6.941 2.372 1.00 0.00 H new ATOM 0 HB2 SER A 33 -17.979 -6.872 4.765 1.00 0.00 H new ATOM 0 HB3 SER A 33 -18.118 -5.126 4.800 1.00 0.00 H new ATOM 0 HG SER A 33 -20.146 -6.175 5.200 1.00 0.00 H new ATOM 446 N THR A 34 -18.317 -3.748 1.891 1.00 0.00 N ATOM 447 CA THR A 34 -19.048 -2.741 1.132 1.00 0.00 C ATOM 448 C THR A 34 -18.125 -1.613 0.684 1.00 0.00 C ATOM 449 O THR A 34 -17.244 -1.187 1.431 1.00 0.00 O ATOM 450 CB THR A 34 -20.205 -2.146 1.956 1.00 0.00 C ATOM 451 OG1 THR A 34 -20.844 -1.098 1.218 1.00 0.00 O ATOM 452 CG2 THR A 34 -19.700 -1.603 3.284 1.00 0.00 C ATOM 0 H THR A 34 -17.459 -3.408 2.325 1.00 0.00 H new ATOM 0 HA THR A 34 -19.457 -3.242 0.255 1.00 0.00 H new ATOM 0 HB THR A 34 -20.925 -2.940 2.156 1.00 0.00 H new ATOM 0 HG1 THR A 34 -21.580 -0.726 1.748 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.535 -1.188 3.849 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.241 -2.409 3.856 1.00 0.00 H new ATOM 0 HG23 THR A 34 -18.962 -0.822 3.101 1.00 0.00 H new ATOM 460 N ILE A 35 -18.334 -1.134 -0.537 1.00 0.00 N ATOM 461 CA ILE A 35 -17.522 -0.054 -1.083 1.00 0.00 C ATOM 462 C ILE A 35 -17.242 1.011 -0.027 1.00 0.00 C ATOM 463 O ILE A 35 -18.093 1.305 0.813 1.00 0.00 O ATOM 464 CB ILE A 35 -18.205 0.608 -2.294 1.00 0.00 C ATOM 465 CG1 ILE A 35 -18.542 -0.442 -3.354 1.00 0.00 C ATOM 466 CG2 ILE A 35 -17.311 1.691 -2.880 1.00 0.00 C ATOM 467 CD1 ILE A 35 -19.922 -1.040 -3.195 1.00 0.00 C ATOM 0 H ILE A 35 -19.059 -1.477 -1.167 1.00 0.00 H new ATOM 0 HA ILE A 35 -16.581 -0.499 -1.406 1.00 0.00 H new ATOM 0 HB ILE A 35 -19.133 1.071 -1.960 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -18.463 0.012 -4.342 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -17.802 -1.241 -3.311 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -17.808 2.149 -3.735 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -17.116 2.451 -2.123 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -16.368 1.249 -3.202 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -20.092 -1.776 -3.981 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -19.999 -1.524 -2.221 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -20.671 -0.251 -3.268 1.00 0.00 H new ATOM 479 N ILE A 36 -16.044 1.585 -0.077 1.00 0.00 N ATOM 480 CA ILE A 36 -15.654 2.619 0.873 1.00 0.00 C ATOM 481 C ILE A 36 -14.328 3.258 0.476 1.00 0.00 C ATOM 482 O ILE A 36 -13.465 2.606 -0.113 1.00 0.00 O ATOM 483 CB ILE A 36 -15.530 2.054 2.301 1.00 0.00 C ATOM 484 CG1 ILE A 36 -15.289 3.186 3.302 1.00 0.00 C ATOM 485 CG2 ILE A 36 -14.407 1.030 2.370 1.00 0.00 C ATOM 486 CD1 ILE A 36 -15.526 2.781 4.740 1.00 0.00 C ATOM 0 H ILE A 36 -15.328 1.351 -0.765 1.00 0.00 H new ATOM 0 HA ILE A 36 -16.439 3.375 0.856 1.00 0.00 H new ATOM 0 HB ILE A 36 -16.465 1.557 2.562 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -14.264 3.541 3.197 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -15.943 4.023 3.056 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -14.332 0.640 3.385 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -14.618 0.212 1.682 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -13.465 1.504 2.093 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -15.336 3.632 5.394 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.559 2.454 4.860 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -14.854 1.964 5.004 1.00 0.00 H new ATOM 498 N GLN A 37 -14.172 4.537 0.802 1.00 0.00 N ATOM 499 CA GLN A 37 -12.950 5.264 0.480 1.00 0.00 C ATOM 500 C GLN A 37 -12.048 5.383 1.704 1.00 0.00 C ATOM 501 O GLN A 37 -12.295 6.197 2.593 1.00 0.00 O ATOM 502 CB GLN A 37 -13.287 6.656 -0.057 1.00 0.00 C ATOM 503 CG GLN A 37 -12.062 7.505 -0.357 1.00 0.00 C ATOM 504 CD GLN A 37 -12.399 8.972 -0.543 1.00 0.00 C ATOM 505 OE1 GLN A 37 -13.084 9.573 0.285 1.00 0.00 O ATOM 506 NE2 GLN A 37 -11.919 9.556 -1.634 1.00 0.00 N ATOM 0 H GLN A 37 -14.877 5.091 1.289 1.00 0.00 H new ATOM 0 HA GLN A 37 -12.416 4.705 -0.288 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -13.878 6.552 -0.967 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.910 7.176 0.671 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -11.345 7.401 0.457 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -11.577 7.130 -1.259 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -11.356 9.020 -2.294 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.114 10.541 -1.813 1.00 0.00 H new ATOM 515 N GLY A 38 -11.001 4.564 1.743 1.00 0.00 N ATOM 516 CA GLY A 38 -10.078 4.594 2.863 1.00 0.00 C ATOM 517 C GLY A 38 -8.762 5.258 2.512 1.00 0.00 C ATOM 518 O GLY A 38 -8.670 5.992 1.528 1.00 0.00 O ATOM 0 H GLY A 38 -10.776 3.881 1.020 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.539 5.126 3.695 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.889 3.575 3.201 1.00 0.00 H new ATOM 522 N THR A 39 -7.738 5.001 3.320 1.00 0.00 N ATOM 523 CA THR A 39 -6.420 5.582 3.092 1.00 0.00 C ATOM 524 C THR A 39 -5.318 4.561 3.348 1.00 0.00 C ATOM 525 O THR A 39 -5.328 3.864 4.363 1.00 0.00 O ATOM 526 CB THR A 39 -6.185 6.811 3.990 1.00 0.00 C ATOM 527 OG1 THR A 39 -7.172 7.812 3.719 1.00 0.00 O ATOM 528 CG2 THR A 39 -4.795 7.388 3.764 1.00 0.00 C ATOM 0 H THR A 39 -7.796 4.394 4.138 1.00 0.00 H new ATOM 0 HA THR A 39 -6.388 5.893 2.048 1.00 0.00 H new ATOM 0 HB THR A 39 -6.266 6.494 5.030 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.016 8.589 4.295 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.652 8.255 4.409 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.045 6.633 3.999 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.691 7.690 2.722 1.00 0.00 H new ATOM 536 N TRP A 40 -4.368 4.478 2.423 1.00 0.00 N ATOM 537 CA TRP A 40 -3.258 3.541 2.550 1.00 0.00 C ATOM 538 C TRP A 40 -2.165 4.111 3.448 1.00 0.00 C ATOM 539 O TRP A 40 -2.128 5.313 3.710 1.00 0.00 O ATOM 540 CB TRP A 40 -2.682 3.211 1.172 1.00 0.00 C ATOM 541 CG TRP A 40 -3.492 2.202 0.416 1.00 0.00 C ATOM 542 CD1 TRP A 40 -4.458 2.459 -0.515 1.00 0.00 C ATOM 543 CD2 TRP A 40 -3.408 0.777 0.528 1.00 0.00 C ATOM 544 NE1 TRP A 40 -4.980 1.279 -0.988 1.00 0.00 N ATOM 545 CE2 TRP A 40 -4.352 0.233 -0.365 1.00 0.00 C ATOM 546 CE3 TRP A 40 -2.627 -0.091 1.294 1.00 0.00 C ATOM 547 CZ2 TRP A 40 -4.533 -1.140 -0.510 1.00 0.00 C ATOM 548 CZ3 TRP A 40 -2.808 -1.454 1.150 1.00 0.00 C ATOM 549 CH2 TRP A 40 -3.755 -1.967 0.253 1.00 0.00 C ATOM 0 H TRP A 40 -4.344 5.048 1.577 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.637 2.626 3.006 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -2.616 4.127 0.585 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -1.666 2.835 1.291 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -4.766 3.444 -0.833 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -5.716 1.196 -1.689 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.894 0.296 1.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -5.262 -1.538 -1.200 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.210 -2.134 1.738 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -3.873 -3.037 0.162 1.00 0.00 H new ATOM 560 N PHE A 41 -1.277 3.241 3.917 1.00 0.00 N ATOM 561 CA PHE A 41 -0.183 3.658 4.787 1.00 0.00 C ATOM 562 C PHE A 41 1.100 2.906 4.446 1.00 0.00 C ATOM 563 O PHE A 41 1.062 1.821 3.865 1.00 0.00 O ATOM 564 CB PHE A 41 -0.552 3.424 6.253 1.00 0.00 C ATOM 565 CG PHE A 41 -1.308 4.565 6.871 1.00 0.00 C ATOM 566 CD1 PHE A 41 -2.595 4.865 6.456 1.00 0.00 C ATOM 567 CD2 PHE A 41 -0.732 5.336 7.868 1.00 0.00 C ATOM 568 CE1 PHE A 41 -3.293 5.915 7.022 1.00 0.00 C ATOM 569 CE2 PHE A 41 -1.425 6.387 8.438 1.00 0.00 C ATOM 570 CZ PHE A 41 -2.708 6.676 8.016 1.00 0.00 C ATOM 0 H PHE A 41 -1.293 2.243 3.709 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.011 4.723 4.629 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.153 2.518 6.328 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.359 3.250 6.825 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.058 4.272 5.681 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.270 5.113 8.203 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.295 6.141 6.688 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.964 6.982 9.213 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.253 7.495 8.462 1.00 0.00 H new ATOM 580 N LEU A 42 2.236 3.490 4.812 1.00 0.00 N ATOM 581 CA LEU A 42 3.532 2.876 4.546 1.00 0.00 C ATOM 582 C LEU A 42 4.541 3.243 5.629 1.00 0.00 C ATOM 583 O LEU A 42 4.987 4.387 5.714 1.00 0.00 O ATOM 584 CB LEU A 42 4.054 3.315 3.177 1.00 0.00 C ATOM 585 CG LEU A 42 5.119 2.417 2.545 1.00 0.00 C ATOM 586 CD1 LEU A 42 4.489 1.144 2.000 1.00 0.00 C ATOM 587 CD2 LEU A 42 5.860 3.161 1.445 1.00 0.00 C ATOM 0 H LEU A 42 2.286 4.388 5.294 1.00 0.00 H new ATOM 0 HA LEU A 42 3.402 1.794 4.549 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.209 3.380 2.492 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.465 4.320 3.272 1.00 0.00 H new ATOM 0 HG LEU A 42 5.838 2.141 3.316 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.262 0.518 1.554 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.005 0.601 2.812 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.748 1.400 1.243 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.614 2.507 1.007 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.154 3.468 0.674 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.345 4.042 1.865 1.00 0.00 H new ATOM 599 N ASN A 43 4.899 2.265 6.454 1.00 0.00 N ATOM 600 CA ASN A 43 5.857 2.484 7.531 1.00 0.00 C ATOM 601 C ASN A 43 5.254 3.359 8.626 1.00 0.00 C ATOM 602 O ASN A 43 5.940 4.188 9.222 1.00 0.00 O ATOM 603 CB ASN A 43 7.129 3.136 6.985 1.00 0.00 C ATOM 604 CG ASN A 43 7.406 2.747 5.545 1.00 0.00 C ATOM 605 OD1 ASN A 43 7.403 3.593 4.651 1.00 0.00 O ATOM 606 ND2 ASN A 43 7.647 1.462 5.316 1.00 0.00 N ATOM 0 H ASN A 43 4.540 1.312 6.397 1.00 0.00 H new ATOM 0 HA ASN A 43 6.109 1.515 7.962 1.00 0.00 H new ATOM 0 HB2 ASN A 43 7.037 4.220 7.054 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.977 2.848 7.606 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.840 1.140 4.367 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.639 0.796 6.089 1.00 0.00 H new ATOM 613 N GLY A 44 3.964 3.167 8.886 1.00 0.00 N ATOM 614 CA GLY A 44 3.290 3.945 9.909 1.00 0.00 C ATOM 615 C GLY A 44 2.935 5.341 9.436 1.00 0.00 C ATOM 616 O GLY A 44 2.359 6.129 10.185 1.00 0.00 O ATOM 0 H GLY A 44 3.374 2.487 8.407 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.382 3.427 10.216 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.930 4.015 10.789 1.00 0.00 H new ATOM 620 N GLU A 45 3.283 5.648 8.190 1.00 0.00 N ATOM 621 CA GLU A 45 3.000 6.961 7.621 1.00 0.00 C ATOM 622 C GLU A 45 1.823 6.891 6.651 1.00 0.00 C ATOM 623 O GLU A 45 1.573 5.854 6.038 1.00 0.00 O ATOM 624 CB GLU A 45 4.235 7.507 6.902 1.00 0.00 C ATOM 625 CG GLU A 45 3.906 8.351 5.682 1.00 0.00 C ATOM 626 CD GLU A 45 5.049 9.263 5.279 1.00 0.00 C ATOM 627 OE1 GLU A 45 6.211 8.807 5.311 1.00 0.00 O ATOM 628 OE2 GLU A 45 4.780 10.431 4.930 1.00 0.00 O ATOM 0 H GLU A 45 3.760 5.007 7.556 1.00 0.00 H new ATOM 0 HA GLU A 45 2.737 7.633 8.438 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.817 8.107 7.602 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.866 6.672 6.596 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.657 7.695 4.847 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.021 8.953 5.889 1.00 0.00 H new ATOM 635 N GLU A 46 1.105 8.002 6.520 1.00 0.00 N ATOM 636 CA GLU A 46 -0.045 8.066 5.626 1.00 0.00 C ATOM 637 C GLU A 46 0.376 8.508 4.228 1.00 0.00 C ATOM 638 O GLU A 46 0.836 9.633 4.033 1.00 0.00 O ATOM 639 CB GLU A 46 -1.098 9.027 6.182 1.00 0.00 C ATOM 640 CG GLU A 46 -2.388 9.048 5.379 1.00 0.00 C ATOM 641 CD GLU A 46 -2.371 10.088 4.276 1.00 0.00 C ATOM 642 OE1 GLU A 46 -1.572 11.043 4.373 1.00 0.00 O ATOM 643 OE2 GLU A 46 -3.157 9.947 3.316 1.00 0.00 O ATOM 0 H GLU A 46 1.299 8.869 7.021 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.475 7.067 5.557 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.325 8.748 7.211 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.681 10.034 6.209 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.556 8.063 4.942 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.225 9.247 6.048 1.00 0.00 H new ATOM 650 N LEU A 47 0.215 7.614 3.258 1.00 0.00 N ATOM 651 CA LEU A 47 0.578 7.911 1.877 1.00 0.00 C ATOM 652 C LEU A 47 -0.269 9.053 1.324 1.00 0.00 C ATOM 653 O LEU A 47 -1.299 9.410 1.896 1.00 0.00 O ATOM 654 CB LEU A 47 0.407 6.666 1.005 1.00 0.00 C ATOM 655 CG LEU A 47 1.444 5.560 1.205 1.00 0.00 C ATOM 656 CD1 LEU A 47 0.906 4.227 0.707 1.00 0.00 C ATOM 657 CD2 LEU A 47 2.743 5.911 0.494 1.00 0.00 C ATOM 0 H LEU A 47 -0.164 6.678 3.403 1.00 0.00 H new ATOM 0 HA LEU A 47 1.624 8.218 1.861 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.582 6.248 1.193 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.430 6.973 -0.041 1.00 0.00 H new ATOM 0 HG LEU A 47 1.649 5.470 2.272 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.658 3.452 0.858 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.003 3.969 1.261 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.671 4.303 -0.355 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.469 5.113 0.647 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.553 6.029 -0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.138 6.843 0.898 1.00 0.00 H new ATOM 910 N ARG A 64 0.840 2.222 -7.574 1.00 0.00 N ATOM 911 CA ARG A 64 -0.440 2.259 -8.272 1.00 0.00 C ATOM 912 C ARG A 64 -1.564 1.750 -7.374 1.00 0.00 C ATOM 913 O ARG A 64 -1.553 0.596 -6.943 1.00 0.00 O ATOM 914 CB ARG A 64 -0.373 1.419 -9.549 1.00 0.00 C ATOM 915 CG ARG A 64 -1.564 1.618 -10.472 1.00 0.00 C ATOM 916 CD ARG A 64 -1.353 0.928 -11.811 1.00 0.00 C ATOM 917 NE ARG A 64 -0.497 1.708 -12.700 1.00 0.00 N ATOM 918 CZ ARG A 64 -0.929 2.737 -13.420 1.00 0.00 C ATOM 919 NH1 ARG A 64 -2.200 3.109 -13.354 1.00 0.00 N ATOM 920 NH2 ARG A 64 -0.089 3.398 -14.207 1.00 0.00 N ATOM 0 HA ARG A 64 -0.651 3.295 -8.537 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.540 1.667 -10.090 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.306 0.365 -9.278 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.463 1.226 -9.997 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.727 2.684 -10.632 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -0.907 -0.053 -11.647 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.318 0.763 -12.290 1.00 0.00 H new ATOM 0 HE ARG A 64 0.487 1.448 -12.772 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.848 2.605 -12.749 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.529 3.900 -13.908 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.890 3.116 -14.259 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.422 4.188 -14.759 1.00 0.00 H new ATOM 934 N ILE A 65 -2.531 2.617 -7.097 1.00 0.00 N ATOM 935 CA ILE A 65 -3.662 2.255 -6.252 1.00 0.00 C ATOM 936 C ILE A 65 -4.902 1.958 -7.089 1.00 0.00 C ATOM 937 O ILE A 65 -5.287 2.751 -7.946 1.00 0.00 O ATOM 938 CB ILE A 65 -3.993 3.372 -5.244 1.00 0.00 C ATOM 939 CG1 ILE A 65 -2.785 3.653 -4.347 1.00 0.00 C ATOM 940 CG2 ILE A 65 -5.203 2.989 -4.407 1.00 0.00 C ATOM 941 CD1 ILE A 65 -2.833 5.009 -3.678 1.00 0.00 C ATOM 0 H ILE A 65 -2.554 3.575 -7.445 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.372 1.358 -5.706 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.231 4.281 -5.796 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.724 2.880 -3.581 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.875 3.583 -4.943 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.424 3.788 -3.700 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.062 2.834 -5.059 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.991 2.070 -3.861 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.946 5.140 -3.058 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.863 5.789 -4.439 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.725 5.076 -3.055 1.00 0.00 H new ATOM 953 N GLU A 66 -5.522 0.810 -6.832 1.00 0.00 N ATOM 954 CA GLU A 66 -6.719 0.409 -7.561 1.00 0.00 C ATOM 955 C GLU A 66 -7.891 0.195 -6.608 1.00 0.00 C ATOM 956 O GLU A 66 -7.774 -0.525 -5.617 1.00 0.00 O ATOM 957 CB GLU A 66 -6.454 -0.871 -8.356 1.00 0.00 C ATOM 958 CG GLU A 66 -5.300 -0.750 -9.338 1.00 0.00 C ATOM 959 CD GLU A 66 -5.257 -1.894 -10.332 1.00 0.00 C ATOM 960 OE1 GLU A 66 -5.884 -1.774 -11.405 1.00 0.00 O ATOM 961 OE2 GLU A 66 -4.595 -2.911 -10.035 1.00 0.00 O ATOM 0 H GLU A 66 -5.215 0.142 -6.125 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.977 1.211 -8.252 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.245 -1.684 -7.661 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.357 -1.143 -8.902 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.385 0.193 -9.878 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.360 -0.717 -8.786 1.00 0.00 H new ATOM 1014 N LEU A 70 -15.271 -2.416 -2.970 1.00 0.00 N ATOM 1015 CA LEU A 70 -14.660 -3.094 -1.832 1.00 0.00 C ATOM 1016 C LEU A 70 -13.435 -3.893 -2.268 1.00 0.00 C ATOM 1017 O LEU A 70 -13.201 -5.000 -1.785 1.00 0.00 O ATOM 1018 CB LEU A 70 -15.674 -4.022 -1.161 1.00 0.00 C ATOM 1019 CG LEU A 70 -16.721 -4.649 -2.081 1.00 0.00 C ATOM 1020 CD1 LEU A 70 -17.126 -6.024 -1.570 1.00 0.00 C ATOM 1021 CD2 LEU A 70 -17.938 -3.744 -2.201 1.00 0.00 C ATOM 0 HA LEU A 70 -14.342 -2.335 -1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -15.129 -4.824 -0.664 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -16.192 -3.460 -0.384 1.00 0.00 H new ATOM 0 HG LEU A 70 -16.282 -4.766 -3.072 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -17.872 -6.455 -2.238 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -16.250 -6.672 -1.537 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -17.546 -5.931 -0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -18.672 -4.207 -2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -18.378 -3.594 -1.215 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -17.636 -2.781 -2.614 1.00 0.00 H new ATOM 1033 N GLN A 71 -12.658 -3.321 -3.183 1.00 0.00 N ATOM 1034 CA GLN A 71 -11.456 -3.980 -3.682 1.00 0.00 C ATOM 1035 C GLN A 71 -10.292 -2.998 -3.765 1.00 0.00 C ATOM 1036 O GLN A 71 -10.240 -2.155 -4.660 1.00 0.00 O ATOM 1037 CB GLN A 71 -11.720 -4.593 -5.058 1.00 0.00 C ATOM 1038 CG GLN A 71 -10.734 -5.686 -5.437 1.00 0.00 C ATOM 1039 CD GLN A 71 -11.237 -6.560 -6.569 1.00 0.00 C ATOM 1040 OE1 GLN A 71 -12.405 -6.949 -6.596 1.00 0.00 O ATOM 1041 NE2 GLN A 71 -10.356 -6.873 -7.511 1.00 0.00 N ATOM 0 H GLN A 71 -12.839 -2.405 -3.593 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.190 -4.773 -2.983 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -12.729 -5.004 -5.076 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.683 -3.805 -5.810 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.787 -5.231 -5.728 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.534 -6.308 -4.564 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.398 -6.528 -7.448 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -10.637 -7.458 -8.298 1.00 0.00 H new ATOM 1050 N HIS A 72 -9.360 -3.113 -2.824 1.00 0.00 N ATOM 1051 CA HIS A 72 -8.195 -2.236 -2.790 1.00 0.00 C ATOM 1052 C HIS A 72 -6.919 -3.015 -3.092 1.00 0.00 C ATOM 1053 O HIS A 72 -6.711 -4.111 -2.570 1.00 0.00 O ATOM 1054 CB HIS A 72 -8.081 -1.556 -1.426 1.00 0.00 C ATOM 1055 CG HIS A 72 -9.274 -0.723 -1.070 1.00 0.00 C ATOM 1056 ND1 HIS A 72 -10.322 -0.980 -0.253 1.00 0.00 N flip ATOM 1057 CD2 HIS A 72 -9.487 0.541 -1.578 1.00 0.00 C flip ATOM 1058 CE1 HIS A 72 -11.140 0.122 -0.281 1.00 0.00 C flip ATOM 1059 NE2 HIS A 72 -10.614 1.026 -1.087 1.00 0.00 N flip ATOM 0 H HIS A 72 -9.389 -3.805 -2.075 1.00 0.00 H new ATOM 0 HA HIS A 72 -8.324 -1.473 -3.558 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -7.939 -2.318 -0.660 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -7.192 -0.925 -1.417 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -8.835 1.054 -2.269 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -12.064 0.232 0.267 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -11.010 1.943 -1.295 1.00 0.00 H new ATOM 1067 N ARG A 73 -6.067 -2.443 -3.937 1.00 0.00 N ATOM 1068 CA ARG A 73 -4.813 -3.085 -4.309 1.00 0.00 C ATOM 1069 C ARG A 73 -3.718 -2.047 -4.538 1.00 0.00 C ATOM 1070 O ARG A 73 -3.875 -1.132 -5.348 1.00 0.00 O ATOM 1071 CB ARG A 73 -5.002 -3.930 -5.571 1.00 0.00 C ATOM 1072 CG ARG A 73 -4.064 -5.124 -5.650 1.00 0.00 C ATOM 1073 CD ARG A 73 -4.075 -5.749 -7.037 1.00 0.00 C ATOM 1074 NE ARG A 73 -5.424 -6.113 -7.462 1.00 0.00 N ATOM 1075 CZ ARG A 73 -5.679 -7.027 -8.392 1.00 0.00 C ATOM 1076 NH1 ARG A 73 -4.683 -7.665 -8.990 1.00 0.00 N ATOM 1077 NH2 ARG A 73 -6.933 -7.304 -8.725 1.00 0.00 N ATOM 0 H ARG A 73 -6.223 -1.536 -4.377 1.00 0.00 H new ATOM 0 HA ARG A 73 -4.509 -3.734 -3.488 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -6.032 -4.285 -5.610 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.849 -3.299 -6.447 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.051 -4.810 -5.399 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.359 -5.869 -4.911 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.646 -5.049 -7.754 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.442 -6.636 -7.040 1.00 0.00 H new ATOM 0 HE ARG A 73 -6.213 -5.640 -7.021 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.718 -7.455 -8.737 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.882 -8.366 -9.704 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -7.702 -6.815 -8.267 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.128 -8.006 -9.439 1.00 0.00 H new ATOM 1091 N LEU A 74 -2.610 -2.196 -3.821 1.00 0.00 N ATOM 1092 CA LEU A 74 -1.488 -1.271 -3.945 1.00 0.00 C ATOM 1093 C LEU A 74 -0.264 -1.974 -4.524 1.00 0.00 C ATOM 1094 O LEU A 74 0.305 -2.868 -3.896 1.00 0.00 O ATOM 1095 CB LEU A 74 -1.146 -0.667 -2.582 1.00 0.00 C ATOM 1096 CG LEU A 74 0.210 0.032 -2.479 1.00 0.00 C ATOM 1097 CD1 LEU A 74 0.160 1.397 -3.148 1.00 0.00 C ATOM 1098 CD2 LEU A 74 0.632 0.164 -1.023 1.00 0.00 C ATOM 0 H LEU A 74 -2.464 -2.948 -3.148 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.781 -0.472 -4.626 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.923 0.051 -2.320 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.181 -1.461 -1.836 1.00 0.00 H new ATOM 0 HG LEU A 74 0.951 -0.576 -2.998 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.134 1.879 -3.064 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.096 1.277 -4.201 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.594 2.014 -2.659 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.599 0.664 -0.968 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.110 0.750 -0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.710 -0.827 -0.575 1.00 0.00 H new ATOM 1110 N ILE A 75 0.135 -1.563 -5.723 1.00 0.00 N ATOM 1111 CA ILE A 75 1.293 -2.152 -6.384 1.00 0.00 C ATOM 1112 C ILE A 75 2.506 -1.231 -6.292 1.00 0.00 C ATOM 1113 O ILE A 75 2.394 -0.019 -6.480 1.00 0.00 O ATOM 1114 CB ILE A 75 1.003 -2.453 -7.866 1.00 0.00 C ATOM 1115 CG1 ILE A 75 -0.268 -3.294 -7.999 1.00 0.00 C ATOM 1116 CG2 ILE A 75 2.185 -3.166 -8.504 1.00 0.00 C ATOM 1117 CD1 ILE A 75 -1.525 -2.468 -8.165 1.00 0.00 C ATOM 0 H ILE A 75 -0.326 -0.825 -6.256 1.00 0.00 H new ATOM 0 HA ILE A 75 1.509 -3.087 -5.867 1.00 0.00 H new ATOM 0 HB ILE A 75 0.848 -1.509 -8.389 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.165 -3.960 -8.856 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.371 -3.924 -7.116 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.964 -3.372 -9.551 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.070 -2.534 -8.437 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.369 -4.105 -7.981 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.386 -3.130 -8.253 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.652 -1.821 -7.297 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.443 -1.857 -9.064 1.00 0.00 H new ATOM 1129 N LEU A 76 3.664 -1.814 -6.004 1.00 0.00 N ATOM 1130 CA LEU A 76 4.899 -1.047 -5.889 1.00 0.00 C ATOM 1131 C LEU A 76 5.988 -1.630 -6.784 1.00 0.00 C ATOM 1132 O LEU A 76 6.646 -2.606 -6.422 1.00 0.00 O ATOM 1133 CB LEU A 76 5.375 -1.024 -4.436 1.00 0.00 C ATOM 1134 CG LEU A 76 4.329 -0.631 -3.393 1.00 0.00 C ATOM 1135 CD1 LEU A 76 4.694 -1.197 -2.030 1.00 0.00 C ATOM 1136 CD2 LEU A 76 4.188 0.883 -3.323 1.00 0.00 C ATOM 0 H LEU A 76 3.774 -2.816 -5.846 1.00 0.00 H new ATOM 0 HA LEU A 76 4.695 -0.027 -6.214 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.756 -2.014 -4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 76 6.213 -0.331 -4.360 1.00 0.00 H new ATOM 0 HG LEU A 76 3.370 -1.052 -3.693 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.938 -0.906 -1.301 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.743 -2.284 -2.089 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.664 -0.807 -1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.439 1.144 -2.575 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.145 1.325 -3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.878 1.265 -4.296 1.00 0.00 H new ATOM 1148 N HIS A 77 6.174 -1.025 -7.953 1.00 0.00 N ATOM 1149 CA HIS A 77 7.186 -1.483 -8.898 1.00 0.00 C ATOM 1150 C HIS A 77 8.560 -0.929 -8.535 1.00 0.00 C ATOM 1151 O HIS A 77 8.713 0.269 -8.296 1.00 0.00 O ATOM 1152 CB HIS A 77 6.813 -1.062 -10.320 1.00 0.00 C ATOM 1153 CG HIS A 77 5.336 -0.968 -10.549 1.00 0.00 C ATOM 1154 ND1 HIS A 77 4.455 0.018 -10.256 1.00 0.00 N flip ATOM 1155 CD2 HIS A 77 4.601 -1.971 -11.145 1.00 0.00 C flip ATOM 1156 CE1 HIS A 77 3.218 -0.403 -10.678 1.00 0.00 C flip ATOM 1157 NE2 HIS A 77 3.333 -1.606 -11.211 1.00 0.00 N flip ATOM 0 H HIS A 77 5.637 -0.217 -8.268 1.00 0.00 H new ATOM 0 HA HIS A 77 7.228 -2.571 -8.848 1.00 0.00 H new ATOM 0 HB2 HIS A 77 7.268 -0.095 -10.535 1.00 0.00 H new ATOM 0 HB3 HIS A 77 7.237 -1.777 -11.025 1.00 0.00 H new ATOM 0 HD2 HIS A 77 5.000 -2.909 -11.502 1.00 0.00 H new ATOM 0 HE1 HIS A 77 2.300 0.159 -10.589 1.00 0.00 H new ATOM 0 HE2 HIS A 77 2.572 -2.159 -11.606 1.00 0.00 H new ATOM 1166 N ALA A 78 9.555 -1.808 -8.494 1.00 0.00 N ATOM 1167 CA ALA A 78 10.916 -1.406 -8.161 1.00 0.00 C ATOM 1168 C ALA A 78 11.059 -1.136 -6.667 1.00 0.00 C ATOM 1169 O ALA A 78 11.490 -0.057 -6.259 1.00 0.00 O ATOM 1170 CB ALA A 78 11.314 -0.175 -8.962 1.00 0.00 C ATOM 0 H ALA A 78 9.444 -2.803 -8.687 1.00 0.00 H new ATOM 0 HA ALA A 78 11.584 -2.227 -8.421 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.333 0.114 -8.703 1.00 0.00 H new ATOM 0 HB2 ALA A 78 11.260 -0.401 -10.027 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.634 0.645 -8.731 1.00 0.00 H new ATOM 1176 N VAL A 79 10.694 -2.123 -5.855 1.00 0.00 N ATOM 1177 CA VAL A 79 10.782 -1.992 -4.405 1.00 0.00 C ATOM 1178 C VAL A 79 12.215 -2.186 -3.922 1.00 0.00 C ATOM 1179 O VAL A 79 12.816 -3.240 -4.133 1.00 0.00 O ATOM 1180 CB VAL A 79 9.870 -3.009 -3.694 1.00 0.00 C ATOM 1181 CG1 VAL A 79 8.442 -2.896 -4.207 1.00 0.00 C ATOM 1182 CG2 VAL A 79 10.401 -4.422 -3.879 1.00 0.00 C ATOM 0 H VAL A 79 10.335 -3.022 -6.176 1.00 0.00 H new ATOM 0 HA VAL A 79 10.452 -0.983 -4.157 1.00 0.00 H new ATOM 0 HB VAL A 79 9.867 -2.784 -2.628 1.00 0.00 H new ATOM 0 HG11 VAL A 79 7.812 -3.622 -3.693 1.00 0.00 H new ATOM 0 HG12 VAL A 79 8.066 -1.891 -4.017 1.00 0.00 H new ATOM 0 HG13 VAL A 79 8.424 -3.094 -5.279 1.00 0.00 H new ATOM 0 HG21 VAL A 79 9.744 -5.127 -3.370 1.00 0.00 H new ATOM 0 HG22 VAL A 79 10.436 -4.661 -4.942 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.404 -4.492 -3.458 1.00 0.00 H new ATOM 1192 N LYS A 80 12.758 -1.163 -3.272 1.00 0.00 N ATOM 1193 CA LYS A 80 14.120 -1.219 -2.755 1.00 0.00 C ATOM 1194 C LYS A 80 14.171 -1.984 -1.436 1.00 0.00 C ATOM 1195 O LYS A 80 13.186 -2.036 -0.699 1.00 0.00 O ATOM 1196 CB LYS A 80 14.672 0.194 -2.558 1.00 0.00 C ATOM 1197 CG LYS A 80 14.343 1.140 -3.700 1.00 0.00 C ATOM 1198 CD LYS A 80 14.954 0.669 -5.009 1.00 0.00 C ATOM 1199 CE LYS A 80 16.473 0.752 -4.977 1.00 0.00 C ATOM 1200 NZ LYS A 80 17.064 0.623 -6.337 1.00 0.00 N ATOM 0 H LYS A 80 12.275 -0.283 -3.090 1.00 0.00 H new ATOM 0 HA LYS A 80 14.736 -1.745 -3.484 1.00 0.00 H new ATOM 0 HB2 LYS A 80 14.273 0.605 -1.631 1.00 0.00 H new ATOM 0 HB3 LYS A 80 15.755 0.139 -2.443 1.00 0.00 H new ATOM 0 HG2 LYS A 80 13.261 1.217 -3.809 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.711 2.138 -3.464 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.649 -0.359 -5.205 1.00 0.00 H new ATOM 0 HD3 LYS A 80 14.573 1.277 -5.829 1.00 0.00 H new ATOM 0 HE2 LYS A 80 16.776 1.703 -4.538 1.00 0.00 H new ATOM 0 HE3 LYS A 80 16.866 -0.035 -4.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 18.100 0.685 -6.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 16.797 -0.295 -6.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 16.709 1.389 -6.944 1.00 0.00 H new ATOM 1214 N HIS A 81 15.325 -2.576 -1.145 1.00 0.00 N ATOM 1215 CA HIS A 81 15.504 -3.337 0.087 1.00 0.00 C ATOM 1216 C HIS A 81 15.702 -2.404 1.278 1.00 0.00 C ATOM 1217 O HIS A 81 15.556 -2.813 2.429 1.00 0.00 O ATOM 1218 CB HIS A 81 16.700 -4.281 -0.041 1.00 0.00 C ATOM 1219 CG HIS A 81 17.799 -3.741 -0.904 1.00 0.00 C ATOM 1220 ND1 HIS A 81 17.772 -3.800 -2.281 1.00 0.00 N ATOM 1221 CD2 HIS A 81 18.961 -3.129 -0.578 1.00 0.00 C ATOM 1222 CE1 HIS A 81 18.870 -3.249 -2.765 1.00 0.00 C ATOM 1223 NE2 HIS A 81 19.609 -2.833 -1.752 1.00 0.00 N ATOM 0 H HIS A 81 16.149 -2.544 -1.745 1.00 0.00 H new ATOM 0 HA HIS A 81 14.602 -3.926 0.255 1.00 0.00 H new ATOM 0 HB2 HIS A 81 17.098 -4.487 0.953 1.00 0.00 H new ATOM 0 HB3 HIS A 81 16.360 -5.232 -0.452 1.00 0.00 H new ATOM 0 HD2 HIS A 81 19.313 -2.913 0.420 1.00 0.00 H new ATOM 0 HE1 HIS A 81 19.121 -3.154 -3.811 1.00 0.00 H new ATOM 0 HE2 HIS A 81 20.513 -2.368 -1.829 1.00 0.00 H new ATOM 1232 N GLN A 82 16.036 -1.150 0.991 1.00 0.00 N ATOM 1233 CA GLN A 82 16.255 -0.160 2.039 1.00 0.00 C ATOM 1234 C GLN A 82 14.970 0.102 2.818 1.00 0.00 C ATOM 1235 O GLN A 82 15.003 0.634 3.928 1.00 0.00 O ATOM 1236 CB GLN A 82 16.775 1.146 1.436 1.00 0.00 C ATOM 1237 CG GLN A 82 15.858 1.733 0.375 1.00 0.00 C ATOM 1238 CD GLN A 82 16.350 3.070 -0.145 1.00 0.00 C ATOM 1239 OE1 GLN A 82 17.549 3.272 -0.336 1.00 0.00 O ATOM 1240 NE2 GLN A 82 15.422 3.991 -0.379 1.00 0.00 N ATOM 0 H GLN A 82 16.161 -0.796 0.043 1.00 0.00 H new ATOM 0 HA GLN A 82 17.001 -0.556 2.728 1.00 0.00 H new ATOM 0 HB2 GLN A 82 16.909 1.877 2.233 1.00 0.00 H new ATOM 0 HB3 GLN A 82 17.757 0.969 0.998 1.00 0.00 H new ATOM 0 HG2 GLN A 82 15.774 1.032 -0.456 1.00 0.00 H new ATOM 0 HG3 GLN A 82 14.858 1.855 0.791 1.00 0.00 H new ATOM 0 HE21 GLN A 82 14.439 3.780 -0.206 1.00 0.00 H new ATOM 0 HE22 GLN A 82 15.692 4.909 -0.731 1.00 0.00 H new ATOM 1249 N ASP A 83 13.841 -0.274 2.230 1.00 0.00 N ATOM 1250 CA ASP A 83 12.544 -0.080 2.869 1.00 0.00 C ATOM 1251 C ASP A 83 12.021 -1.392 3.446 1.00 0.00 C ATOM 1252 O ASP A 83 10.868 -1.481 3.867 1.00 0.00 O ATOM 1253 CB ASP A 83 11.538 0.488 1.867 1.00 0.00 C ATOM 1254 CG ASP A 83 11.527 2.004 1.853 1.00 0.00 C ATOM 1255 OD1 ASP A 83 12.407 2.609 2.501 1.00 0.00 O ATOM 1256 OD2 ASP A 83 10.640 2.584 1.194 1.00 0.00 O ATOM 0 H ASP A 83 13.797 -0.715 1.311 1.00 0.00 H new ATOM 0 HA ASP A 83 12.671 0.630 3.686 1.00 0.00 H new ATOM 0 HB2 ASP A 83 11.777 0.120 0.869 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.541 0.123 2.111 1.00 0.00 H new ATOM 1261 N SER A 84 12.877 -2.409 3.461 1.00 0.00 N ATOM 1262 CA SER A 84 12.500 -3.718 3.982 1.00 0.00 C ATOM 1263 C SER A 84 11.658 -3.577 5.246 1.00 0.00 C ATOM 1264 O SER A 84 11.657 -2.530 5.892 1.00 0.00 O ATOM 1265 CB SER A 84 13.749 -4.552 4.277 1.00 0.00 C ATOM 1266 OG SER A 84 14.506 -3.982 5.331 1.00 0.00 O ATOM 0 H SER A 84 13.836 -2.352 3.118 1.00 0.00 H new ATOM 0 HA SER A 84 11.904 -4.226 3.224 1.00 0.00 H new ATOM 0 HB2 SER A 84 13.457 -5.568 4.543 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.364 -4.621 3.380 1.00 0.00 H new ATOM 0 HG SER A 84 15.298 -4.534 5.501 1.00 0.00 H new ATOM 1272 N GLY A 85 10.942 -4.642 5.594 1.00 0.00 N ATOM 1273 CA GLY A 85 10.105 -4.619 6.779 1.00 0.00 C ATOM 1274 C GLY A 85 9.136 -3.453 6.782 1.00 0.00 C ATOM 1275 O GLY A 85 8.841 -2.885 7.833 1.00 0.00 O ATOM 0 H GLY A 85 10.927 -5.521 5.076 1.00 0.00 H new ATOM 0 HA2 GLY A 85 9.546 -5.552 6.843 1.00 0.00 H new ATOM 0 HA3 GLY A 85 10.737 -4.565 7.665 1.00 0.00 H new ATOM 1279 N ALA A 86 8.642 -3.094 5.601 1.00 0.00 N ATOM 1280 CA ALA A 86 7.701 -1.988 5.472 1.00 0.00 C ATOM 1281 C ALA A 86 6.356 -2.335 6.101 1.00 0.00 C ATOM 1282 O ALA A 86 6.080 -3.498 6.400 1.00 0.00 O ATOM 1283 CB ALA A 86 7.521 -1.618 4.007 1.00 0.00 C ATOM 0 H ALA A 86 8.878 -3.553 4.721 1.00 0.00 H new ATOM 0 HA ALA A 86 8.111 -1.130 6.005 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.816 -0.791 3.925 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.481 -1.319 3.586 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.137 -2.478 3.459 1.00 0.00 H new ATOM 1289 N LEU A 87 5.522 -1.320 6.300 1.00 0.00 N ATOM 1290 CA LEU A 87 4.205 -1.518 6.895 1.00 0.00 C ATOM 1291 C LEU A 87 3.104 -1.055 5.947 1.00 0.00 C ATOM 1292 O LEU A 87 2.769 0.128 5.897 1.00 0.00 O ATOM 1293 CB LEU A 87 4.104 -0.761 8.221 1.00 0.00 C ATOM 1294 CG LEU A 87 3.198 -1.386 9.283 1.00 0.00 C ATOM 1295 CD1 LEU A 87 1.819 -1.669 8.709 1.00 0.00 C ATOM 1296 CD2 LEU A 87 3.822 -2.661 9.832 1.00 0.00 C ATOM 0 H LEU A 87 5.734 -0.352 6.058 1.00 0.00 H new ATOM 0 HA LEU A 87 4.074 -2.584 7.081 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.106 -0.664 8.638 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.746 0.248 8.014 1.00 0.00 H new ATOM 0 HG LEU A 87 3.088 -0.677 10.103 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.189 -2.113 9.479 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.370 -0.737 8.365 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.909 -2.360 7.870 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.164 -3.092 10.586 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.962 -3.376 9.021 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.787 -2.429 10.282 1.00 0.00 H new ATOM 1308 N VAL A 88 2.543 -1.998 5.196 1.00 0.00 N ATOM 1309 CA VAL A 88 1.477 -1.687 4.251 1.00 0.00 C ATOM 1310 C VAL A 88 0.107 -1.996 4.846 1.00 0.00 C ATOM 1311 O VAL A 88 -0.285 -3.157 4.958 1.00 0.00 O ATOM 1312 CB VAL A 88 1.643 -2.476 2.938 1.00 0.00 C ATOM 1313 CG1 VAL A 88 0.566 -2.083 1.938 1.00 0.00 C ATOM 1314 CG2 VAL A 88 3.030 -2.253 2.355 1.00 0.00 C ATOM 0 H VAL A 88 2.809 -2.982 5.224 1.00 0.00 H new ATOM 0 HA VAL A 88 1.545 -0.620 4.037 1.00 0.00 H new ATOM 0 HB VAL A 88 1.532 -3.538 3.156 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.700 -2.651 1.017 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.416 -2.299 2.358 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.642 -1.017 1.722 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.130 -2.818 1.428 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.173 -1.192 2.151 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.783 -2.590 3.068 1.00 0.00 H new ATOM 1324 N GLY A 89 -0.617 -0.947 5.226 1.00 0.00 N ATOM 1325 CA GLY A 89 -1.935 -1.127 5.805 1.00 0.00 C ATOM 1326 C GLY A 89 -2.954 -0.158 5.240 1.00 0.00 C ATOM 1327 O GLY A 89 -2.608 0.953 4.838 1.00 0.00 O ATOM 0 H GLY A 89 -0.314 0.023 5.143 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.271 -2.148 5.625 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.875 -0.997 6.886 1.00 0.00 H new ATOM 1331 N PHE A 90 -4.214 -0.578 5.207 1.00 0.00 N ATOM 1332 CA PHE A 90 -5.286 0.260 4.684 1.00 0.00 C ATOM 1333 C PHE A 90 -6.240 0.681 5.798 1.00 0.00 C ATOM 1334 O PHE A 90 -7.033 -0.123 6.288 1.00 0.00 O ATOM 1335 CB PHE A 90 -6.057 -0.484 3.591 1.00 0.00 C ATOM 1336 CG PHE A 90 -7.419 0.090 3.321 1.00 0.00 C ATOM 1337 CD1 PHE A 90 -7.571 1.182 2.482 1.00 0.00 C ATOM 1338 CD2 PHE A 90 -8.546 -0.463 3.907 1.00 0.00 C ATOM 1339 CE1 PHE A 90 -8.823 1.712 2.233 1.00 0.00 C ATOM 1340 CE2 PHE A 90 -9.801 0.063 3.661 1.00 0.00 C ATOM 1341 CZ PHE A 90 -9.939 1.151 2.822 1.00 0.00 C ATOM 0 H PHE A 90 -4.518 -1.494 5.536 1.00 0.00 H new ATOM 0 HA PHE A 90 -4.837 1.156 4.256 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.475 -0.465 2.670 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -6.163 -1.530 3.880 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.702 1.624 2.018 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -8.443 -1.315 4.563 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -8.928 2.564 1.578 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -10.672 -0.376 4.124 1.00 0.00 H new ATOM 0 HZ PHE A 90 -10.918 1.563 2.627 1.00 0.00 H new ATOM 1351 N SER A 91 -6.156 1.947 6.193 1.00 0.00 N ATOM 1352 CA SER A 91 -7.008 2.476 7.252 1.00 0.00 C ATOM 1353 C SER A 91 -8.314 3.019 6.679 1.00 0.00 C ATOM 1354 O SER A 91 -8.310 3.781 5.711 1.00 0.00 O ATOM 1355 CB SER A 91 -6.278 3.578 8.021 1.00 0.00 C ATOM 1356 OG SER A 91 -5.892 4.633 7.157 1.00 0.00 O ATOM 0 H SER A 91 -5.507 2.626 5.796 1.00 0.00 H new ATOM 0 HA SER A 91 -7.243 1.661 7.936 1.00 0.00 H new ATOM 0 HB2 SER A 91 -6.925 3.966 8.808 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.396 3.162 8.509 1.00 0.00 H new ATOM 0 HG SER A 91 -4.924 4.598 7.010 1.00 0.00 H new ATOM 1362 N CYS A 92 -9.428 2.622 7.283 1.00 0.00 N ATOM 1363 CA CYS A 92 -10.742 3.068 6.833 1.00 0.00 C ATOM 1364 C CYS A 92 -11.716 3.157 8.004 1.00 0.00 C ATOM 1365 O CYS A 92 -11.546 2.507 9.035 1.00 0.00 O ATOM 1366 CB CYS A 92 -11.290 2.116 5.769 1.00 0.00 C ATOM 1367 SG CYS A 92 -12.335 0.796 6.428 1.00 0.00 S ATOM 0 H CYS A 92 -9.448 1.992 8.085 1.00 0.00 H new ATOM 0 HA CYS A 92 -10.632 4.062 6.399 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -11.864 2.691 5.043 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -10.454 1.669 5.231 1.00 0.00 H new ATOM 0 HG CYS A 92 -12.752 0.045 5.452 1.00 0.00 H new ATOM 1373 N PRO A 93 -12.761 3.982 7.843 1.00 0.00 N ATOM 1374 CA PRO A 93 -13.783 4.176 8.876 1.00 0.00 C ATOM 1375 C PRO A 93 -14.660 2.943 9.064 1.00 0.00 C ATOM 1376 O PRO A 93 -15.783 2.886 8.564 1.00 0.00 O ATOM 1377 CB PRO A 93 -14.612 5.346 8.339 1.00 0.00 C ATOM 1378 CG PRO A 93 -14.424 5.297 6.862 1.00 0.00 C ATOM 1379 CD PRO A 93 -13.027 4.788 6.639 1.00 0.00 C ATOM 0 HA PRO A 93 -13.342 4.362 9.855 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -15.663 5.243 8.608 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -14.270 6.296 8.750 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -15.158 4.639 6.397 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -14.555 6.284 6.419 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -12.958 4.189 5.731 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -12.313 5.605 6.537 1.00 0.00 H new ATOM 1387 N GLY A 94 -14.140 1.957 9.788 1.00 0.00 N ATOM 1388 CA GLY A 94 -14.890 0.738 10.029 1.00 0.00 C ATOM 1389 C GLY A 94 -14.000 -0.488 10.084 1.00 0.00 C ATOM 1390 O GLY A 94 -14.410 -1.540 10.576 1.00 0.00 O ATOM 0 H GLY A 94 -13.213 1.980 10.212 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -15.435 0.830 10.968 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -15.632 0.610 9.241 1.00 0.00 H new ATOM 1394 N VAL A 95 -12.780 -0.355 9.575 1.00 0.00 N ATOM 1395 CA VAL A 95 -11.830 -1.462 9.567 1.00 0.00 C ATOM 1396 C VAL A 95 -10.411 -0.970 9.825 1.00 0.00 C ATOM 1397 O VAL A 95 -10.048 0.140 9.436 1.00 0.00 O ATOM 1398 CB VAL A 95 -11.863 -2.220 8.226 1.00 0.00 C ATOM 1399 CG1 VAL A 95 -10.717 -3.217 8.148 1.00 0.00 C ATOM 1400 CG2 VAL A 95 -13.202 -2.919 8.043 1.00 0.00 C ATOM 0 H VAL A 95 -12.426 0.508 9.163 1.00 0.00 H new ATOM 0 HA VAL A 95 -12.127 -2.140 10.367 1.00 0.00 H new ATOM 0 HB VAL A 95 -11.741 -1.499 7.417 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -10.757 -3.743 7.194 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -9.768 -2.688 8.231 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -10.804 -3.936 8.963 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -13.208 -3.450 7.091 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -13.356 -3.629 8.855 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -14.003 -2.179 8.052 1.00 0.00 H new ATOM 1410 N GLN A 96 -9.611 -1.804 10.482 1.00 0.00 N ATOM 1411 CA GLN A 96 -8.230 -1.453 10.792 1.00 0.00 C ATOM 1412 C GLN A 96 -7.326 -2.678 10.710 1.00 0.00 C ATOM 1413 O GLN A 96 -7.356 -3.543 11.585 1.00 0.00 O ATOM 1414 CB GLN A 96 -8.141 -0.830 12.187 1.00 0.00 C ATOM 1415 CG GLN A 96 -6.715 -0.660 12.687 1.00 0.00 C ATOM 1416 CD GLN A 96 -6.623 -0.670 14.200 1.00 0.00 C ATOM 1417 OE1 GLN A 96 -6.042 -1.580 14.792 1.00 0.00 O ATOM 1418 NE2 GLN A 96 -7.196 0.346 14.834 1.00 0.00 N ATOM 0 H GLN A 96 -9.895 -2.727 10.810 1.00 0.00 H new ATOM 0 HA GLN A 96 -7.892 -0.725 10.055 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -8.631 0.144 12.173 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -8.692 -1.454 12.891 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.095 -1.460 12.284 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.311 0.279 12.308 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -7.667 1.078 14.303 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.165 0.394 15.852 1.00 0.00 H new ATOM 1427 N ASP A 97 -6.523 -2.744 9.654 1.00 0.00 N ATOM 1428 CA ASP A 97 -5.608 -3.863 9.458 1.00 0.00 C ATOM 1429 C ASP A 97 -4.388 -3.433 8.649 1.00 0.00 C ATOM 1430 O ASP A 97 -4.428 -2.433 7.932 1.00 0.00 O ATOM 1431 CB ASP A 97 -6.323 -5.016 8.752 1.00 0.00 C ATOM 1432 CG ASP A 97 -5.764 -6.370 9.142 1.00 0.00 C ATOM 1433 OD1 ASP A 97 -6.073 -6.841 10.256 1.00 0.00 O ATOM 1434 OD2 ASP A 97 -5.018 -6.959 8.332 1.00 0.00 O ATOM 0 H ASP A 97 -6.487 -2.036 8.920 1.00 0.00 H new ATOM 0 HA ASP A 97 -5.271 -4.200 10.438 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -7.386 -4.982 8.992 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -6.236 -4.887 7.673 1.00 0.00 H new ATOM 1439 N SER A 98 -3.306 -4.194 8.770 1.00 0.00 N ATOM 1440 CA SER A 98 -2.073 -3.889 8.054 1.00 0.00 C ATOM 1441 C SER A 98 -1.223 -5.144 7.876 1.00 0.00 C ATOM 1442 O SER A 98 -1.396 -6.130 8.591 1.00 0.00 O ATOM 1443 CB SER A 98 -1.273 -2.821 8.804 1.00 0.00 C ATOM 1444 OG SER A 98 -1.027 -3.215 10.143 1.00 0.00 O ATOM 0 H SER A 98 -3.258 -5.027 9.357 1.00 0.00 H new ATOM 0 HA SER A 98 -2.340 -3.508 7.068 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.326 -2.646 8.293 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.820 -1.878 8.794 1.00 0.00 H new ATOM 0 HG SER A 98 -0.657 -2.458 10.644 1.00 0.00 H new ATOM 1450 N ALA A 99 -0.306 -5.098 6.915 1.00 0.00 N ATOM 1451 CA ALA A 99 0.572 -6.229 6.643 1.00 0.00 C ATOM 1452 C ALA A 99 2.038 -5.829 6.767 1.00 0.00 C ATOM 1453 O ALA A 99 2.354 -4.674 7.051 1.00 0.00 O ATOM 1454 CB ALA A 99 0.292 -6.792 5.258 1.00 0.00 C ATOM 0 H ALA A 99 -0.152 -4.290 6.312 1.00 0.00 H new ATOM 0 HA ALA A 99 0.370 -7.001 7.385 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.955 -7.636 5.068 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -0.745 -7.125 5.203 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.465 -6.019 4.509 1.00 0.00 H new ATOM 1460 N ALA A 100 2.930 -6.791 6.553 1.00 0.00 N ATOM 1461 CA ALA A 100 4.363 -6.538 6.640 1.00 0.00 C ATOM 1462 C ALA A 100 5.052 -6.822 5.310 1.00 0.00 C ATOM 1463 O ALA A 100 4.864 -7.885 4.716 1.00 0.00 O ATOM 1464 CB ALA A 100 4.981 -7.378 7.747 1.00 0.00 C ATOM 0 H ALA A 100 2.685 -7.753 6.318 1.00 0.00 H new ATOM 0 HA ALA A 100 4.507 -5.484 6.876 1.00 0.00 H new ATOM 0 HB1 ALA A 100 6.051 -7.179 7.800 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.516 -7.123 8.700 1.00 0.00 H new ATOM 0 HB3 ALA A 100 4.819 -8.435 7.535 1.00 0.00 H new ATOM 1470 N LEU A 101 5.850 -5.866 4.846 1.00 0.00 N ATOM 1471 CA LEU A 101 6.567 -6.014 3.584 1.00 0.00 C ATOM 1472 C LEU A 101 8.028 -6.377 3.828 1.00 0.00 C ATOM 1473 O LEU A 101 8.674 -5.833 4.725 1.00 0.00 O ATOM 1474 CB LEU A 101 6.480 -4.721 2.771 1.00 0.00 C ATOM 1475 CG LEU A 101 7.293 -4.686 1.477 1.00 0.00 C ATOM 1476 CD1 LEU A 101 6.572 -5.443 0.372 1.00 0.00 C ATOM 1477 CD2 LEU A 101 7.561 -3.249 1.054 1.00 0.00 C ATOM 0 H LEU A 101 6.017 -4.981 5.324 1.00 0.00 H new ATOM 0 HA LEU A 101 6.100 -6.822 3.021 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.434 -4.540 2.524 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.806 -3.895 3.403 1.00 0.00 H new ATOM 0 HG LEU A 101 8.250 -5.175 1.659 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.166 -5.407 -0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.432 -6.481 0.673 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.600 -4.984 0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.141 -3.244 0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.614 -2.735 0.890 1.00 0.00 H new ATOM 0 HD23 LEU A 101 8.121 -2.738 1.837 1.00 0.00 H new ATOM 1489 N THR A 102 8.546 -7.300 3.023 1.00 0.00 N ATOM 1490 CA THR A 102 9.931 -7.735 3.150 1.00 0.00 C ATOM 1491 C THR A 102 10.625 -7.765 1.793 1.00 0.00 C ATOM 1492 O THR A 102 9.997 -8.040 0.770 1.00 0.00 O ATOM 1493 CB THR A 102 10.024 -9.132 3.792 1.00 0.00 C ATOM 1494 OG1 THR A 102 9.440 -9.111 5.099 1.00 0.00 O ATOM 1495 CG2 THR A 102 11.472 -9.590 3.885 1.00 0.00 C ATOM 0 H THR A 102 8.026 -7.761 2.276 1.00 0.00 H new ATOM 0 HA THR A 102 10.431 -7.012 3.795 1.00 0.00 H new ATOM 0 HB THR A 102 9.477 -9.834 3.162 1.00 0.00 H new ATOM 0 HG1 THR A 102 9.502 -10.003 5.499 1.00 0.00 H new ATOM 0 HG21 THR A 102 11.512 -10.579 4.342 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.905 -9.634 2.885 1.00 0.00 H new ATOM 0 HG23 THR A 102 12.038 -8.886 4.495 1.00 0.00 H new ATOM 1503 N ILE A 103 11.922 -7.480 1.791 1.00 0.00 N ATOM 1504 CA ILE A 103 12.701 -7.476 0.559 1.00 0.00 C ATOM 1505 C ILE A 103 14.106 -8.020 0.794 1.00 0.00 C ATOM 1506 O ILE A 103 14.932 -7.374 1.438 1.00 0.00 O ATOM 1507 CB ILE A 103 12.805 -6.059 -0.037 1.00 0.00 C ATOM 1508 CG1 ILE A 103 11.410 -5.479 -0.277 1.00 0.00 C ATOM 1509 CG2 ILE A 103 13.603 -6.086 -1.332 1.00 0.00 C ATOM 1510 CD1 ILE A 103 11.387 -3.969 -0.349 1.00 0.00 C ATOM 0 H ILE A 103 12.456 -7.249 2.629 1.00 0.00 H new ATOM 0 HA ILE A 103 12.178 -8.121 -0.147 1.00 0.00 H new ATOM 0 HB ILE A 103 13.326 -5.419 0.675 1.00 0.00 H new ATOM 0 HG12 ILE A 103 11.012 -5.885 -1.207 1.00 0.00 H new ATOM 0 HG13 ILE A 103 10.747 -5.806 0.524 1.00 0.00 H new ATOM 0 HG21 ILE A 103 13.668 -5.078 -1.741 1.00 0.00 H new ATOM 0 HG22 ILE A 103 14.607 -6.462 -1.133 1.00 0.00 H new ATOM 0 HG23 ILE A 103 13.107 -6.738 -2.051 1.00 0.00 H new ATOM 0 HD11 ILE A 103 10.366 -3.628 -0.521 1.00 0.00 H new ATOM 0 HD12 ILE A 103 11.755 -3.554 0.590 1.00 0.00 H new ATOM 0 HD13 ILE A 103 12.024 -3.634 -1.168 1.00 0.00 H new ATOM 1522 N GLN A 104 14.369 -9.212 0.268 1.00 0.00 N ATOM 1523 CA GLN A 104 15.674 -9.843 0.420 1.00 0.00 C ATOM 1524 C GLN A 104 16.621 -9.412 -0.696 1.00 0.00 C ATOM 1525 O GLN A 104 16.262 -9.444 -1.872 1.00 0.00 O ATOM 1526 CB GLN A 104 15.531 -11.366 0.424 1.00 0.00 C ATOM 1527 CG GLN A 104 14.573 -11.884 1.485 1.00 0.00 C ATOM 1528 CD GLN A 104 15.231 -12.034 2.842 1.00 0.00 C ATOM 1529 OE1 GLN A 104 16.418 -12.348 2.939 1.00 0.00 O ATOM 1530 NE2 GLN A 104 14.462 -11.809 3.901 1.00 0.00 N ATOM 0 H GLN A 104 13.695 -9.760 -0.267 1.00 0.00 H new ATOM 0 HA GLN A 104 16.095 -9.522 1.373 1.00 0.00 H new ATOM 0 HB2 GLN A 104 15.185 -11.693 -0.557 1.00 0.00 H new ATOM 0 HB3 GLN A 104 16.512 -11.814 0.582 1.00 0.00 H new ATOM 0 HG2 GLN A 104 13.727 -11.202 1.569 1.00 0.00 H new ATOM 0 HG3 GLN A 104 14.175 -12.849 1.170 1.00 0.00 H new ATOM 0 HE21 GLN A 104 13.483 -11.551 3.775 1.00 0.00 H new ATOM 0 HE22 GLN A 104 14.850 -11.894 4.840 1.00 0.00 H new ATOM 1539 N GLU A 105 17.830 -9.010 -0.317 1.00 0.00 N ATOM 1540 CA GLU A 105 18.827 -8.572 -1.287 1.00 0.00 C ATOM 1541 C GLU A 105 19.113 -9.671 -2.307 1.00 0.00 C ATOM 1542 O GLU A 105 19.023 -10.858 -1.998 1.00 0.00 O ATOM 1543 CB GLU A 105 20.121 -8.172 -0.576 1.00 0.00 C ATOM 1544 CG GLU A 105 20.152 -6.716 -0.141 1.00 0.00 C ATOM 1545 CD GLU A 105 20.731 -5.802 -1.203 1.00 0.00 C ATOM 1546 OE1 GLU A 105 20.552 -6.098 -2.403 1.00 0.00 O ATOM 1547 OE2 GLU A 105 21.362 -4.790 -0.834 1.00 0.00 O ATOM 0 H GLU A 105 18.143 -8.979 0.653 1.00 0.00 H new ATOM 0 HA GLU A 105 18.428 -7.706 -1.814 1.00 0.00 H new ATOM 0 HB2 GLU A 105 20.256 -8.807 0.300 1.00 0.00 H new ATOM 0 HB3 GLU A 105 20.964 -8.362 -1.240 1.00 0.00 H new ATOM 0 HG2 GLU A 105 19.140 -6.391 0.100 1.00 0.00 H new ATOM 0 HG3 GLU A 105 20.742 -6.626 0.771 1.00 0.00 H new