USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 712 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 Set 1.1: A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -62:sc= 0.242 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 1:sc= 0.038 USER MOD Single : A 38 CYS SG : rot -73:sc= 0.109 USER MOD Single : A 47 THR OG1 : rot 25:sc= 0.102 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= -0.209 USER MOD Single : A 62 GLN : amide:sc= -0.603 K(o=-0.6,f=-1.5!) USER MOD Single : A 63 LYS NZ :NH3+ 153:sc= -0.722 (180deg=-1.77!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.128 K(o=-0.13,f=-2.3) USER MOD Single : A 80 SER OG : rot -68:sc= 0.999 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 CYS SG : rot 101:sc= -0.349 USER MOD Single : A 91 SER OG : rot 180:sc= -0.0515 USER MOD Single : A 93 SER OG : rot 130:sc= -1.38 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 130 N TRP A 13 11.262 -14.174 -4.231 1.00 0.00 N ATOM 131 CA TRP A 13 11.351 -12.824 -4.775 1.00 0.00 C ATOM 132 C TRP A 13 11.202 -11.782 -3.672 1.00 0.00 C ATOM 133 O TRP A 13 12.037 -10.887 -3.535 1.00 0.00 O ATOM 134 CB TRP A 13 10.278 -12.611 -5.844 1.00 0.00 C ATOM 135 CG TRP A 13 10.690 -13.090 -7.203 1.00 0.00 C ATOM 136 CD1 TRP A 13 10.209 -14.182 -7.867 1.00 0.00 C ATOM 137 CD2 TRP A 13 11.669 -12.495 -8.061 1.00 0.00 C ATOM 138 NE1 TRP A 13 10.829 -14.301 -9.087 1.00 0.00 N ATOM 139 CE2 TRP A 13 11.729 -13.278 -9.231 1.00 0.00 C ATOM 140 CE3 TRP A 13 12.499 -11.376 -7.957 1.00 0.00 C ATOM 141 CZ2 TRP A 13 12.586 -12.976 -10.285 1.00 0.00 C ATOM 142 CZ3 TRP A 13 13.350 -11.078 -9.005 1.00 0.00 C ATOM 143 CH2 TRP A 13 13.388 -11.875 -10.156 1.00 0.00 C ATOM 0 HA TRP A 13 12.335 -12.706 -5.230 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.368 -13.131 -5.544 1.00 0.00 H new ATOM 0 HB3 TRP A 13 10.036 -11.550 -5.899 1.00 0.00 H new ATOM 0 HD1 TRP A 13 9.452 -14.853 -7.489 1.00 0.00 H new ATOM 0 HE1 TRP A 13 10.649 -15.033 -9.774 1.00 0.00 H new ATOM 0 HE3 TRP A 13 12.476 -10.755 -7.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 12.617 -13.589 -11.174 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 13.997 -10.216 -8.935 1.00 0.00 H new ATOM 0 HH2 TRP A 13 14.064 -11.615 -10.958 1.00 0.00 H new ATOM 154 N ILE A 14 10.135 -11.903 -2.889 1.00 0.00 N ATOM 155 CA ILE A 14 9.879 -10.972 -1.798 1.00 0.00 C ATOM 156 C ILE A 14 10.848 -11.198 -0.643 1.00 0.00 C ATOM 157 O ILE A 14 10.662 -12.104 0.170 1.00 0.00 O ATOM 158 CB ILE A 14 8.436 -11.100 -1.275 1.00 0.00 C ATOM 159 CG1 ILE A 14 7.437 -10.861 -2.409 1.00 0.00 C ATOM 160 CG2 ILE A 14 8.197 -10.122 -0.135 1.00 0.00 C ATOM 161 CD1 ILE A 14 6.084 -11.493 -2.166 1.00 0.00 C ATOM 0 H ILE A 14 9.434 -12.637 -2.990 1.00 0.00 H new ATOM 0 HA ILE A 14 10.024 -9.969 -2.199 1.00 0.00 H new ATOM 0 HB ILE A 14 8.291 -12.111 -0.895 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.308 -9.788 -2.548 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.852 -11.255 -3.337 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.173 -10.225 0.224 1.00 0.00 H new ATOM 0 HG22 ILE A 14 8.890 -10.336 0.679 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.357 -9.104 -0.490 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.427 -11.283 -3.010 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.200 -12.571 -2.057 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.648 -11.081 -1.256 1.00 0.00 H new ATOM 173 N VAL A 15 11.884 -10.367 -0.575 1.00 0.00 N ATOM 174 CA VAL A 15 12.882 -10.475 0.483 1.00 0.00 C ATOM 175 C VAL A 15 12.348 -9.924 1.800 1.00 0.00 C ATOM 176 O VAL A 15 12.803 -10.310 2.877 1.00 0.00 O ATOM 177 CB VAL A 15 14.175 -9.725 0.112 1.00 0.00 C ATOM 178 CG1 VAL A 15 13.917 -8.229 0.019 1.00 0.00 C ATOM 179 CG2 VAL A 15 15.272 -10.023 1.123 1.00 0.00 C ATOM 0 H VAL A 15 12.054 -9.612 -1.240 1.00 0.00 H new ATOM 0 HA VAL A 15 13.106 -11.535 0.601 1.00 0.00 H new ATOM 0 HB VAL A 15 14.509 -10.073 -0.866 1.00 0.00 H new ATOM 0 HG11 VAL A 15 14.842 -7.716 -0.244 1.00 0.00 H new ATOM 0 HG12 VAL A 15 13.165 -8.036 -0.746 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.559 -7.861 0.980 1.00 0.00 H new ATOM 0 HG21 VAL A 15 16.178 -9.485 0.846 1.00 0.00 H new ATOM 0 HG22 VAL A 15 14.950 -9.704 2.114 1.00 0.00 H new ATOM 0 HG23 VAL A 15 15.475 -11.094 1.135 1.00 0.00 H new ATOM 189 N TYR A 16 11.379 -9.020 1.707 1.00 0.00 N ATOM 190 CA TYR A 16 10.783 -8.414 2.892 1.00 0.00 C ATOM 191 C TYR A 16 9.519 -7.640 2.531 1.00 0.00 C ATOM 192 O TYR A 16 9.411 -7.041 1.460 1.00 0.00 O ATOM 193 CB TYR A 16 11.787 -7.483 3.574 1.00 0.00 C ATOM 194 CG TYR A 16 11.144 -6.466 4.490 1.00 0.00 C ATOM 195 CD1 TYR A 16 10.352 -5.445 3.978 1.00 0.00 C ATOM 196 CD2 TYR A 16 11.329 -6.525 5.865 1.00 0.00 C ATOM 197 CE1 TYR A 16 9.763 -4.512 4.811 1.00 0.00 C ATOM 198 CE2 TYR A 16 10.743 -5.598 6.705 1.00 0.00 C ATOM 199 CZ TYR A 16 9.961 -4.593 6.173 1.00 0.00 C ATOM 200 OH TYR A 16 9.377 -3.667 7.007 1.00 0.00 O ATOM 0 H TYR A 16 10.990 -8.691 0.824 1.00 0.00 H new ATOM 0 HA TYR A 16 10.513 -9.214 3.581 1.00 0.00 H new ATOM 0 HB2 TYR A 16 12.493 -8.082 4.149 1.00 0.00 H new ATOM 0 HB3 TYR A 16 12.361 -6.959 2.810 1.00 0.00 H new ATOM 0 HD1 TYR A 16 10.194 -5.379 2.912 1.00 0.00 H new ATOM 0 HD2 TYR A 16 11.942 -7.309 6.285 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.151 -3.724 4.397 1.00 0.00 H new ATOM 0 HE2 TYR A 16 10.896 -5.659 7.772 1.00 0.00 H new ATOM 0 HH TYR A 16 9.616 -3.867 7.936 1.00 0.00 H new ATOM 210 N PRO A 17 8.538 -7.651 3.446 1.00 0.00 N ATOM 211 CA PRO A 17 8.655 -8.360 4.723 1.00 0.00 C ATOM 212 C PRO A 17 8.642 -9.875 4.548 1.00 0.00 C ATOM 213 O PRO A 17 8.275 -10.384 3.489 1.00 0.00 O ATOM 214 CB PRO A 17 7.417 -7.901 5.498 1.00 0.00 C ATOM 215 CG PRO A 17 6.432 -7.519 4.448 1.00 0.00 C ATOM 216 CD PRO A 17 7.239 -6.972 3.303 1.00 0.00 C ATOM 0 HA PRO A 17 9.596 -8.140 5.227 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.030 -8.698 6.133 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.648 -7.058 6.149 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.843 -8.380 4.134 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.731 -6.773 4.823 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.774 -7.193 2.342 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.343 -5.889 3.366 1.00 0.00 H new ATOM 224 N SER A 18 9.044 -10.590 5.594 1.00 0.00 N ATOM 225 CA SER A 18 9.082 -12.047 5.554 1.00 0.00 C ATOM 226 C SER A 18 7.892 -12.642 6.301 1.00 0.00 C ATOM 227 O SER A 18 8.056 -13.325 7.310 1.00 0.00 O ATOM 228 CB SER A 18 10.388 -12.562 6.162 1.00 0.00 C ATOM 229 OG SER A 18 10.455 -13.976 6.106 1.00 0.00 O ATOM 0 H SER A 18 9.348 -10.184 6.479 1.00 0.00 H new ATOM 0 HA SER A 18 9.028 -12.358 4.511 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.235 -12.133 5.627 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.465 -12.232 7.198 1.00 0.00 H new ATOM 0 HG SER A 18 9.720 -14.359 6.629 1.00 0.00 H new ATOM 235 N GLY A 19 6.691 -12.377 5.795 1.00 0.00 N ATOM 236 CA GLY A 19 5.490 -12.892 6.425 1.00 0.00 C ATOM 237 C GLY A 19 4.324 -11.929 6.326 1.00 0.00 C ATOM 238 O GLY A 19 4.208 -11.180 5.356 1.00 0.00 O ATOM 0 H GLY A 19 6.529 -11.815 4.960 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.216 -13.838 5.958 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.696 -13.102 7.475 1.00 0.00 H new ATOM 242 N LYS A 20 3.454 -11.949 7.330 1.00 0.00 N ATOM 243 CA LYS A 20 2.290 -11.072 7.353 1.00 0.00 C ATOM 244 C LYS A 20 2.594 -9.783 8.110 1.00 0.00 C ATOM 245 O LYS A 20 3.395 -9.775 9.045 1.00 0.00 O ATOM 246 CB LYS A 20 1.100 -11.786 7.998 1.00 0.00 C ATOM 247 CG LYS A 20 0.233 -12.541 7.005 1.00 0.00 C ATOM 248 CD LYS A 20 -1.179 -12.735 7.533 1.00 0.00 C ATOM 249 CE LYS A 20 -1.909 -11.408 7.673 1.00 0.00 C ATOM 250 NZ LYS A 20 -3.374 -11.599 7.865 1.00 0.00 N ATOM 0 H LYS A 20 3.534 -12.564 8.140 1.00 0.00 H new ATOM 0 HA LYS A 20 2.039 -10.817 6.323 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.469 -12.484 8.749 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.486 -11.052 8.520 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.198 -11.995 6.062 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.681 -13.512 6.795 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.734 -13.387 6.859 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.141 -13.235 8.501 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.501 -10.856 8.520 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.735 -10.802 6.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.836 -10.672 7.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.769 -12.103 7.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.541 -12.156 8.727 1.00 0.00 H new ATOM 264 N VAL A 21 1.949 -8.696 7.701 1.00 0.00 N ATOM 265 CA VAL A 21 2.149 -7.402 8.343 1.00 0.00 C ATOM 266 C VAL A 21 0.819 -6.698 8.588 1.00 0.00 C ATOM 267 O VAL A 21 -0.088 -6.757 7.757 1.00 0.00 O ATOM 268 CB VAL A 21 3.052 -6.488 7.494 1.00 0.00 C ATOM 269 CG1 VAL A 21 3.192 -5.120 8.145 1.00 0.00 C ATOM 270 CG2 VAL A 21 4.416 -7.130 7.287 1.00 0.00 C ATOM 0 H VAL A 21 1.283 -8.685 6.928 1.00 0.00 H new ATOM 0 HA VAL A 21 2.636 -7.595 9.299 1.00 0.00 H new ATOM 0 HB VAL A 21 2.586 -6.353 6.518 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.834 -4.489 7.530 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.209 -4.658 8.237 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.634 -5.232 9.135 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.041 -6.470 6.685 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.890 -7.296 8.254 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.295 -8.084 6.773 1.00 0.00 H new ATOM 280 N TYR A 22 0.710 -6.032 9.732 1.00 0.00 N ATOM 281 CA TYR A 22 -0.511 -5.318 10.087 1.00 0.00 C ATOM 282 C TYR A 22 -0.290 -3.809 10.047 1.00 0.00 C ATOM 283 O TYR A 22 0.742 -3.309 10.493 1.00 0.00 O ATOM 284 CB TYR A 22 -0.986 -5.739 11.479 1.00 0.00 C ATOM 285 CG TYR A 22 -1.694 -7.074 11.499 1.00 0.00 C ATOM 286 CD1 TYR A 22 -1.113 -8.200 10.929 1.00 0.00 C ATOM 287 CD2 TYR A 22 -2.945 -7.211 12.090 1.00 0.00 C ATOM 288 CE1 TYR A 22 -1.757 -9.422 10.945 1.00 0.00 C ATOM 289 CE2 TYR A 22 -3.596 -8.429 12.111 1.00 0.00 C ATOM 290 CZ TYR A 22 -2.998 -9.531 11.537 1.00 0.00 C ATOM 291 OH TYR A 22 -3.642 -10.747 11.556 1.00 0.00 O ATOM 0 H TYR A 22 1.452 -5.972 10.429 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.278 -5.574 9.356 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.127 -5.783 12.149 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.658 -4.975 11.871 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.141 -8.118 10.465 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.416 -6.350 12.541 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.291 -10.287 10.496 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -4.568 -8.518 12.574 1.00 0.00 H new ATOM 0 HH TYR A 22 -4.505 -10.653 12.011 1.00 0.00 H new ATOM 301 N VAL A 23 -1.270 -3.089 9.510 1.00 0.00 N ATOM 302 CA VAL A 23 -1.185 -1.636 9.412 1.00 0.00 C ATOM 303 C VAL A 23 -2.542 -0.989 9.667 1.00 0.00 C ATOM 304 O VAL A 23 -3.519 -1.281 8.979 1.00 0.00 O ATOM 305 CB VAL A 23 -0.670 -1.196 8.029 1.00 0.00 C ATOM 306 CG1 VAL A 23 -0.528 0.317 7.969 1.00 0.00 C ATOM 307 CG2 VAL A 23 0.653 -1.877 7.712 1.00 0.00 C ATOM 0 H VAL A 23 -2.131 -3.488 9.136 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.479 -1.307 10.175 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.398 -1.499 7.276 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.163 0.609 6.984 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.498 0.781 8.149 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.179 0.647 8.731 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.002 -1.555 6.731 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.391 -1.607 8.467 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.515 -2.958 7.710 1.00 0.00 H new ATOM 317 N ALA A 24 -2.593 -0.107 10.660 1.00 0.00 N ATOM 318 CA ALA A 24 -3.830 0.584 11.004 1.00 0.00 C ATOM 319 C ALA A 24 -3.828 2.012 10.467 1.00 0.00 C ATOM 320 O ALA A 24 -2.928 2.796 10.765 1.00 0.00 O ATOM 321 CB ALA A 24 -4.031 0.586 12.512 1.00 0.00 C ATOM 0 H ALA A 24 -1.793 0.146 11.240 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.658 0.049 10.539 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.958 1.105 12.755 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.085 -0.441 12.873 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.194 1.095 12.990 1.00 0.00 H new ATOM 327 N ALA A 25 -4.841 2.341 9.672 1.00 0.00 N ATOM 328 CA ALA A 25 -4.957 3.674 9.095 1.00 0.00 C ATOM 329 C ALA A 25 -6.297 4.311 9.448 1.00 0.00 C ATOM 330 O ALA A 25 -7.149 3.681 10.073 1.00 0.00 O ATOM 331 CB ALA A 25 -4.782 3.612 7.585 1.00 0.00 C ATOM 0 H ALA A 25 -5.593 1.702 9.413 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.167 4.295 9.517 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.871 4.615 7.167 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.798 3.207 7.349 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.551 2.970 7.156 1.00 0.00 H new ATOM 337 N VAL A 26 -6.476 5.565 9.043 1.00 0.00 N ATOM 338 CA VAL A 26 -7.712 6.287 9.317 1.00 0.00 C ATOM 339 C VAL A 26 -8.248 6.956 8.056 1.00 0.00 C ATOM 340 O VAL A 26 -7.529 7.111 7.069 1.00 0.00 O ATOM 341 CB VAL A 26 -7.508 7.357 10.406 1.00 0.00 C ATOM 342 CG1 VAL A 26 -8.806 7.606 11.160 1.00 0.00 C ATOM 343 CG2 VAL A 26 -6.399 6.941 11.359 1.00 0.00 C ATOM 0 H VAL A 26 -5.780 6.101 8.524 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.436 5.553 9.671 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.211 8.289 9.925 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.642 8.365 11.925 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.571 7.951 10.464 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.136 6.680 11.632 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.268 7.708 12.122 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.664 5.997 11.835 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.469 6.819 10.804 1.00 0.00 H new ATOM 353 N ARG A 27 -9.516 7.352 8.096 1.00 0.00 N ATOM 354 CA ARG A 27 -10.150 8.005 6.957 1.00 0.00 C ATOM 355 C ARG A 27 -9.297 9.165 6.452 1.00 0.00 C ATOM 356 O ARG A 27 -9.040 10.124 7.181 1.00 0.00 O ATOM 357 CB ARG A 27 -11.542 8.509 7.340 1.00 0.00 C ATOM 358 CG ARG A 27 -12.437 8.793 6.145 1.00 0.00 C ATOM 359 CD ARG A 27 -13.906 8.604 6.491 1.00 0.00 C ATOM 360 NE ARG A 27 -14.429 9.716 7.280 1.00 0.00 N ATOM 361 CZ ARG A 27 -14.889 10.843 6.747 1.00 0.00 C ATOM 362 NH1 ARG A 27 -14.891 11.005 5.431 1.00 0.00 N ATOM 363 NH2 ARG A 27 -15.350 11.809 7.531 1.00 0.00 N ATOM 0 H ARG A 27 -10.125 7.232 8.905 1.00 0.00 H new ATOM 0 HA ARG A 27 -10.246 7.272 6.156 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -12.025 7.768 7.977 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -11.440 9.419 7.931 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -12.272 9.814 5.800 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -12.168 8.131 5.322 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -14.485 8.507 5.573 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -14.031 7.675 7.047 1.00 0.00 H new ATOM 0 HE ARG A 27 -14.442 9.623 8.296 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -14.539 10.264 4.825 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -15.245 11.871 5.024 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -15.351 11.687 8.544 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -15.703 12.674 7.121 1.00 0.00 H new ATOM 377 N LEU A 28 -8.861 9.071 5.201 1.00 0.00 N ATOM 378 CA LEU A 28 -8.036 10.113 4.598 1.00 0.00 C ATOM 379 C LEU A 28 -6.683 10.209 5.296 1.00 0.00 C ATOM 380 O LEU A 28 -6.153 11.301 5.494 1.00 0.00 O ATOM 381 CB LEU A 28 -8.754 11.462 4.666 1.00 0.00 C ATOM 382 CG LEU A 28 -10.234 11.455 4.282 1.00 0.00 C ATOM 383 CD1 LEU A 28 -10.908 12.744 4.727 1.00 0.00 C ATOM 384 CD2 LEU A 28 -10.395 11.258 2.781 1.00 0.00 C ATOM 0 H LEU A 28 -9.065 8.285 4.584 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.867 9.850 3.554 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.665 11.848 5.682 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.233 12.162 4.012 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.717 10.622 4.792 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.961 12.720 4.445 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.824 12.843 5.809 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.423 13.593 4.246 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.455 11.256 2.526 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.896 12.070 2.252 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.949 10.307 2.489 1.00 0.00 H new ATOM 396 N GLU A 29 -6.130 9.057 5.662 1.00 0.00 N ATOM 397 CA GLU A 29 -4.837 9.012 6.336 1.00 0.00 C ATOM 398 C GLU A 29 -3.724 8.656 5.355 1.00 0.00 C ATOM 399 O GLU A 29 -3.977 8.085 4.294 1.00 0.00 O ATOM 400 CB GLU A 29 -4.869 7.996 7.480 1.00 0.00 C ATOM 401 CG GLU A 29 -3.549 7.874 8.223 1.00 0.00 C ATOM 402 CD GLU A 29 -3.176 9.145 8.960 1.00 0.00 C ATOM 403 OE1 GLU A 29 -2.554 10.032 8.337 1.00 0.00 O ATOM 404 OE2 GLU A 29 -3.504 9.254 10.160 1.00 0.00 O ATOM 0 H GLU A 29 -6.556 8.144 5.504 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.634 10.002 6.744 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.649 8.281 8.186 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.143 7.020 7.080 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.611 7.051 8.935 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.759 7.624 7.515 1.00 0.00 H new ATOM 411 N ARG A 30 -2.492 8.998 5.717 1.00 0.00 N ATOM 412 CA ARG A 30 -1.341 8.717 4.869 1.00 0.00 C ATOM 413 C ARG A 30 -0.549 7.527 5.404 1.00 0.00 C ATOM 414 O ARG A 30 -0.040 7.560 6.525 1.00 0.00 O ATOM 415 CB ARG A 30 -0.435 9.947 4.778 1.00 0.00 C ATOM 416 CG ARG A 30 1.013 9.614 4.456 1.00 0.00 C ATOM 417 CD ARG A 30 1.859 9.530 5.717 1.00 0.00 C ATOM 418 NE ARG A 30 2.588 10.770 5.970 1.00 0.00 N ATOM 419 CZ ARG A 30 2.162 11.717 6.798 1.00 0.00 C ATOM 420 NH1 ARG A 30 1.017 11.567 7.450 1.00 0.00 N ATOM 421 NH2 ARG A 30 2.882 12.817 6.976 1.00 0.00 N ATOM 0 H ARG A 30 -2.266 9.470 6.592 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.707 8.469 3.873 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.824 10.618 4.012 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.473 10.487 5.724 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.059 8.665 3.922 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.423 10.374 3.791 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.218 9.306 6.570 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.566 8.706 5.625 1.00 0.00 H new ATOM 0 HE ARG A 30 3.473 10.917 5.484 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.461 10.723 7.316 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.693 12.296 8.085 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.763 12.936 6.477 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.554 13.544 7.612 1.00 0.00 H new ATOM 435 N VAL A 31 -0.449 6.477 4.595 1.00 0.00 N ATOM 436 CA VAL A 31 0.281 5.277 4.987 1.00 0.00 C ATOM 437 C VAL A 31 1.501 5.062 4.098 1.00 0.00 C ATOM 438 O VAL A 31 1.628 5.677 3.039 1.00 0.00 O ATOM 439 CB VAL A 31 -0.617 4.028 4.920 1.00 0.00 C ATOM 440 CG1 VAL A 31 -1.824 4.188 5.831 1.00 0.00 C ATOM 441 CG2 VAL A 31 -1.052 3.761 3.486 1.00 0.00 C ATOM 0 H VAL A 31 -0.864 6.433 3.664 1.00 0.00 H new ATOM 0 HA VAL A 31 0.607 5.426 6.016 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.042 3.170 5.267 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.447 3.295 5.770 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.488 4.327 6.859 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.403 5.057 5.518 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.686 2.875 3.457 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.610 4.618 3.109 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.172 3.598 2.863 1.00 0.00 H new ATOM 451 N VAL A 32 2.397 4.183 4.536 1.00 0.00 N ATOM 452 CA VAL A 32 3.607 3.884 3.779 1.00 0.00 C ATOM 453 C VAL A 32 3.987 2.414 3.908 1.00 0.00 C ATOM 454 O VAL A 32 4.484 1.978 4.948 1.00 0.00 O ATOM 455 CB VAL A 32 4.791 4.752 4.248 1.00 0.00 C ATOM 456 CG1 VAL A 32 6.066 4.352 3.523 1.00 0.00 C ATOM 457 CG2 VAL A 32 4.487 6.227 4.036 1.00 0.00 C ATOM 0 H VAL A 32 2.308 3.666 5.411 1.00 0.00 H new ATOM 0 HA VAL A 32 3.391 4.110 2.735 1.00 0.00 H new ATOM 0 HB VAL A 32 4.941 4.586 5.315 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.891 4.976 3.867 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.290 3.306 3.732 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.932 4.487 2.450 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.334 6.825 4.373 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.309 6.413 2.977 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.600 6.501 4.606 1.00 0.00 H new ATOM 467 N LEU A 33 3.749 1.652 2.846 1.00 0.00 N ATOM 468 CA LEU A 33 4.067 0.228 2.840 1.00 0.00 C ATOM 469 C LEU A 33 5.540 0.000 2.517 1.00 0.00 C ATOM 470 O LEU A 33 6.114 0.682 1.667 1.00 0.00 O ATOM 471 CB LEU A 33 3.191 -0.505 1.822 1.00 0.00 C ATOM 472 CG LEU A 33 1.866 -1.057 2.351 1.00 0.00 C ATOM 473 CD1 LEU A 33 1.176 -0.030 3.236 1.00 0.00 C ATOM 474 CD2 LEU A 33 0.961 -1.465 1.198 1.00 0.00 C ATOM 0 H LEU A 33 3.337 1.996 1.979 1.00 0.00 H new ATOM 0 HA LEU A 33 3.867 -0.168 3.836 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.975 0.178 1.000 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.766 -1.332 1.406 1.00 0.00 H new ATOM 0 HG LEU A 33 2.076 -1.942 2.952 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.235 -0.440 3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.820 0.214 4.081 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.978 0.873 2.659 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.023 -1.855 1.592 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.758 -0.597 0.570 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.453 -2.235 0.604 1.00 0.00 H new ATOM 486 N THR A 34 6.148 -0.965 3.200 1.00 0.00 N ATOM 487 CA THR A 34 7.554 -1.284 2.986 1.00 0.00 C ATOM 488 C THR A 34 7.717 -2.676 2.387 1.00 0.00 C ATOM 489 O THR A 34 7.419 -3.680 3.035 1.00 0.00 O ATOM 490 CB THR A 34 8.354 -1.207 4.300 1.00 0.00 C ATOM 491 OG1 THR A 34 8.056 0.016 4.984 1.00 0.00 O ATOM 492 CG2 THR A 34 9.848 -1.291 4.030 1.00 0.00 C ATOM 0 H THR A 34 5.688 -1.539 3.906 1.00 0.00 H new ATOM 0 HA THR A 34 7.943 -0.543 2.288 1.00 0.00 H new ATOM 0 HB THR A 34 8.066 -2.052 4.925 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.567 0.057 5.819 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.392 -1.234 4.973 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.076 -2.235 3.536 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.149 -0.463 3.388 1.00 0.00 H new ATOM 500 N CYS A 35 8.191 -2.729 1.147 1.00 0.00 N ATOM 501 CA CYS A 35 8.393 -4.000 0.460 1.00 0.00 C ATOM 502 C CYS A 35 9.715 -4.002 -0.301 1.00 0.00 C ATOM 503 O CYS A 35 9.849 -3.346 -1.333 1.00 0.00 O ATOM 504 CB CYS A 35 7.236 -4.272 -0.503 1.00 0.00 C ATOM 505 SG CYS A 35 6.877 -6.028 -0.746 1.00 0.00 S ATOM 0 H CYS A 35 8.442 -1.907 0.597 1.00 0.00 H new ATOM 0 HA CYS A 35 8.425 -4.790 1.210 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.340 -3.777 -0.127 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.467 -3.822 -1.469 1.00 0.00 H new ATOM 0 HG CYS A 35 7.691 -6.741 -0.026 1.00 0.00 H new ATOM 511 N GLU A 36 10.689 -4.743 0.218 1.00 0.00 N ATOM 512 CA GLU A 36 12.002 -4.828 -0.412 1.00 0.00 C ATOM 513 C GLU A 36 12.098 -6.061 -1.306 1.00 0.00 C ATOM 514 O GLU A 36 11.358 -7.029 -1.128 1.00 0.00 O ATOM 515 CB GLU A 36 13.101 -4.869 0.652 1.00 0.00 C ATOM 516 CG GLU A 36 14.504 -4.741 0.083 1.00 0.00 C ATOM 517 CD GLU A 36 15.467 -4.079 1.049 1.00 0.00 C ATOM 518 OE1 GLU A 36 15.758 -4.683 2.103 1.00 0.00 O ATOM 519 OE2 GLU A 36 15.930 -2.958 0.752 1.00 0.00 O ATOM 0 H GLU A 36 10.594 -5.293 1.072 1.00 0.00 H new ATOM 0 HA GLU A 36 12.138 -3.941 -1.031 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.933 -4.064 1.367 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.026 -5.806 1.204 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.879 -5.731 -0.176 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.466 -4.163 -0.840 1.00 0.00 H new ATOM 526 N LEU A 37 13.014 -6.017 -2.267 1.00 0.00 N ATOM 527 CA LEU A 37 13.208 -7.130 -3.190 1.00 0.00 C ATOM 528 C LEU A 37 14.678 -7.532 -3.258 1.00 0.00 C ATOM 529 O LEU A 37 15.564 -6.731 -2.959 1.00 0.00 O ATOM 530 CB LEU A 37 12.705 -6.755 -4.585 1.00 0.00 C ATOM 531 CG LEU A 37 11.266 -6.244 -4.665 1.00 0.00 C ATOM 532 CD1 LEU A 37 10.921 -5.839 -6.089 1.00 0.00 C ATOM 533 CD2 LEU A 37 10.296 -7.302 -4.160 1.00 0.00 C ATOM 0 H LEU A 37 13.634 -5.223 -2.427 1.00 0.00 H new ATOM 0 HA LEU A 37 12.635 -7.980 -2.820 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.364 -5.989 -4.993 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.795 -7.630 -5.229 1.00 0.00 H new ATOM 0 HG LEU A 37 11.178 -5.364 -4.028 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.893 -5.478 -6.126 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.595 -5.047 -6.416 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.027 -6.701 -6.748 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.277 -6.921 -4.224 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.387 -8.200 -4.771 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.529 -7.543 -3.123 1.00 0.00 H new ATOM 545 N CYS A 38 14.928 -8.774 -3.654 1.00 0.00 N ATOM 546 CA CYS A 38 16.291 -9.282 -3.763 1.00 0.00 C ATOM 547 C CYS A 38 16.899 -8.922 -5.115 1.00 0.00 C ATOM 548 O CYS A 38 17.966 -9.416 -5.478 1.00 0.00 O ATOM 549 CB CYS A 38 16.310 -10.799 -3.570 1.00 0.00 C ATOM 550 SG CYS A 38 15.281 -11.706 -4.750 1.00 0.00 S ATOM 0 H CYS A 38 14.205 -9.448 -3.905 1.00 0.00 H new ATOM 0 HA CYS A 38 16.889 -8.816 -2.980 1.00 0.00 H new ATOM 0 HB2 CYS A 38 17.338 -11.152 -3.654 1.00 0.00 H new ATOM 0 HB3 CYS A 38 15.975 -11.030 -2.559 1.00 0.00 H new ATOM 0 HG CYS A 38 14.027 -11.526 -4.460 1.00 0.00 H new ATOM 556 N ARG A 39 16.212 -8.058 -5.855 1.00 0.00 N ATOM 557 CA ARG A 39 16.683 -7.634 -7.168 1.00 0.00 C ATOM 558 C ARG A 39 16.261 -6.197 -7.459 1.00 0.00 C ATOM 559 O ARG A 39 15.126 -5.794 -7.205 1.00 0.00 O ATOM 560 CB ARG A 39 16.141 -8.565 -8.254 1.00 0.00 C ATOM 561 CG ARG A 39 17.024 -9.775 -8.516 1.00 0.00 C ATOM 562 CD ARG A 39 18.325 -9.377 -9.194 1.00 0.00 C ATOM 563 NE ARG A 39 19.372 -9.061 -8.227 1.00 0.00 N ATOM 564 CZ ARG A 39 20.147 -9.976 -7.657 1.00 0.00 C ATOM 565 NH1 ARG A 39 19.994 -11.259 -7.956 1.00 0.00 N ATOM 566 NH2 ARG A 39 21.079 -9.610 -6.785 1.00 0.00 N ATOM 0 H ARG A 39 15.328 -7.638 -5.568 1.00 0.00 H new ATOM 0 HA ARG A 39 17.772 -7.682 -7.168 1.00 0.00 H new ATOM 0 HB2 ARG A 39 15.147 -8.907 -7.965 1.00 0.00 H new ATOM 0 HB3 ARG A 39 16.027 -8.002 -9.180 1.00 0.00 H new ATOM 0 HG2 ARG A 39 17.242 -10.279 -7.574 1.00 0.00 H new ATOM 0 HG3 ARG A 39 16.489 -10.489 -9.143 1.00 0.00 H new ATOM 0 HD2 ARG A 39 18.661 -10.189 -9.839 1.00 0.00 H new ATOM 0 HD3 ARG A 39 18.150 -8.512 -9.834 1.00 0.00 H new ATOM 0 HE ARG A 39 19.516 -8.083 -7.975 1.00 0.00 H new ATOM 0 HH11 ARG A 39 19.280 -11.545 -8.625 1.00 0.00 H new ATOM 0 HH12 ARG A 39 20.591 -11.960 -7.517 1.00 0.00 H new ATOM 0 HH21 ARG A 39 21.201 -8.624 -6.552 1.00 0.00 H new ATOM 0 HH22 ARG A 39 21.673 -10.314 -6.348 1.00 0.00 H new ATOM 580 N PRO A 40 17.196 -5.404 -8.003 1.00 0.00 N ATOM 581 CA PRO A 40 16.945 -3.999 -8.340 1.00 0.00 C ATOM 582 C PRO A 40 15.990 -3.848 -9.519 1.00 0.00 C ATOM 583 O PRO A 40 15.047 -3.058 -9.469 1.00 0.00 O ATOM 584 CB PRO A 40 18.333 -3.468 -8.705 1.00 0.00 C ATOM 585 CG PRO A 40 19.093 -4.669 -9.151 1.00 0.00 C ATOM 586 CD PRO A 40 18.570 -5.817 -8.332 1.00 0.00 C ATOM 0 HA PRO A 40 16.471 -3.461 -7.519 1.00 0.00 H new ATOM 0 HB2 PRO A 40 18.275 -2.720 -9.496 1.00 0.00 H new ATOM 0 HB3 PRO A 40 18.812 -2.991 -7.850 1.00 0.00 H new ATOM 0 HG2 PRO A 40 18.946 -4.850 -10.216 1.00 0.00 H new ATOM 0 HG3 PRO A 40 20.163 -4.534 -8.995 1.00 0.00 H new ATOM 0 HD2 PRO A 40 18.585 -6.751 -8.894 1.00 0.00 H new ATOM 0 HD3 PRO A 40 19.168 -5.975 -7.434 1.00 0.00 H new ATOM 594 N TRP A 41 16.240 -4.610 -10.578 1.00 0.00 N ATOM 595 CA TRP A 41 15.401 -4.560 -11.770 1.00 0.00 C ATOM 596 C TRP A 41 14.208 -5.500 -11.636 1.00 0.00 C ATOM 597 O TRP A 41 13.721 -6.045 -12.626 1.00 0.00 O ATOM 598 CB TRP A 41 16.218 -4.927 -13.010 1.00 0.00 C ATOM 599 CG TRP A 41 17.326 -5.896 -12.725 1.00 0.00 C ATOM 600 CD1 TRP A 41 18.653 -5.605 -12.585 1.00 0.00 C ATOM 601 CD2 TRP A 41 17.202 -7.311 -12.549 1.00 0.00 C ATOM 602 NE1 TRP A 41 19.361 -6.755 -12.332 1.00 0.00 N ATOM 603 CE2 TRP A 41 18.494 -7.815 -12.304 1.00 0.00 C ATOM 604 CE3 TRP A 41 16.125 -8.202 -12.572 1.00 0.00 C ATOM 605 CZ2 TRP A 41 18.736 -9.169 -12.085 1.00 0.00 C ATOM 606 CZ3 TRP A 41 16.367 -9.545 -12.355 1.00 0.00 C ATOM 607 CH2 TRP A 41 17.663 -10.018 -12.113 1.00 0.00 C ATOM 0 H TRP A 41 17.016 -5.269 -10.636 1.00 0.00 H new ATOM 0 HA TRP A 41 15.027 -3.542 -11.878 1.00 0.00 H new ATOM 0 HB2 TRP A 41 15.554 -5.356 -13.760 1.00 0.00 H new ATOM 0 HB3 TRP A 41 16.641 -4.019 -13.440 1.00 0.00 H new ATOM 0 HD1 TRP A 41 19.082 -4.617 -12.662 1.00 0.00 H new ATOM 0 HE1 TRP A 41 20.369 -6.810 -12.188 1.00 0.00 H new ATOM 0 HE3 TRP A 41 15.122 -7.847 -12.756 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 19.735 -9.536 -11.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 15.542 -10.242 -12.372 1.00 0.00 H new ATOM 0 HH2 TRP A 41 17.819 -11.073 -11.945 1.00 0.00 H new ATOM 618 N ALA A 42 13.741 -5.685 -10.405 1.00 0.00 N ATOM 619 CA ALA A 42 12.603 -6.558 -10.143 1.00 0.00 C ATOM 620 C ALA A 42 11.313 -5.755 -10.021 1.00 0.00 C ATOM 621 O ALA A 42 11.169 -4.929 -9.120 1.00 0.00 O ATOM 622 CB ALA A 42 12.843 -7.372 -8.880 1.00 0.00 C ATOM 0 H ALA A 42 14.133 -5.242 -9.574 1.00 0.00 H new ATOM 0 HA ALA A 42 12.497 -7.240 -10.987 1.00 0.00 H new ATOM 0 HB1 ALA A 42 11.986 -8.019 -8.696 1.00 0.00 H new ATOM 0 HB2 ALA A 42 13.738 -7.982 -9.005 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.978 -6.699 -8.033 1.00 0.00 H new ATOM 628 N GLU A 43 10.378 -6.003 -10.932 1.00 0.00 N ATOM 629 CA GLU A 43 9.100 -5.301 -10.926 1.00 0.00 C ATOM 630 C GLU A 43 8.087 -6.024 -10.043 1.00 0.00 C ATOM 631 O GLU A 43 8.115 -7.248 -9.919 1.00 0.00 O ATOM 632 CB GLU A 43 8.554 -5.177 -12.350 1.00 0.00 C ATOM 633 CG GLU A 43 9.002 -3.914 -13.065 1.00 0.00 C ATOM 634 CD GLU A 43 8.372 -2.661 -12.488 1.00 0.00 C ATOM 635 OE1 GLU A 43 8.646 -2.350 -11.309 1.00 0.00 O ATOM 636 OE2 GLU A 43 7.605 -1.993 -13.212 1.00 0.00 O ATOM 0 H GLU A 43 10.481 -6.685 -11.684 1.00 0.00 H new ATOM 0 HA GLU A 43 9.265 -4.303 -10.520 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.872 -6.044 -12.929 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.465 -5.198 -12.316 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.087 -3.832 -13.003 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.748 -3.990 -14.122 1.00 0.00 H new ATOM 643 N VAL A 44 7.192 -5.256 -9.428 1.00 0.00 N ATOM 644 CA VAL A 44 6.169 -5.821 -8.557 1.00 0.00 C ATOM 645 C VAL A 44 4.783 -5.309 -8.931 1.00 0.00 C ATOM 646 O VAL A 44 4.649 -4.280 -9.593 1.00 0.00 O ATOM 647 CB VAL A 44 6.446 -5.488 -7.078 1.00 0.00 C ATOM 648 CG1 VAL A 44 7.861 -5.893 -6.695 1.00 0.00 C ATOM 649 CG2 VAL A 44 6.216 -4.008 -6.814 1.00 0.00 C ATOM 0 H VAL A 44 7.155 -4.241 -9.517 1.00 0.00 H new ATOM 0 HA VAL A 44 6.201 -6.902 -8.691 1.00 0.00 H new ATOM 0 HB VAL A 44 5.752 -6.056 -6.459 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.038 -5.650 -5.647 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.986 -6.965 -6.845 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.575 -5.354 -7.318 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.416 -3.790 -5.765 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.885 -3.418 -7.441 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.182 -3.753 -7.047 1.00 0.00 H new ATOM 659 N ARG A 45 3.755 -6.034 -8.503 1.00 0.00 N ATOM 660 CA ARG A 45 2.378 -5.653 -8.794 1.00 0.00 C ATOM 661 C ARG A 45 1.483 -5.878 -7.579 1.00 0.00 C ATOM 662 O ARG A 45 1.376 -6.994 -7.072 1.00 0.00 O ATOM 663 CB ARG A 45 1.847 -6.452 -9.986 1.00 0.00 C ATOM 664 CG ARG A 45 0.341 -6.350 -10.165 1.00 0.00 C ATOM 665 CD ARG A 45 -0.116 -7.037 -11.443 1.00 0.00 C ATOM 666 NE ARG A 45 0.269 -8.445 -11.475 1.00 0.00 N ATOM 667 CZ ARG A 45 0.377 -9.152 -12.594 1.00 0.00 C ATOM 668 NH1 ARG A 45 0.130 -8.584 -13.767 1.00 0.00 N ATOM 669 NH2 ARG A 45 0.733 -10.429 -12.542 1.00 0.00 N ATOM 0 H ARG A 45 3.849 -6.888 -7.954 1.00 0.00 H new ATOM 0 HA ARG A 45 2.366 -4.591 -9.041 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.337 -6.102 -10.895 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.119 -7.500 -9.861 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.160 -6.802 -9.309 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.047 -5.301 -10.189 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.199 -6.955 -11.531 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.313 -6.524 -12.304 1.00 0.00 H new ATOM 0 HE ARG A 45 0.466 -8.911 -10.589 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.143 -7.602 -13.811 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.214 -9.129 -14.625 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.924 -10.869 -11.642 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.816 -10.971 -13.402 1.00 0.00 H new ATOM 683 N TRP A 46 0.844 -4.809 -7.116 1.00 0.00 N ATOM 684 CA TRP A 46 -0.041 -4.889 -5.960 1.00 0.00 C ATOM 685 C TRP A 46 -1.470 -5.204 -6.388 1.00 0.00 C ATOM 686 O TRP A 46 -2.008 -4.577 -7.301 1.00 0.00 O ATOM 687 CB TRP A 46 -0.008 -3.577 -5.175 1.00 0.00 C ATOM 688 CG TRP A 46 1.365 -3.198 -4.708 1.00 0.00 C ATOM 689 CD1 TRP A 46 2.378 -2.689 -5.469 1.00 0.00 C ATOM 690 CD2 TRP A 46 1.875 -3.300 -3.374 1.00 0.00 C ATOM 691 NE1 TRP A 46 3.488 -2.469 -4.689 1.00 0.00 N ATOM 692 CE2 TRP A 46 3.205 -2.835 -3.400 1.00 0.00 C ATOM 693 CE3 TRP A 46 1.338 -3.738 -2.160 1.00 0.00 C ATOM 694 CZ2 TRP A 46 4.002 -2.796 -2.259 1.00 0.00 C ATOM 695 CZ3 TRP A 46 2.131 -3.699 -1.029 1.00 0.00 C ATOM 696 CH2 TRP A 46 3.450 -3.231 -1.084 1.00 0.00 C ATOM 0 H TRP A 46 0.922 -3.877 -7.524 1.00 0.00 H new ATOM 0 HA TRP A 46 0.312 -5.697 -5.319 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.405 -2.778 -5.801 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.667 -3.662 -4.311 1.00 0.00 H new ATOM 0 HD1 TRP A 46 2.316 -2.489 -6.528 1.00 0.00 H new ATOM 0 HE1 TRP A 46 4.378 -2.094 -5.017 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.322 -4.100 -2.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 5.019 -2.436 -2.299 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 1.727 -4.035 -0.086 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.043 -3.213 -0.182 1.00 0.00 H new ATOM 707 N THR A 47 -2.081 -6.180 -5.724 1.00 0.00 N ATOM 708 CA THR A 47 -3.448 -6.578 -6.037 1.00 0.00 C ATOM 709 C THR A 47 -4.348 -6.465 -4.812 1.00 0.00 C ATOM 710 O THR A 47 -4.025 -6.979 -3.741 1.00 0.00 O ATOM 711 CB THR A 47 -3.504 -8.023 -6.569 1.00 0.00 C ATOM 712 OG1 THR A 47 -2.866 -8.911 -5.644 1.00 0.00 O ATOM 713 CG2 THR A 47 -2.827 -8.126 -7.928 1.00 0.00 C ATOM 0 H THR A 47 -1.651 -6.710 -4.966 1.00 0.00 H new ATOM 0 HA THR A 47 -3.806 -5.899 -6.811 1.00 0.00 H new ATOM 0 HB THR A 47 -4.551 -8.306 -6.680 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.894 -8.522 -4.745 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.879 -9.155 -8.283 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.333 -7.471 -8.637 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.783 -7.826 -7.838 1.00 0.00 H new ATOM 721 N LYS A 48 -5.479 -5.788 -4.976 1.00 0.00 N ATOM 722 CA LYS A 48 -6.429 -5.608 -3.885 1.00 0.00 C ATOM 723 C LYS A 48 -7.623 -6.544 -4.042 1.00 0.00 C ATOM 724 O LYS A 48 -8.578 -6.233 -4.755 1.00 0.00 O ATOM 725 CB LYS A 48 -6.909 -4.156 -3.833 1.00 0.00 C ATOM 726 CG LYS A 48 -7.340 -3.706 -2.448 1.00 0.00 C ATOM 727 CD LYS A 48 -7.877 -2.285 -2.465 1.00 0.00 C ATOM 728 CE LYS A 48 -8.827 -2.034 -1.303 1.00 0.00 C ATOM 729 NZ LYS A 48 -10.230 -2.397 -1.646 1.00 0.00 N ATOM 0 H LYS A 48 -5.760 -5.354 -5.855 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.921 -5.850 -2.951 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.109 -3.505 -4.184 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.745 -4.034 -4.522 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.107 -4.381 -2.067 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.493 -3.768 -1.765 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.047 -1.581 -2.416 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.395 -2.102 -3.406 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.503 -2.612 -0.438 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.783 -0.983 -1.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.846 -2.212 -0.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.548 -1.827 -2.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.277 -3.406 -1.893 1.00 0.00 H new ATOM 743 N ASP A 49 -7.564 -7.689 -3.372 1.00 0.00 N ATOM 744 CA ASP A 49 -8.642 -8.669 -3.435 1.00 0.00 C ATOM 745 C ASP A 49 -8.681 -9.346 -4.802 1.00 0.00 C ATOM 746 O ASP A 49 -9.753 -9.615 -5.342 1.00 0.00 O ATOM 747 CB ASP A 49 -9.986 -8.000 -3.145 1.00 0.00 C ATOM 748 CG ASP A 49 -11.076 -9.004 -2.825 1.00 0.00 C ATOM 749 OD1 ASP A 49 -10.816 -9.925 -2.024 1.00 0.00 O ATOM 750 OD2 ASP A 49 -12.188 -8.869 -3.378 1.00 0.00 O ATOM 0 H ASP A 49 -6.781 -7.962 -2.778 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.453 -9.430 -2.678 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.873 -7.312 -2.307 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.286 -7.405 -4.008 1.00 0.00 H new ATOM 755 N GLY A 50 -7.503 -9.617 -5.356 1.00 0.00 N ATOM 756 CA GLY A 50 -7.426 -10.259 -6.656 1.00 0.00 C ATOM 757 C GLY A 50 -7.288 -9.261 -7.788 1.00 0.00 C ATOM 758 O GLY A 50 -6.669 -9.554 -8.810 1.00 0.00 O ATOM 0 H GLY A 50 -6.602 -9.404 -4.929 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.576 -10.941 -6.671 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.321 -10.861 -6.814 1.00 0.00 H new ATOM 762 N GLU A 51 -7.868 -8.078 -7.607 1.00 0.00 N ATOM 763 CA GLU A 51 -7.809 -7.035 -8.623 1.00 0.00 C ATOM 764 C GLU A 51 -6.472 -6.301 -8.573 1.00 0.00 C ATOM 765 O GLU A 51 -5.911 -6.087 -7.499 1.00 0.00 O ATOM 766 CB GLU A 51 -8.956 -6.040 -8.433 1.00 0.00 C ATOM 767 CG GLU A 51 -10.245 -6.458 -9.121 1.00 0.00 C ATOM 768 CD GLU A 51 -10.029 -6.861 -10.567 1.00 0.00 C ATOM 769 OE1 GLU A 51 -9.680 -8.034 -10.812 1.00 0.00 O ATOM 770 OE2 GLU A 51 -10.211 -6.001 -11.455 1.00 0.00 O ATOM 0 H GLU A 51 -8.384 -7.819 -6.766 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.907 -7.510 -9.599 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.146 -5.917 -7.367 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.649 -5.067 -8.816 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.689 -7.292 -8.577 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.958 -5.635 -9.080 1.00 0.00 H new ATOM 777 N GLU A 52 -5.968 -5.920 -9.743 1.00 0.00 N ATOM 778 CA GLU A 52 -4.696 -5.212 -9.832 1.00 0.00 C ATOM 779 C GLU A 52 -4.888 -3.717 -9.592 1.00 0.00 C ATOM 780 O GLU A 52 -5.466 -3.013 -10.421 1.00 0.00 O ATOM 781 CB GLU A 52 -4.054 -5.442 -11.201 1.00 0.00 C ATOM 782 CG GLU A 52 -2.834 -4.573 -11.455 1.00 0.00 C ATOM 783 CD GLU A 52 -2.584 -4.336 -12.932 1.00 0.00 C ATOM 784 OE1 GLU A 52 -2.480 -5.328 -13.683 1.00 0.00 O ATOM 785 OE2 GLU A 52 -2.491 -3.158 -13.336 1.00 0.00 O ATOM 0 H GLU A 52 -6.421 -6.090 -10.641 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.036 -5.605 -9.059 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.767 -6.490 -11.287 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.795 -5.250 -11.977 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -2.965 -3.614 -10.954 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.957 -5.046 -11.013 1.00 0.00 H new ATOM 792 N VAL A 53 -4.399 -3.239 -8.452 1.00 0.00 N ATOM 793 CA VAL A 53 -4.515 -1.828 -8.103 1.00 0.00 C ATOM 794 C VAL A 53 -4.025 -0.938 -9.239 1.00 0.00 C ATOM 795 O VAL A 53 -2.990 -1.207 -9.850 1.00 0.00 O ATOM 796 CB VAL A 53 -3.719 -1.499 -6.826 1.00 0.00 C ATOM 797 CG1 VAL A 53 -4.000 -2.526 -5.741 1.00 0.00 C ATOM 798 CG2 VAL A 53 -2.230 -1.428 -7.131 1.00 0.00 C ATOM 0 H VAL A 53 -3.919 -3.808 -7.755 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.572 -1.632 -7.924 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.040 -0.524 -6.460 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.429 -2.276 -4.847 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.064 -2.523 -5.504 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.709 -3.516 -6.093 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.682 -1.195 -6.218 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.892 -2.388 -7.521 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.047 -0.650 -7.873 1.00 0.00 H new ATOM 808 N VAL A 54 -4.773 0.124 -9.517 1.00 0.00 N ATOM 809 CA VAL A 54 -4.414 1.056 -10.579 1.00 0.00 C ATOM 810 C VAL A 54 -4.111 2.440 -10.017 1.00 0.00 C ATOM 811 O VAL A 54 -4.864 2.967 -9.199 1.00 0.00 O ATOM 812 CB VAL A 54 -5.538 1.174 -11.626 1.00 0.00 C ATOM 813 CG1 VAL A 54 -6.837 1.614 -10.968 1.00 0.00 C ATOM 814 CG2 VAL A 54 -5.137 2.140 -12.731 1.00 0.00 C ATOM 0 H VAL A 54 -5.632 0.361 -9.021 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.520 0.659 -11.059 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.699 0.193 -12.073 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.619 1.692 -11.723 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.130 0.882 -10.216 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.694 2.584 -10.493 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.942 2.211 -13.462 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.947 3.124 -12.303 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.233 1.777 -13.221 1.00 0.00 H new ATOM 824 N GLU A 55 -3.002 3.024 -10.462 1.00 0.00 N ATOM 825 CA GLU A 55 -2.599 4.347 -10.002 1.00 0.00 C ATOM 826 C GLU A 55 -3.799 5.289 -9.935 1.00 0.00 C ATOM 827 O GLU A 55 -4.735 5.176 -10.726 1.00 0.00 O ATOM 828 CB GLU A 55 -1.531 4.931 -10.929 1.00 0.00 C ATOM 829 CG GLU A 55 -0.114 4.534 -10.550 1.00 0.00 C ATOM 830 CD GLU A 55 0.818 4.486 -11.745 1.00 0.00 C ATOM 831 OE1 GLU A 55 1.380 5.543 -12.101 1.00 0.00 O ATOM 832 OE2 GLU A 55 0.985 3.393 -12.325 1.00 0.00 O ATOM 0 H GLU A 55 -2.368 2.601 -11.140 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.183 4.243 -9.000 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.730 4.605 -11.950 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.609 6.018 -10.921 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.275 5.243 -9.819 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.131 3.557 -10.068 1.00 0.00 H new ATOM 839 N SER A 56 -3.763 6.217 -8.984 1.00 0.00 N ATOM 840 CA SER A 56 -4.848 7.175 -8.810 1.00 0.00 C ATOM 841 C SER A 56 -4.466 8.249 -7.796 1.00 0.00 C ATOM 842 O SER A 56 -3.469 8.140 -7.082 1.00 0.00 O ATOM 843 CB SER A 56 -6.121 6.459 -8.356 1.00 0.00 C ATOM 844 OG SER A 56 -5.831 5.158 -7.874 1.00 0.00 O ATOM 0 H SER A 56 -2.994 6.326 -8.322 1.00 0.00 H new ATOM 0 HA SER A 56 -5.033 7.656 -9.771 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.609 7.040 -7.573 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.822 6.394 -9.188 1.00 0.00 H new ATOM 0 HG SER A 56 -6.661 4.722 -7.589 1.00 0.00 H new ATOM 850 N PRO A 57 -5.279 9.314 -7.729 1.00 0.00 N ATOM 851 CA PRO A 57 -5.049 10.430 -6.806 1.00 0.00 C ATOM 852 C PRO A 57 -5.284 10.037 -5.352 1.00 0.00 C ATOM 853 O PRO A 57 -5.174 10.866 -4.450 1.00 0.00 O ATOM 854 CB PRO A 57 -6.075 11.475 -7.251 1.00 0.00 C ATOM 855 CG PRO A 57 -7.160 10.689 -7.901 1.00 0.00 C ATOM 856 CD PRO A 57 -6.486 9.511 -8.550 1.00 0.00 C ATOM 0 HA PRO A 57 -4.018 10.783 -6.841 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.453 12.045 -6.402 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.635 12.191 -7.945 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -7.898 10.362 -7.168 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.690 11.291 -8.639 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.125 8.628 -8.543 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.235 9.715 -9.591 1.00 0.00 H new ATOM 864 N ALA A 58 -5.607 8.767 -5.132 1.00 0.00 N ATOM 865 CA ALA A 58 -5.855 8.264 -3.787 1.00 0.00 C ATOM 866 C ALA A 58 -4.870 7.158 -3.424 1.00 0.00 C ATOM 867 O ALA A 58 -4.761 6.766 -2.261 1.00 0.00 O ATOM 868 CB ALA A 58 -7.285 7.759 -3.667 1.00 0.00 C ATOM 0 H ALA A 58 -5.703 8.068 -5.868 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.712 9.087 -3.087 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -7.456 7.386 -2.657 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -7.978 8.575 -3.875 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.448 6.954 -4.383 1.00 0.00 H new ATOM 874 N LEU A 59 -4.154 6.658 -4.425 1.00 0.00 N ATOM 875 CA LEU A 59 -3.177 5.596 -4.211 1.00 0.00 C ATOM 876 C LEU A 59 -1.880 5.890 -4.959 1.00 0.00 C ATOM 877 O LEU A 59 -1.810 5.749 -6.180 1.00 0.00 O ATOM 878 CB LEU A 59 -3.748 4.252 -4.665 1.00 0.00 C ATOM 879 CG LEU A 59 -2.799 3.056 -4.579 1.00 0.00 C ATOM 880 CD1 LEU A 59 -3.571 1.783 -4.266 1.00 0.00 C ATOM 881 CD2 LEU A 59 -2.017 2.901 -5.875 1.00 0.00 C ATOM 0 H LEU A 59 -4.232 6.971 -5.393 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.957 5.548 -3.145 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.631 4.034 -4.064 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.082 4.352 -5.698 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.091 3.236 -3.770 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.879 0.943 -4.209 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.086 1.895 -3.312 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.302 1.598 -5.053 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.347 2.045 -5.795 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.710 2.744 -6.702 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.433 3.803 -6.058 1.00 0.00 H new ATOM 893 N LEU A 60 -0.856 6.297 -4.218 1.00 0.00 N ATOM 894 CA LEU A 60 0.440 6.609 -4.811 1.00 0.00 C ATOM 895 C LEU A 60 1.398 5.430 -4.676 1.00 0.00 C ATOM 896 O LEU A 60 1.613 4.913 -3.579 1.00 0.00 O ATOM 897 CB LEU A 60 1.042 7.849 -4.146 1.00 0.00 C ATOM 898 CG LEU A 60 0.179 9.110 -4.172 1.00 0.00 C ATOM 899 CD1 LEU A 60 0.817 10.211 -3.339 1.00 0.00 C ATOM 900 CD2 LEU A 60 -0.039 9.579 -5.603 1.00 0.00 C ATOM 0 H LEU A 60 -0.897 6.419 -3.206 1.00 0.00 H new ATOM 0 HA LEU A 60 0.288 6.811 -5.871 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.265 7.607 -3.107 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.992 8.073 -4.632 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.792 8.871 -3.738 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.188 11.101 -3.369 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.919 9.874 -2.307 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.801 10.448 -3.742 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.656 10.478 -5.601 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.924 9.800 -6.064 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.541 8.795 -6.170 1.00 0.00 H new ATOM 912 N LEU A 61 1.973 5.011 -5.798 1.00 0.00 N ATOM 913 CA LEU A 61 2.911 3.893 -5.806 1.00 0.00 C ATOM 914 C LEU A 61 4.353 4.393 -5.812 1.00 0.00 C ATOM 915 O LEU A 61 4.821 4.951 -6.803 1.00 0.00 O ATOM 916 CB LEU A 61 2.663 3.002 -7.024 1.00 0.00 C ATOM 917 CG LEU A 61 1.275 2.369 -7.120 1.00 0.00 C ATOM 918 CD1 LEU A 61 1.184 1.464 -8.339 1.00 0.00 C ATOM 919 CD2 LEU A 61 0.953 1.592 -5.852 1.00 0.00 C ATOM 0 H LEU A 61 1.806 5.428 -6.714 1.00 0.00 H new ATOM 0 HA LEU A 61 2.751 3.310 -4.899 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.833 3.594 -7.923 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.405 2.204 -7.023 1.00 0.00 H new ATOM 0 HG LEU A 61 0.540 3.167 -7.229 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.189 1.022 -8.391 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.369 2.048 -9.240 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.929 0.672 -8.261 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.039 1.149 -5.939 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.692 0.803 -5.711 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.975 2.267 -4.996 1.00 0.00 H new ATOM 931 N GLN A 62 5.050 4.185 -4.700 1.00 0.00 N ATOM 932 CA GLN A 62 6.439 4.613 -4.579 1.00 0.00 C ATOM 933 C GLN A 62 7.391 3.488 -4.970 1.00 0.00 C ATOM 934 O GLN A 62 7.100 2.311 -4.757 1.00 0.00 O ATOM 935 CB GLN A 62 6.731 5.070 -3.148 1.00 0.00 C ATOM 936 CG GLN A 62 5.954 6.309 -2.735 1.00 0.00 C ATOM 937 CD GLN A 62 5.928 7.369 -3.818 1.00 0.00 C ATOM 938 OE1 GLN A 62 6.919 7.586 -4.516 1.00 0.00 O ATOM 939 NE2 GLN A 62 4.789 8.037 -3.966 1.00 0.00 N ATOM 0 H GLN A 62 4.677 3.723 -3.871 1.00 0.00 H new ATOM 0 HA GLN A 62 6.596 5.450 -5.259 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.495 4.258 -2.461 1.00 0.00 H new ATOM 0 HB3 GLN A 62 7.798 5.271 -3.050 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.932 6.025 -2.485 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.399 6.728 -1.832 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.992 7.825 -3.366 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.712 8.762 -4.680 1.00 0.00 H new ATOM 948 N LYS A 63 8.532 3.857 -5.544 1.00 0.00 N ATOM 949 CA LYS A 63 9.529 2.880 -5.965 1.00 0.00 C ATOM 950 C LYS A 63 10.938 3.369 -5.646 1.00 0.00 C ATOM 951 O LYS A 63 11.365 4.417 -6.129 1.00 0.00 O ATOM 952 CB LYS A 63 9.400 2.604 -7.465 1.00 0.00 C ATOM 953 CG LYS A 63 7.982 2.284 -7.905 1.00 0.00 C ATOM 954 CD LYS A 63 7.822 2.418 -9.410 1.00 0.00 C ATOM 955 CE LYS A 63 7.442 3.836 -9.806 1.00 0.00 C ATOM 956 NZ LYS A 63 8.606 4.762 -9.738 1.00 0.00 N ATOM 0 H LYS A 63 8.789 4.827 -5.728 1.00 0.00 H new ATOM 0 HA LYS A 63 9.351 1.956 -5.415 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.755 3.474 -8.018 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.050 1.770 -7.730 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.725 1.270 -7.600 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.284 2.954 -7.403 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.754 2.139 -9.902 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.057 1.724 -9.759 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.038 3.834 -10.818 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.652 4.197 -9.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.466 5.545 -10.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.692 5.142 -8.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.475 4.246 -9.985 1.00 0.00 H new ATOM 970 N GLU A 64 11.655 2.602 -4.831 1.00 0.00 N ATOM 971 CA GLU A 64 13.017 2.958 -4.450 1.00 0.00 C ATOM 972 C GLU A 64 14.035 2.183 -5.281 1.00 0.00 C ATOM 973 O GLU A 64 13.673 1.460 -6.209 1.00 0.00 O ATOM 974 CB GLU A 64 13.242 2.682 -2.961 1.00 0.00 C ATOM 975 CG GLU A 64 14.200 3.658 -2.300 1.00 0.00 C ATOM 976 CD GLU A 64 13.863 3.909 -0.842 1.00 0.00 C ATOM 977 OE1 GLU A 64 13.117 3.096 -0.258 1.00 0.00 O ATOM 978 OE2 GLU A 64 14.346 4.918 -0.287 1.00 0.00 O ATOM 0 H GLU A 64 11.316 1.731 -4.422 1.00 0.00 H new ATOM 0 HA GLU A 64 13.154 4.023 -4.640 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.283 2.720 -2.444 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.628 1.670 -2.842 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.216 3.270 -2.373 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.181 4.604 -2.842 1.00 0.00 H new ATOM 985 N ASP A 65 15.310 2.340 -4.941 1.00 0.00 N ATOM 986 CA ASP A 65 16.382 1.655 -5.654 1.00 0.00 C ATOM 987 C ASP A 65 16.079 0.166 -5.791 1.00 0.00 C ATOM 988 O ASP A 65 15.784 -0.321 -6.883 1.00 0.00 O ATOM 989 CB ASP A 65 17.714 1.853 -4.929 1.00 0.00 C ATOM 990 CG ASP A 65 18.895 1.854 -5.879 1.00 0.00 C ATOM 991 OD1 ASP A 65 19.125 0.820 -6.540 1.00 0.00 O ATOM 992 OD2 ASP A 65 19.591 2.888 -5.960 1.00 0.00 O ATOM 0 H ASP A 65 15.626 2.936 -4.176 1.00 0.00 H new ATOM 0 HA ASP A 65 16.454 2.086 -6.653 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.690 2.796 -4.382 1.00 0.00 H new ATOM 0 HB3 ASP A 65 17.845 1.060 -4.192 1.00 0.00 H new ATOM 997 N THR A 66 16.155 -0.553 -4.676 1.00 0.00 N ATOM 998 CA THR A 66 15.892 -1.986 -4.671 1.00 0.00 C ATOM 999 C THR A 66 14.674 -2.319 -3.816 1.00 0.00 C ATOM 1000 O THR A 66 14.312 -3.485 -3.660 1.00 0.00 O ATOM 1001 CB THR A 66 17.104 -2.779 -4.147 1.00 0.00 C ATOM 1002 OG1 THR A 66 17.651 -2.131 -2.993 1.00 0.00 O ATOM 1003 CG2 THR A 66 18.175 -2.901 -5.221 1.00 0.00 C ATOM 0 H THR A 66 16.397 -0.166 -3.764 1.00 0.00 H new ATOM 0 HA THR A 66 15.698 -2.274 -5.704 1.00 0.00 H new ATOM 0 HB THR A 66 16.767 -3.780 -3.876 1.00 0.00 H new ATOM 0 HG1 THR A 66 18.420 -2.642 -2.665 1.00 0.00 H new ATOM 0 HG21 THR A 66 19.021 -3.465 -4.829 1.00 0.00 H new ATOM 0 HG22 THR A 66 17.764 -3.419 -6.087 1.00 0.00 H new ATOM 0 HG23 THR A 66 18.508 -1.906 -5.518 1.00 0.00 H new ATOM 1011 N VAL A 67 14.044 -1.286 -3.265 1.00 0.00 N ATOM 1012 CA VAL A 67 12.865 -1.469 -2.427 1.00 0.00 C ATOM 1013 C VAL A 67 11.697 -0.628 -2.930 1.00 0.00 C ATOM 1014 O VAL A 67 11.883 0.502 -3.382 1.00 0.00 O ATOM 1015 CB VAL A 67 13.156 -1.099 -0.961 1.00 0.00 C ATOM 1016 CG1 VAL A 67 13.920 0.214 -0.882 1.00 0.00 C ATOM 1017 CG2 VAL A 67 11.862 -1.020 -0.165 1.00 0.00 C ATOM 0 H VAL A 67 14.330 -0.314 -3.384 1.00 0.00 H new ATOM 0 HA VAL A 67 12.599 -2.525 -2.482 1.00 0.00 H new ATOM 0 HB VAL A 67 13.778 -1.880 -0.525 1.00 0.00 H new ATOM 0 HG11 VAL A 67 14.116 0.459 0.162 1.00 0.00 H new ATOM 0 HG12 VAL A 67 14.865 0.118 -1.416 1.00 0.00 H new ATOM 0 HG13 VAL A 67 13.327 1.008 -1.335 1.00 0.00 H new ATOM 0 HG21 VAL A 67 12.086 -0.757 0.869 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.213 -0.260 -0.600 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.358 -1.986 -0.193 1.00 0.00 H new ATOM 1027 N ARG A 68 10.494 -1.186 -2.849 1.00 0.00 N ATOM 1028 CA ARG A 68 9.295 -0.488 -3.296 1.00 0.00 C ATOM 1029 C ARG A 68 8.406 -0.121 -2.112 1.00 0.00 C ATOM 1030 O ARG A 68 8.471 -0.749 -1.056 1.00 0.00 O ATOM 1031 CB ARG A 68 8.514 -1.354 -4.286 1.00 0.00 C ATOM 1032 CG ARG A 68 9.343 -1.825 -5.470 1.00 0.00 C ATOM 1033 CD ARG A 68 9.373 -0.784 -6.578 1.00 0.00 C ATOM 1034 NE ARG A 68 9.854 -1.342 -7.840 1.00 0.00 N ATOM 1035 CZ ARG A 68 11.141 -1.462 -8.147 1.00 0.00 C ATOM 1036 NH1 ARG A 68 12.070 -1.066 -7.288 1.00 0.00 N ATOM 1037 NH2 ARG A 68 11.499 -1.979 -9.315 1.00 0.00 N ATOM 0 H ARG A 68 10.324 -2.121 -2.478 1.00 0.00 H new ATOM 0 HA ARG A 68 9.604 0.431 -3.794 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.119 -2.224 -3.761 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.659 -0.788 -4.655 1.00 0.00 H new ATOM 0 HG2 ARG A 68 10.360 -2.038 -5.142 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.931 -2.757 -5.856 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.372 -0.376 -6.720 1.00 0.00 H new ATOM 0 HD3 ARG A 68 10.015 0.045 -6.280 1.00 0.00 H new ATOM 0 HE ARG A 68 9.164 -1.656 -8.522 1.00 0.00 H new ATOM 0 HH11 ARG A 68 11.797 -0.668 -6.389 1.00 0.00 H new ATOM 0 HH12 ARG A 68 13.057 -1.159 -7.526 1.00 0.00 H new ATOM 0 HH21 ARG A 68 10.786 -2.284 -9.978 1.00 0.00 H new ATOM 0 HH22 ARG A 68 12.487 -2.071 -9.551 1.00 0.00 H new ATOM 1051 N ARG A 69 7.575 0.900 -2.297 1.00 0.00 N ATOM 1052 CA ARG A 69 6.674 1.352 -1.243 1.00 0.00 C ATOM 1053 C ARG A 69 5.373 1.887 -1.834 1.00 0.00 C ATOM 1054 O ARG A 69 5.359 2.436 -2.937 1.00 0.00 O ATOM 1055 CB ARG A 69 7.346 2.434 -0.397 1.00 0.00 C ATOM 1056 CG ARG A 69 8.490 1.916 0.458 1.00 0.00 C ATOM 1057 CD ARG A 69 8.901 2.930 1.514 1.00 0.00 C ATOM 1058 NE ARG A 69 9.829 3.926 0.985 1.00 0.00 N ATOM 1059 CZ ARG A 69 10.655 4.638 1.743 1.00 0.00 C ATOM 1060 NH1 ARG A 69 10.668 4.465 3.058 1.00 0.00 N ATOM 1061 NH2 ARG A 69 11.470 5.525 1.188 1.00 0.00 N ATOM 0 H ARG A 69 7.507 1.429 -3.166 1.00 0.00 H new ATOM 0 HA ARG A 69 6.440 0.498 -0.607 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.722 3.217 -1.056 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.599 2.893 0.250 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.192 0.986 0.942 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.345 1.685 -0.178 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.013 3.431 1.900 1.00 0.00 H new ATOM 0 HD3 ARG A 69 9.365 2.412 2.353 1.00 0.00 H new ATOM 0 HE ARG A 69 9.844 4.084 -0.023 1.00 0.00 H new ATOM 0 HH11 ARG A 69 10.043 3.784 3.489 1.00 0.00 H new ATOM 0 HH12 ARG A 69 11.303 5.013 3.638 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.463 5.661 0.177 1.00 0.00 H new ATOM 0 HH22 ARG A 69 12.104 6.071 1.772 1.00 0.00 H new ATOM 1075 N LEU A 70 4.282 1.724 -1.094 1.00 0.00 N ATOM 1076 CA LEU A 70 2.975 2.191 -1.544 1.00 0.00 C ATOM 1077 C LEU A 70 2.380 3.184 -0.550 1.00 0.00 C ATOM 1078 O LEU A 70 1.969 2.808 0.548 1.00 0.00 O ATOM 1079 CB LEU A 70 2.025 1.007 -1.730 1.00 0.00 C ATOM 1080 CG LEU A 70 0.534 1.313 -1.588 1.00 0.00 C ATOM 1081 CD1 LEU A 70 0.107 2.364 -2.601 1.00 0.00 C ATOM 1082 CD2 LEU A 70 -0.289 0.044 -1.754 1.00 0.00 C ATOM 0 H LEU A 70 4.276 1.272 -0.180 1.00 0.00 H new ATOM 0 HA LEU A 70 3.107 2.697 -2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.195 0.582 -2.719 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.288 0.238 -1.003 1.00 0.00 H new ATOM 0 HG LEU A 70 0.357 1.708 -0.588 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.957 2.569 -2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.674 3.280 -2.435 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.298 1.996 -3.609 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.348 0.281 -1.650 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.108 -0.381 -2.741 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.002 -0.678 -0.990 1.00 0.00 H new ATOM 1094 N VAL A 71 2.334 4.452 -0.944 1.00 0.00 N ATOM 1095 CA VAL A 71 1.785 5.499 -0.090 1.00 0.00 C ATOM 1096 C VAL A 71 0.394 5.914 -0.555 1.00 0.00 C ATOM 1097 O VAL A 71 0.147 6.069 -1.752 1.00 0.00 O ATOM 1098 CB VAL A 71 2.698 6.739 -0.066 1.00 0.00 C ATOM 1099 CG1 VAL A 71 2.074 7.845 0.773 1.00 0.00 C ATOM 1100 CG2 VAL A 71 4.078 6.374 0.460 1.00 0.00 C ATOM 0 H VAL A 71 2.670 4.780 -1.849 1.00 0.00 H new ATOM 0 HA VAL A 71 1.720 5.086 0.916 1.00 0.00 H new ATOM 0 HB VAL A 71 2.809 7.107 -1.086 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.733 8.713 0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.110 8.124 0.348 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.932 7.491 1.794 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.710 7.262 0.470 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.989 5.980 1.473 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.525 5.618 -0.185 1.00 0.00 H new ATOM 1110 N LEU A 72 -0.513 6.094 0.399 1.00 0.00 N ATOM 1111 CA LEU A 72 -1.881 6.493 0.088 1.00 0.00 C ATOM 1112 C LEU A 72 -2.213 7.840 0.722 1.00 0.00 C ATOM 1113 O LEU A 72 -2.481 7.942 1.920 1.00 0.00 O ATOM 1114 CB LEU A 72 -2.867 5.430 0.577 1.00 0.00 C ATOM 1115 CG LEU A 72 -2.851 4.102 -0.180 1.00 0.00 C ATOM 1116 CD1 LEU A 72 -1.606 3.302 0.170 1.00 0.00 C ATOM 1117 CD2 LEU A 72 -4.107 3.299 0.126 1.00 0.00 C ATOM 0 H LEU A 72 -0.326 5.970 1.394 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.968 6.590 -0.994 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.662 5.229 1.628 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.874 5.844 0.523 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.831 4.315 -1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.613 2.360 -0.379 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.718 3.873 -0.101 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.594 3.098 1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.079 2.357 -0.421 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.157 3.096 1.196 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.986 3.868 -0.177 1.00 0.00 H new ATOM 1129 N PRO A 73 -2.198 8.901 -0.099 1.00 0.00 N ATOM 1130 CA PRO A 73 -2.497 10.261 0.359 1.00 0.00 C ATOM 1131 C PRO A 73 -3.968 10.440 0.722 1.00 0.00 C ATOM 1132 O PRO A 73 -4.359 11.464 1.280 1.00 0.00 O ATOM 1133 CB PRO A 73 -2.135 11.130 -0.848 1.00 0.00 C ATOM 1134 CG PRO A 73 -2.275 10.223 -2.022 1.00 0.00 C ATOM 1135 CD PRO A 73 -1.887 8.854 -1.537 1.00 0.00 C ATOM 0 HA PRO A 73 -1.947 10.516 1.265 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.800 11.990 -0.930 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.120 11.518 -0.766 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.298 10.228 -2.399 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.632 10.543 -2.841 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.452 8.073 -2.045 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.831 8.650 -1.713 1.00 0.00 H new ATOM 1143 N ALA A 74 -4.778 9.436 0.401 1.00 0.00 N ATOM 1144 CA ALA A 74 -6.205 9.482 0.695 1.00 0.00 C ATOM 1145 C ALA A 74 -6.823 8.089 0.633 1.00 0.00 C ATOM 1146 O ALA A 74 -7.030 7.539 -0.448 1.00 0.00 O ATOM 1147 CB ALA A 74 -6.913 10.420 -0.271 1.00 0.00 C ATOM 0 H ALA A 74 -4.470 8.581 -0.063 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.330 9.861 1.709 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.978 10.445 -0.040 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.498 11.423 -0.174 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.772 10.065 -1.292 1.00 0.00 H new ATOM 1153 N VAL A 75 -7.116 7.525 1.800 1.00 0.00 N ATOM 1154 CA VAL A 75 -7.712 6.196 1.878 1.00 0.00 C ATOM 1155 C VAL A 75 -9.207 6.280 2.162 1.00 0.00 C ATOM 1156 O VAL A 75 -9.734 7.353 2.454 1.00 0.00 O ATOM 1157 CB VAL A 75 -7.040 5.343 2.971 1.00 0.00 C ATOM 1158 CG1 VAL A 75 -5.554 5.658 3.057 1.00 0.00 C ATOM 1159 CG2 VAL A 75 -7.719 5.567 4.314 1.00 0.00 C ATOM 0 H VAL A 75 -6.951 7.967 2.704 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.555 5.721 0.909 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.149 4.292 2.705 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.097 5.046 3.834 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.080 5.442 2.099 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.419 6.712 3.299 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.232 4.957 5.074 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.643 6.619 4.589 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.770 5.286 4.242 1.00 0.00 H new ATOM 1169 N GLN A 76 -9.885 5.140 2.074 1.00 0.00 N ATOM 1170 CA GLN A 76 -11.321 5.085 2.321 1.00 0.00 C ATOM 1171 C GLN A 76 -11.689 3.840 3.122 1.00 0.00 C ATOM 1172 O GLN A 76 -11.095 2.776 2.943 1.00 0.00 O ATOM 1173 CB GLN A 76 -12.089 5.099 0.998 1.00 0.00 C ATOM 1174 CG GLN A 76 -11.741 6.280 0.106 1.00 0.00 C ATOM 1175 CD GLN A 76 -12.303 7.589 0.625 1.00 0.00 C ATOM 1176 OE1 GLN A 76 -12.918 7.635 1.690 1.00 0.00 O ATOM 1177 NE2 GLN A 76 -12.093 8.663 -0.127 1.00 0.00 N ATOM 0 H GLN A 76 -9.463 4.243 1.834 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.597 5.964 2.903 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.884 4.174 0.459 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -13.158 5.116 1.208 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -10.657 6.361 0.024 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -12.124 6.097 -0.898 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -11.578 8.579 -1.003 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -12.447 9.572 0.172 1.00 0.00 H new ATOM 1186 N LEU A 77 -12.670 3.980 4.006 1.00 0.00 N ATOM 1187 CA LEU A 77 -13.117 2.867 4.836 1.00 0.00 C ATOM 1188 C LEU A 77 -13.320 1.610 3.997 1.00 0.00 C ATOM 1189 O LEU A 77 -13.031 0.500 4.444 1.00 0.00 O ATOM 1190 CB LEU A 77 -14.418 3.230 5.554 1.00 0.00 C ATOM 1191 CG LEU A 77 -14.391 4.515 6.382 1.00 0.00 C ATOM 1192 CD1 LEU A 77 -15.760 4.791 6.984 1.00 0.00 C ATOM 1193 CD2 LEU A 77 -13.335 4.425 7.474 1.00 0.00 C ATOM 0 H LEU A 77 -13.171 4.854 4.167 1.00 0.00 H new ATOM 0 HA LEU A 77 -12.344 2.666 5.578 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -15.209 3.318 4.809 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.690 2.404 6.211 1.00 0.00 H new ATOM 0 HG LEU A 77 -14.133 5.343 5.722 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -15.721 5.709 7.570 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -16.493 4.901 6.185 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -16.048 3.961 7.629 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -13.331 5.349 8.053 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -13.562 3.586 8.131 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -12.355 4.276 7.021 1.00 0.00 H new ATOM 1205 N GLU A 78 -13.816 1.792 2.777 1.00 0.00 N ATOM 1206 CA GLU A 78 -14.056 0.672 1.875 1.00 0.00 C ATOM 1207 C GLU A 78 -12.741 0.034 1.437 1.00 0.00 C ATOM 1208 O GLU A 78 -12.642 -1.186 1.310 1.00 0.00 O ATOM 1209 CB GLU A 78 -14.844 1.136 0.648 1.00 0.00 C ATOM 1210 CG GLU A 78 -16.228 1.669 0.979 1.00 0.00 C ATOM 1211 CD GLU A 78 -17.042 0.700 1.814 1.00 0.00 C ATOM 1212 OE1 GLU A 78 -17.005 -0.513 1.520 1.00 0.00 O ATOM 1213 OE2 GLU A 78 -17.717 1.155 2.761 1.00 0.00 O ATOM 0 H GLU A 78 -14.059 2.704 2.391 1.00 0.00 H new ATOM 0 HA GLU A 78 -14.641 -0.075 2.412 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.277 1.914 0.136 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.942 0.302 -0.047 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -16.131 2.613 1.516 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -16.762 1.882 0.053 1.00 0.00 H new ATOM 1220 N ASP A 79 -11.733 0.869 1.208 1.00 0.00 N ATOM 1221 CA ASP A 79 -10.423 0.389 0.785 1.00 0.00 C ATOM 1222 C ASP A 79 -9.882 -0.648 1.764 1.00 0.00 C ATOM 1223 O ASP A 79 -9.240 -1.619 1.364 1.00 0.00 O ATOM 1224 CB ASP A 79 -9.442 1.556 0.665 1.00 0.00 C ATOM 1225 CG ASP A 79 -9.728 2.432 -0.539 1.00 0.00 C ATOM 1226 OD1 ASP A 79 -10.918 2.616 -0.869 1.00 0.00 O ATOM 1227 OD2 ASP A 79 -8.762 2.932 -1.152 1.00 0.00 O ATOM 0 H ASP A 79 -11.798 1.882 1.308 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.535 -0.083 -0.191 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.489 2.161 1.570 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -8.426 1.167 0.594 1.00 0.00 H new ATOM 1232 N SER A 80 -10.146 -0.434 3.050 1.00 0.00 N ATOM 1233 CA SER A 80 -9.681 -1.348 4.087 1.00 0.00 C ATOM 1234 C SER A 80 -9.960 -2.797 3.700 1.00 0.00 C ATOM 1235 O SER A 80 -11.114 -3.211 3.591 1.00 0.00 O ATOM 1236 CB SER A 80 -10.358 -1.025 5.421 1.00 0.00 C ATOM 1237 OG SER A 80 -11.713 -1.439 5.418 1.00 0.00 O ATOM 0 H SER A 80 -10.679 0.363 3.398 1.00 0.00 H new ATOM 0 HA SER A 80 -8.604 -1.220 4.193 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.825 -1.520 6.232 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.302 0.047 5.611 1.00 0.00 H new ATOM 0 HG SER A 80 -12.224 -0.882 4.794 1.00 0.00 H new ATOM 1243 N GLY A 81 -8.894 -3.564 3.494 1.00 0.00 N ATOM 1244 CA GLY A 81 -9.044 -4.958 3.122 1.00 0.00 C ATOM 1245 C GLY A 81 -7.743 -5.730 3.227 1.00 0.00 C ATOM 1246 O GLY A 81 -7.050 -5.654 4.241 1.00 0.00 O ATOM 0 H GLY A 81 -7.929 -3.244 3.578 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.792 -5.424 3.764 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.418 -5.020 2.100 1.00 0.00 H new ATOM 1250 N GLU A 82 -7.413 -6.476 2.177 1.00 0.00 N ATOM 1251 CA GLU A 82 -6.187 -7.266 2.159 1.00 0.00 C ATOM 1252 C GLU A 82 -5.302 -6.870 0.980 1.00 0.00 C ATOM 1253 O GLU A 82 -5.599 -7.193 -0.170 1.00 0.00 O ATOM 1254 CB GLU A 82 -6.518 -8.758 2.083 1.00 0.00 C ATOM 1255 CG GLU A 82 -5.474 -9.647 2.737 1.00 0.00 C ATOM 1256 CD GLU A 82 -5.823 -11.120 2.650 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -6.990 -11.471 2.925 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -4.930 -11.921 2.306 1.00 0.00 O ATOM 0 H GLU A 82 -7.976 -6.550 1.330 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.643 -7.068 3.082 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.482 -8.932 2.561 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.624 -9.045 1.037 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.508 -9.478 2.260 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.366 -9.364 3.784 1.00 0.00 H new ATOM 1265 N TYR A 83 -4.214 -6.167 1.276 1.00 0.00 N ATOM 1266 CA TYR A 83 -3.287 -5.723 0.242 1.00 0.00 C ATOM 1267 C TYR A 83 -2.211 -6.775 -0.013 1.00 0.00 C ATOM 1268 O TYR A 83 -1.322 -6.983 0.814 1.00 0.00 O ATOM 1269 CB TYR A 83 -2.636 -4.399 0.645 1.00 0.00 C ATOM 1270 CG TYR A 83 -3.431 -3.182 0.229 1.00 0.00 C ATOM 1271 CD1 TYR A 83 -4.525 -2.755 0.972 1.00 0.00 C ATOM 1272 CD2 TYR A 83 -3.090 -2.460 -0.908 1.00 0.00 C ATOM 1273 CE1 TYR A 83 -5.255 -1.644 0.595 1.00 0.00 C ATOM 1274 CE2 TYR A 83 -3.813 -1.348 -1.292 1.00 0.00 C ATOM 1275 CZ TYR A 83 -4.894 -0.944 -0.538 1.00 0.00 C ATOM 1276 OH TYR A 83 -5.618 0.164 -0.917 1.00 0.00 O ATOM 0 H TYR A 83 -3.953 -5.893 2.223 1.00 0.00 H new ATOM 0 HA TYR A 83 -3.852 -5.577 -0.678 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -2.503 -4.384 1.727 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -1.642 -4.343 0.201 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -4.810 -3.301 1.859 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -2.244 -2.774 -1.502 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -6.103 -1.326 1.183 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -3.533 -0.798 -2.178 1.00 0.00 H new ATOM 0 HH TYR A 83 -5.233 0.542 -1.735 1.00 0.00 H new ATOM 1286 N LEU A 84 -2.298 -7.434 -1.162 1.00 0.00 N ATOM 1287 CA LEU A 84 -1.333 -8.465 -1.528 1.00 0.00 C ATOM 1288 C LEU A 84 -0.420 -7.981 -2.651 1.00 0.00 C ATOM 1289 O LEU A 84 -0.886 -7.633 -3.736 1.00 0.00 O ATOM 1290 CB LEU A 84 -2.058 -9.741 -1.959 1.00 0.00 C ATOM 1291 CG LEU A 84 -2.278 -10.789 -0.867 1.00 0.00 C ATOM 1292 CD1 LEU A 84 -0.989 -11.544 -0.584 1.00 0.00 C ATOM 1293 CD2 LEU A 84 -2.803 -10.134 0.402 1.00 0.00 C ATOM 0 H LEU A 84 -3.027 -7.273 -1.857 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.720 -8.681 -0.653 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.029 -9.463 -2.369 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.491 -10.202 -2.768 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.023 -11.502 -1.220 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.165 -12.285 0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.654 -12.045 -1.492 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.222 -10.844 -0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.954 -10.894 1.168 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.081 -9.399 0.757 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.751 -9.639 0.191 1.00 0.00 H new ATOM 1305 N CYS A 85 0.881 -7.965 -2.383 1.00 0.00 N ATOM 1306 CA CYS A 85 1.859 -7.526 -3.372 1.00 0.00 C ATOM 1307 C CYS A 85 2.539 -8.721 -4.032 1.00 0.00 C ATOM 1308 O CYS A 85 3.365 -9.395 -3.416 1.00 0.00 O ATOM 1309 CB CYS A 85 2.907 -6.625 -2.717 1.00 0.00 C ATOM 1310 SG CYS A 85 3.925 -5.702 -3.892 1.00 0.00 S ATOM 0 H CYS A 85 1.283 -8.251 -1.490 1.00 0.00 H new ATOM 0 HA CYS A 85 1.333 -6.960 -4.141 1.00 0.00 H new ATOM 0 HB2 CYS A 85 2.402 -5.919 -2.057 1.00 0.00 H new ATOM 0 HB3 CYS A 85 3.557 -7.237 -2.092 1.00 0.00 H new ATOM 0 HG CYS A 85 3.487 -4.481 -3.980 1.00 0.00 H new ATOM 1316 N GLU A 86 2.185 -8.978 -5.287 1.00 0.00 N ATOM 1317 CA GLU A 86 2.761 -10.094 -6.029 1.00 0.00 C ATOM 1318 C GLU A 86 3.831 -9.607 -7.001 1.00 0.00 C ATOM 1319 O GLU A 86 3.656 -8.592 -7.676 1.00 0.00 O ATOM 1320 CB GLU A 86 1.668 -10.846 -6.791 1.00 0.00 C ATOM 1321 CG GLU A 86 0.376 -11.004 -6.006 1.00 0.00 C ATOM 1322 CD GLU A 86 -0.386 -12.260 -6.382 1.00 0.00 C ATOM 1323 OE1 GLU A 86 0.257 -13.318 -6.543 1.00 0.00 O ATOM 1324 OE2 GLU A 86 -1.625 -12.183 -6.514 1.00 0.00 O ATOM 0 H GLU A 86 1.503 -8.430 -5.811 1.00 0.00 H new ATOM 0 HA GLU A 86 3.227 -10.771 -5.313 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.456 -10.318 -7.721 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.041 -11.833 -7.063 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.603 -11.027 -4.940 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.258 -10.134 -6.178 1.00 0.00 H new ATOM 1331 N ILE A 87 4.939 -10.338 -7.066 1.00 0.00 N ATOM 1332 CA ILE A 87 6.037 -9.981 -7.956 1.00 0.00 C ATOM 1333 C ILE A 87 6.142 -10.961 -9.120 1.00 0.00 C ATOM 1334 O ILE A 87 6.103 -10.564 -10.284 1.00 0.00 O ATOM 1335 CB ILE A 87 7.381 -9.947 -7.205 1.00 0.00 C ATOM 1336 CG1 ILE A 87 8.532 -10.275 -8.159 1.00 0.00 C ATOM 1337 CG2 ILE A 87 7.360 -10.921 -6.037 1.00 0.00 C ATOM 1338 CD1 ILE A 87 9.832 -9.592 -7.796 1.00 0.00 C ATOM 0 H ILE A 87 5.100 -11.180 -6.514 1.00 0.00 H new ATOM 0 HA ILE A 87 5.820 -8.985 -8.342 1.00 0.00 H new ATOM 0 HB ILE A 87 7.535 -8.942 -6.812 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.688 -11.354 -8.169 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.249 -9.984 -9.171 1.00 0.00 H new ATOM 0 HG21 ILE A 87 8.317 -10.885 -5.516 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.561 -10.646 -5.348 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.187 -11.931 -6.409 1.00 0.00 H new ATOM 0 HD11 ILE A 87 10.602 -9.870 -8.515 1.00 0.00 H new ATOM 0 HD12 ILE A 87 9.692 -8.511 -7.814 1.00 0.00 H new ATOM 0 HD13 ILE A 87 10.139 -9.902 -6.797 1.00 0.00 H new ATOM 1350 N ASP A 88 6.275 -12.242 -8.796 1.00 0.00 N ATOM 1351 CA ASP A 88 6.383 -13.280 -9.815 1.00 0.00 C ATOM 1352 C ASP A 88 5.493 -14.471 -9.474 1.00 0.00 C ATOM 1353 O ASP A 88 4.457 -14.686 -10.104 1.00 0.00 O ATOM 1354 CB ASP A 88 7.836 -13.738 -9.956 1.00 0.00 C ATOM 1355 CG ASP A 88 8.169 -14.183 -11.366 1.00 0.00 C ATOM 1356 OD1 ASP A 88 7.597 -13.613 -12.318 1.00 0.00 O ATOM 1357 OD2 ASP A 88 9.001 -15.102 -11.518 1.00 0.00 O ATOM 0 H ASP A 88 6.311 -12.587 -7.837 1.00 0.00 H new ATOM 0 HA ASP A 88 6.049 -12.859 -10.763 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.500 -12.923 -9.669 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.023 -14.560 -9.265 1.00 0.00 H new ATOM 1362 N ASP A 89 5.904 -15.243 -8.473 1.00 0.00 N ATOM 1363 CA ASP A 89 5.144 -16.413 -8.048 1.00 0.00 C ATOM 1364 C ASP A 89 4.713 -16.280 -6.591 1.00 0.00 C ATOM 1365 O ASP A 89 3.830 -17.001 -6.127 1.00 0.00 O ATOM 1366 CB ASP A 89 5.976 -17.683 -8.233 1.00 0.00 C ATOM 1367 CG ASP A 89 5.958 -18.183 -9.664 1.00 0.00 C ATOM 1368 OD1 ASP A 89 4.882 -18.613 -10.129 1.00 0.00 O ATOM 1369 OD2 ASP A 89 7.021 -18.145 -10.320 1.00 0.00 O ATOM 0 H ASP A 89 6.759 -15.079 -7.941 1.00 0.00 H new ATOM 0 HA ASP A 89 4.250 -16.480 -8.668 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.005 -17.487 -7.933 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.595 -18.463 -7.574 1.00 0.00 H new ATOM 1374 N GLU A 90 5.344 -15.355 -5.874 1.00 0.00 N ATOM 1375 CA GLU A 90 5.026 -15.130 -4.469 1.00 0.00 C ATOM 1376 C GLU A 90 4.285 -13.809 -4.283 1.00 0.00 C ATOM 1377 O GLU A 90 4.194 -13.001 -5.207 1.00 0.00 O ATOM 1378 CB GLU A 90 6.304 -15.134 -3.627 1.00 0.00 C ATOM 1379 CG GLU A 90 7.522 -14.606 -4.367 1.00 0.00 C ATOM 1380 CD GLU A 90 8.125 -15.634 -5.305 1.00 0.00 C ATOM 1381 OE1 GLU A 90 7.691 -15.698 -6.475 1.00 0.00 O ATOM 1382 OE2 GLU A 90 9.031 -16.375 -4.870 1.00 0.00 O ATOM 0 H GLU A 90 6.078 -14.750 -6.243 1.00 0.00 H new ATOM 0 HA GLU A 90 4.377 -15.940 -4.136 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.142 -14.531 -2.734 1.00 0.00 H new ATOM 0 HB3 GLU A 90 6.505 -16.152 -3.292 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.241 -13.720 -4.937 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.275 -14.294 -3.643 1.00 0.00 H new ATOM 1389 N SER A 91 3.758 -13.597 -3.081 1.00 0.00 N ATOM 1390 CA SER A 91 3.021 -12.377 -2.774 1.00 0.00 C ATOM 1391 C SER A 91 3.221 -11.974 -1.317 1.00 0.00 C ATOM 1392 O SER A 91 3.410 -12.823 -0.447 1.00 0.00 O ATOM 1393 CB SER A 91 1.531 -12.570 -3.062 1.00 0.00 C ATOM 1394 OG SER A 91 1.016 -13.688 -2.360 1.00 0.00 O ATOM 0 H SER A 91 3.828 -14.254 -2.304 1.00 0.00 H new ATOM 0 HA SER A 91 3.406 -11.579 -3.409 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.983 -11.673 -2.775 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.379 -12.708 -4.133 1.00 0.00 H new ATOM 0 HG SER A 91 0.062 -13.789 -2.560 1.00 0.00 H new ATOM 1400 N ALA A 92 3.177 -10.671 -1.059 1.00 0.00 N ATOM 1401 CA ALA A 92 3.351 -10.154 0.293 1.00 0.00 C ATOM 1402 C ALA A 92 2.014 -9.742 0.899 1.00 0.00 C ATOM 1403 O ALA A 92 1.232 -9.026 0.274 1.00 0.00 O ATOM 1404 CB ALA A 92 4.315 -8.977 0.287 1.00 0.00 C ATOM 0 H ALA A 92 3.022 -9.954 -1.768 1.00 0.00 H new ATOM 0 HA ALA A 92 3.770 -10.950 0.909 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.436 -8.601 1.303 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.282 -9.301 -0.098 1.00 0.00 H new ATOM 0 HB3 ALA A 92 3.919 -8.185 -0.349 1.00 0.00 H new ATOM 1410 N SER A 93 1.758 -10.198 2.121 1.00 0.00 N ATOM 1411 CA SER A 93 0.513 -9.880 2.811 1.00 0.00 C ATOM 1412 C SER A 93 0.623 -8.547 3.545 1.00 0.00 C ATOM 1413 O SER A 93 1.531 -8.343 4.351 1.00 0.00 O ATOM 1414 CB SER A 93 0.155 -10.991 3.799 1.00 0.00 C ATOM 1415 OG SER A 93 -0.883 -10.582 4.673 1.00 0.00 O ATOM 0 H SER A 93 2.396 -10.789 2.654 1.00 0.00 H new ATOM 0 HA SER A 93 -0.277 -9.799 2.064 1.00 0.00 H new ATOM 0 HB2 SER A 93 -0.155 -11.882 3.253 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.037 -11.264 4.379 1.00 0.00 H new ATOM 0 HG SER A 93 -1.586 -11.265 4.689 1.00 0.00 H new ATOM 1421 N PHE A 94 -0.307 -7.643 3.259 1.00 0.00 N ATOM 1422 CA PHE A 94 -0.315 -6.328 3.890 1.00 0.00 C ATOM 1423 C PHE A 94 -1.718 -5.963 4.367 1.00 0.00 C ATOM 1424 O PHE A 94 -2.564 -5.539 3.579 1.00 0.00 O ATOM 1425 CB PHE A 94 0.196 -5.267 2.913 1.00 0.00 C ATOM 1426 CG PHE A 94 1.686 -5.295 2.723 1.00 0.00 C ATOM 1427 CD1 PHE A 94 2.532 -4.811 3.707 1.00 0.00 C ATOM 1428 CD2 PHE A 94 2.239 -5.806 1.560 1.00 0.00 C ATOM 1429 CE1 PHE A 94 3.904 -4.836 3.536 1.00 0.00 C ATOM 1430 CE2 PHE A 94 3.610 -5.834 1.383 1.00 0.00 C ATOM 1431 CZ PHE A 94 4.443 -5.347 2.371 1.00 0.00 C ATOM 0 H PHE A 94 -1.065 -7.796 2.594 1.00 0.00 H new ATOM 0 HA PHE A 94 0.347 -6.363 4.756 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -0.288 -5.411 1.947 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -0.098 -4.281 3.273 1.00 0.00 H new ATOM 0 HD1 PHE A 94 2.115 -4.409 4.619 1.00 0.00 H new ATOM 0 HD2 PHE A 94 1.592 -6.187 0.783 1.00 0.00 H new ATOM 0 HE1 PHE A 94 4.553 -4.457 4.312 1.00 0.00 H new ATOM 0 HE2 PHE A 94 4.029 -6.236 0.473 1.00 0.00 H new ATOM 0 HZ PHE A 94 5.514 -5.366 2.233 1.00 0.00 H new ATOM 1441 N THR A 95 -1.957 -6.130 5.664 1.00 0.00 N ATOM 1442 CA THR A 95 -3.257 -5.820 6.248 1.00 0.00 C ATOM 1443 C THR A 95 -3.392 -4.328 6.527 1.00 0.00 C ATOM 1444 O THR A 95 -2.603 -3.752 7.277 1.00 0.00 O ATOM 1445 CB THR A 95 -3.484 -6.598 7.557 1.00 0.00 C ATOM 1446 OG1 THR A 95 -3.663 -7.991 7.274 1.00 0.00 O ATOM 1447 CG2 THR A 95 -4.701 -6.066 8.298 1.00 0.00 C ATOM 0 H THR A 95 -1.268 -6.478 6.330 1.00 0.00 H new ATOM 0 HA THR A 95 -4.011 -6.120 5.520 1.00 0.00 H new ATOM 0 HB THR A 95 -2.606 -6.466 8.190 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.805 -8.479 8.112 1.00 0.00 H new ATOM 0 HG21 THR A 95 -4.842 -6.631 9.220 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.550 -5.013 8.537 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.585 -6.172 7.669 1.00 0.00 H new ATOM 1455 N VAL A 96 -4.397 -3.705 5.919 1.00 0.00 N ATOM 1456 CA VAL A 96 -4.637 -2.279 6.104 1.00 0.00 C ATOM 1457 C VAL A 96 -6.085 -2.012 6.498 1.00 0.00 C ATOM 1458 O VAL A 96 -6.978 -1.992 5.650 1.00 0.00 O ATOM 1459 CB VAL A 96 -4.309 -1.484 4.826 1.00 0.00 C ATOM 1460 CG1 VAL A 96 -4.591 -0.003 5.030 1.00 0.00 C ATOM 1461 CG2 VAL A 96 -2.861 -1.708 4.417 1.00 0.00 C ATOM 0 H VAL A 96 -5.058 -4.166 5.294 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.978 -1.949 6.907 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.950 -1.843 4.021 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.353 0.542 4.116 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.645 0.137 5.272 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.978 0.375 5.848 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.646 -1.139 3.512 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.201 -1.377 5.219 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.697 -2.769 4.226 1.00 0.00 H new ATOM 1471 N THR A 97 -6.312 -1.805 7.791 1.00 0.00 N ATOM 1472 CA THR A 97 -7.652 -1.539 8.299 1.00 0.00 C ATOM 1473 C THR A 97 -7.839 -0.059 8.610 1.00 0.00 C ATOM 1474 O THR A 97 -7.153 0.497 9.468 1.00 0.00 O ATOM 1475 CB THR A 97 -7.945 -2.360 9.569 1.00 0.00 C ATOM 1476 OG1 THR A 97 -7.854 -3.759 9.281 1.00 0.00 O ATOM 1477 CG2 THR A 97 -9.328 -2.038 10.115 1.00 0.00 C ATOM 0 H THR A 97 -5.585 -1.816 8.506 1.00 0.00 H new ATOM 0 HA THR A 97 -8.350 -1.834 7.516 1.00 0.00 H new ATOM 0 HB THR A 97 -7.204 -2.097 10.323 1.00 0.00 H new ATOM 0 HG1 THR A 97 -8.040 -4.273 10.094 1.00 0.00 H new ATOM 0 HG21 THR A 97 -9.512 -2.630 11.012 1.00 0.00 H new ATOM 0 HG22 THR A 97 -9.384 -0.978 10.362 1.00 0.00 H new ATOM 0 HG23 THR A 97 -10.080 -2.275 9.363 1.00 0.00 H new ATOM 1485 N VAL A 98 -8.772 0.576 7.907 1.00 0.00 N ATOM 1486 CA VAL A 98 -9.050 1.993 8.110 1.00 0.00 C ATOM 1487 C VAL A 98 -10.268 2.191 9.005 1.00 0.00 C ATOM 1488 O VAL A 98 -11.198 1.384 8.997 1.00 0.00 O ATOM 1489 CB VAL A 98 -9.289 2.715 6.770 1.00 0.00 C ATOM 1490 CG1 VAL A 98 -9.558 4.194 7.001 1.00 0.00 C ATOM 1491 CG2 VAL A 98 -8.101 2.519 5.841 1.00 0.00 C ATOM 0 H VAL A 98 -9.348 0.131 7.192 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.173 2.422 8.595 1.00 0.00 H new ATOM 0 HB VAL A 98 -10.168 2.281 6.294 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -9.724 4.687 6.043 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -10.443 4.309 7.627 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -8.700 4.647 7.498 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -8.287 3.035 4.899 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.204 2.926 6.307 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.960 1.455 5.650 1.00 0.00 H new ATOM 1501 N THR A 99 -10.257 3.272 9.779 1.00 0.00 N ATOM 1502 CA THR A 99 -11.360 3.577 10.681 1.00 0.00 C ATOM 1503 C THR A 99 -11.669 5.070 10.687 1.00 0.00 C ATOM 1504 O THR A 99 -11.004 5.853 10.010 1.00 0.00 O ATOM 1505 CB THR A 99 -11.050 3.123 12.120 1.00 0.00 C ATOM 1506 OG1 THR A 99 -9.817 3.702 12.562 1.00 0.00 O ATOM 1507 CG2 THR A 99 -10.963 1.607 12.202 1.00 0.00 C ATOM 0 H THR A 99 -9.496 3.951 9.799 1.00 0.00 H new ATOM 0 HA THR A 99 -12.229 3.031 10.314 1.00 0.00 H new ATOM 0 HB THR A 99 -11.861 3.460 12.766 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.628 3.410 13.478 1.00 0.00 H new ATOM 0 HG21 THR A 99 -10.743 1.310 13.228 1.00 0.00 H new ATOM 0 HG22 THR A 99 -11.913 1.171 11.894 1.00 0.00 H new ATOM 0 HG23 THR A 99 -10.170 1.252 11.544 1.00 0.00 H new ATOM 1515 N GLU A 100 -12.681 5.457 11.457 1.00 0.00 N ATOM 1516 CA GLU A 100 -13.077 6.858 11.549 1.00 0.00 C ATOM 1517 C GLU A 100 -12.187 7.611 12.534 1.00 0.00 C ATOM 1518 O GLU A 100 -11.894 7.138 13.632 1.00 0.00 O ATOM 1519 CB GLU A 100 -14.541 6.969 11.981 1.00 0.00 C ATOM 1520 CG GLU A 100 -15.503 6.230 11.066 1.00 0.00 C ATOM 1521 CD GLU A 100 -16.763 5.784 11.782 1.00 0.00 C ATOM 1522 OE1 GLU A 100 -16.737 4.704 12.409 1.00 0.00 O ATOM 1523 OE2 GLU A 100 -17.774 6.514 11.717 1.00 0.00 O ATOM 0 H GLU A 100 -13.241 4.822 12.025 1.00 0.00 H new ATOM 0 HA GLU A 100 -12.961 7.308 10.563 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -14.643 6.578 12.993 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -14.822 8.022 12.016 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -15.774 6.877 10.231 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -15.001 5.359 10.645 1.00 0.00 H new ATOM 1530 N PRO A 101 -11.745 8.812 12.132 1.00 0.00 N ATOM 1531 CA PRO A 101 -10.882 9.657 12.962 1.00 0.00 C ATOM 1532 C PRO A 101 -11.616 10.223 14.173 1.00 0.00 C ATOM 1533 O PRO A 101 -12.845 10.199 14.250 1.00 0.00 O ATOM 1534 CB PRO A 101 -10.468 10.783 12.013 1.00 0.00 C ATOM 1535 CG PRO A 101 -11.561 10.848 11.003 1.00 0.00 C ATOM 1536 CD PRO A 101 -12.054 9.438 10.835 1.00 0.00 C ATOM 0 HA PRO A 101 -10.041 9.099 13.375 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -10.363 11.729 12.544 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -9.507 10.572 11.544 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -12.364 11.505 11.338 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -11.195 11.249 10.058 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -13.122 9.409 10.619 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.548 8.931 10.013 1.00 0.00 H new ATOM 1544 N PRO A 102 -10.849 10.746 15.141 1.00 0.00 N ATOM 1545 CA PRO A 102 -11.406 11.329 16.364 1.00 0.00 C ATOM 1546 C PRO A 102 -12.137 12.641 16.100 1.00 0.00 C ATOM 1547 O PRO A 102 -12.213 13.103 14.962 1.00 0.00 O ATOM 1548 CB PRO A 102 -10.172 11.571 17.236 1.00 0.00 C ATOM 1549 CG PRO A 102 -9.047 11.712 16.270 1.00 0.00 C ATOM 1550 CD PRO A 102 -9.378 10.807 15.115 1.00 0.00 C ATOM 0 HA PRO A 102 -12.149 10.677 16.824 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -10.287 12.469 17.844 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -10.003 10.741 17.922 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -8.944 12.745 15.939 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -8.100 11.428 16.729 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -9.009 11.208 14.171 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.933 9.820 15.237 1.00 0.00 H new