USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 676 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 62 ASN :FLIP amide:sc= -3.4 F(o=-8.7!,f=-4) USER MOD Set 1.2: A 64 HIS :FLIP no HD1:sc= -0.647 F(o=-8.8,f=-4) USER MOD Set 2.1: A 27 GLN : amide:sc= -0.218 X(o=-0.44,f=-0.32) USER MOD Set 2.2: A 61 HIS : no HD1:sc= -0.221 X(o=-0.44,f=-0.48) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 39:sc= 0.0299 USER MOD Single : A 18 ASN : amide:sc= -0.395 X(o=-0.39,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 162:sc= -0.0298 (180deg=-0.287) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 34:sc= 0.185 USER MOD Single : A 49 TYR OH : rot 32:sc= 0.00853 USER MOD Single : A 51 LYS NZ :NH3+ 153:sc= -0.676 (180deg=-2.05!) USER MOD Single : A 52 SER OG : rot 160:sc= -3.24 USER MOD Single : A 57 SER OG : rot -103:sc= 0.771 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 GLN :FLIP amide:sc= -4.25! C(o=-5.5!,f=-4.2!) USER MOD Single : A 68 ASN : amide:sc= -0.708 K(o=-0.71,f=-4.8!) USER MOD Single : A 70 LYS NZ :NH3+ -161:sc= -0.165 (180deg=-0.706) USER MOD Single : A 78 ASN : amide:sc= -0.207 K(o=-0.21,f=-3.5!) USER MOD Single : A 80 GLN :FLIP amide:sc= -0.643 F(o=-1.3,f=-0.64) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 HIS : no HD1:sc= -0.992 K(o=-0.99,f=-2.2!) USER MOD Single : A 93 ASN : amide:sc= 0.0585 X(o=0.059,f=-0.17) USER MOD Single : A 96 GLN : amide:sc= 0.785 K(o=0.78,f=-0.016) USER MOD Single : A 99 HIS : no HE2:sc= -1.83 K(o=-1.8,f=-2.7!) USER MOD Single : A 101 THR OG1 : rot 81:sc= -0.248 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 118 N LEU A 13 -8.179 -2.451 -15.077 1.00 0.00 N ATOM 119 CA LEU A 13 -8.883 -1.878 -13.936 1.00 0.00 C ATOM 120 C LEU A 13 -8.015 -0.846 -13.222 1.00 0.00 C ATOM 121 O LEU A 13 -8.522 0.128 -12.665 1.00 0.00 O ATOM 122 CB LEU A 13 -9.292 -2.981 -12.958 1.00 0.00 C ATOM 123 CG LEU A 13 -10.409 -3.913 -13.427 1.00 0.00 C ATOM 124 CD1 LEU A 13 -11.689 -3.130 -13.675 1.00 0.00 C ATOM 125 CD2 LEU A 13 -9.988 -4.661 -14.683 1.00 0.00 C ATOM 0 HA LEU A 13 -9.778 -1.379 -14.307 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.413 -3.585 -12.734 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.604 -2.514 -12.024 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.600 -4.643 -12.641 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.473 -3.810 -14.008 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.001 -2.641 -12.752 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.512 -2.377 -14.443 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.796 -5.320 -15.002 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.768 -3.946 -15.476 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.098 -5.254 -14.472 1.00 0.00 H new ATOM 137 N PHE A 14 -6.705 -1.066 -13.245 1.00 0.00 N ATOM 138 CA PHE A 14 -5.766 -0.155 -12.601 1.00 0.00 C ATOM 139 C PHE A 14 -4.889 0.543 -13.637 1.00 0.00 C ATOM 140 O PHE A 14 -4.752 0.074 -14.766 1.00 0.00 O ATOM 141 CB PHE A 14 -4.889 -0.913 -11.602 1.00 0.00 C ATOM 142 CG PHE A 14 -5.660 -1.858 -10.726 1.00 0.00 C ATOM 143 CD1 PHE A 14 -6.044 -3.104 -11.197 1.00 0.00 C ATOM 144 CD2 PHE A 14 -6.000 -1.502 -9.431 1.00 0.00 C ATOM 145 CE1 PHE A 14 -6.754 -3.975 -10.392 1.00 0.00 C ATOM 146 CE2 PHE A 14 -6.710 -2.369 -8.622 1.00 0.00 C ATOM 147 CZ PHE A 14 -7.086 -3.608 -9.103 1.00 0.00 C ATOM 0 H PHE A 14 -6.269 -1.867 -13.702 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.341 0.602 -12.067 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.130 -1.473 -12.148 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.363 -0.194 -10.973 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -5.786 -3.397 -12.204 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -5.707 -0.535 -9.049 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.049 -4.942 -10.771 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.970 -2.078 -7.615 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.639 -4.288 -8.472 1.00 0.00 H new ATOM 157 N GLU A 15 -4.299 1.667 -13.243 1.00 0.00 N ATOM 158 CA GLU A 15 -3.436 2.431 -14.137 1.00 0.00 C ATOM 159 C GLU A 15 -2.021 2.531 -13.575 1.00 0.00 C ATOM 160 O GLU A 15 -1.829 2.826 -12.395 1.00 0.00 O ATOM 161 CB GLU A 15 -4.009 3.832 -14.360 1.00 0.00 C ATOM 162 CG GLU A 15 -4.290 4.587 -13.072 1.00 0.00 C ATOM 163 CD GLU A 15 -4.210 6.091 -13.248 1.00 0.00 C ATOM 164 OE1 GLU A 15 -5.163 6.674 -13.806 1.00 0.00 O ATOM 165 OE2 GLU A 15 -3.195 6.685 -12.828 1.00 0.00 O ATOM 0 H GLU A 15 -4.403 2.069 -12.311 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.392 1.908 -15.092 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.309 4.409 -14.964 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.933 3.751 -14.932 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.282 4.320 -12.708 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.576 4.276 -12.310 1.00 0.00 H new ATOM 172 N THR A 16 -1.032 2.282 -14.428 1.00 0.00 N ATOM 173 CA THR A 16 0.365 2.343 -14.017 1.00 0.00 C ATOM 174 C THR A 16 0.998 3.671 -14.414 1.00 0.00 C ATOM 175 O THR A 16 0.702 4.218 -15.477 1.00 0.00 O ATOM 176 CB THR A 16 1.182 1.193 -14.635 1.00 0.00 C ATOM 177 OG1 THR A 16 0.562 -0.064 -14.339 1.00 0.00 O ATOM 178 CG2 THR A 16 2.608 1.197 -14.107 1.00 0.00 C ATOM 0 H THR A 16 -1.173 2.036 -15.408 1.00 0.00 H new ATOM 0 HA THR A 16 0.379 2.248 -12.931 1.00 0.00 H new ATOM 0 HB THR A 16 1.211 1.338 -15.715 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.087 -0.789 -14.737 1.00 0.00 H new ATOM 0 HG21 THR A 16 3.165 0.376 -14.558 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.087 2.143 -14.360 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.595 1.075 -13.024 1.00 0.00 H new ATOM 186 N TYR A 17 1.869 4.186 -13.554 1.00 0.00 N ATOM 187 CA TYR A 17 2.543 5.452 -13.815 1.00 0.00 C ATOM 188 C TYR A 17 3.974 5.427 -13.286 1.00 0.00 C ATOM 189 O TYR A 17 4.255 4.824 -12.251 1.00 0.00 O ATOM 190 CB TYR A 17 1.771 6.606 -13.173 1.00 0.00 C ATOM 191 CG TYR A 17 1.508 6.412 -11.697 1.00 0.00 C ATOM 192 CD1 TYR A 17 0.436 5.645 -11.258 1.00 0.00 C ATOM 193 CD2 TYR A 17 2.330 6.996 -10.741 1.00 0.00 C ATOM 194 CE1 TYR A 17 0.191 5.465 -9.910 1.00 0.00 C ATOM 195 CE2 TYR A 17 2.094 6.820 -9.392 1.00 0.00 C ATOM 196 CZ TYR A 17 1.023 6.054 -8.981 1.00 0.00 C ATOM 197 OH TYR A 17 0.783 5.878 -7.638 1.00 0.00 O ATOM 0 H TYR A 17 2.125 3.746 -12.670 1.00 0.00 H new ATOM 0 HA TYR A 17 2.576 5.601 -14.894 1.00 0.00 H new ATOM 0 HB2 TYR A 17 2.331 7.530 -13.315 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.819 6.727 -13.690 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.217 5.182 -11.983 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.168 7.598 -11.059 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.647 4.866 -9.586 1.00 0.00 H new ATOM 0 HE2 TYR A 17 2.744 7.280 -8.663 1.00 0.00 H new ATOM 0 HH TYR A 17 0.486 4.958 -7.477 1.00 0.00 H new ATOM 207 N ASN A 18 4.876 6.088 -14.006 1.00 0.00 N ATOM 208 CA ASN A 18 6.278 6.142 -13.610 1.00 0.00 C ATOM 209 C ASN A 18 6.577 7.424 -12.839 1.00 0.00 C ATOM 210 O ASN A 18 6.186 8.515 -13.252 1.00 0.00 O ATOM 211 CB ASN A 18 7.181 6.053 -14.843 1.00 0.00 C ATOM 212 CG ASN A 18 7.295 4.638 -15.375 1.00 0.00 C ATOM 213 OD1 ASN A 18 8.380 4.056 -15.396 1.00 0.00 O ATOM 214 ND2 ASN A 18 6.172 4.076 -15.808 1.00 0.00 N ATOM 0 H ASN A 18 4.660 6.593 -14.866 1.00 0.00 H new ATOM 0 HA ASN A 18 6.479 5.292 -12.958 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.788 6.702 -15.626 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.174 6.424 -14.590 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.187 3.125 -16.177 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.295 4.595 -15.772 1.00 0.00 H new ATOM 221 N VAL A 19 7.274 7.284 -11.716 1.00 0.00 N ATOM 222 CA VAL A 19 7.627 8.430 -10.887 1.00 0.00 C ATOM 223 C VAL A 19 9.140 8.574 -10.764 1.00 0.00 C ATOM 224 O VAL A 19 9.807 7.731 -10.166 1.00 0.00 O ATOM 225 CB VAL A 19 7.018 8.312 -9.477 1.00 0.00 C ATOM 226 CG1 VAL A 19 6.943 9.678 -8.812 1.00 0.00 C ATOM 227 CG2 VAL A 19 5.642 7.666 -9.544 1.00 0.00 C ATOM 0 H VAL A 19 7.605 6.388 -11.359 1.00 0.00 H new ATOM 0 HA VAL A 19 7.219 9.313 -11.378 1.00 0.00 H new ATOM 0 HB VAL A 19 7.664 7.675 -8.873 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.510 9.575 -7.817 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.945 10.098 -8.730 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.320 10.341 -9.412 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.226 7.590 -8.539 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.984 8.275 -10.164 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.729 6.669 -9.977 1.00 0.00 H new ATOM 237 N GLU A 20 9.674 9.649 -11.335 1.00 0.00 N ATOM 238 CA GLU A 20 11.109 9.904 -11.289 1.00 0.00 C ATOM 239 C GLU A 20 11.483 10.691 -10.037 1.00 0.00 C ATOM 240 O GLU A 20 11.424 11.921 -10.022 1.00 0.00 O ATOM 241 CB GLU A 20 11.554 10.669 -12.538 1.00 0.00 C ATOM 242 CG GLU A 20 13.063 10.789 -12.672 1.00 0.00 C ATOM 243 CD GLU A 20 13.611 12.033 -12.001 1.00 0.00 C ATOM 244 OE1 GLU A 20 13.030 13.120 -12.200 1.00 0.00 O ATOM 245 OE2 GLU A 20 14.622 11.919 -11.277 1.00 0.00 O ATOM 0 H GLU A 20 9.135 10.357 -11.834 1.00 0.00 H new ATOM 0 HA GLU A 20 11.622 8.942 -11.258 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.158 10.168 -13.421 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.119 11.668 -12.516 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.534 9.908 -12.236 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.330 10.803 -13.729 1.00 0.00 H new ATOM 252 N LEU A 21 11.867 9.974 -8.987 1.00 0.00 N ATOM 253 CA LEU A 21 12.250 10.604 -7.728 1.00 0.00 C ATOM 254 C LEU A 21 13.706 11.057 -7.767 1.00 0.00 C ATOM 255 O LEU A 21 14.563 10.378 -8.333 1.00 0.00 O ATOM 256 CB LEU A 21 12.036 9.635 -6.564 1.00 0.00 C ATOM 257 CG LEU A 21 10.616 9.092 -6.394 1.00 0.00 C ATOM 258 CD1 LEU A 21 10.596 7.958 -5.381 1.00 0.00 C ATOM 259 CD2 LEU A 21 9.667 10.204 -5.971 1.00 0.00 C ATOM 0 H LEU A 21 11.922 8.955 -8.982 1.00 0.00 H new ATOM 0 HA LEU A 21 11.620 11.481 -7.582 1.00 0.00 H new ATOM 0 HB2 LEU A 21 12.713 8.791 -6.691 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.324 10.138 -5.641 1.00 0.00 H new ATOM 0 HG LEU A 21 10.280 8.700 -7.354 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.578 7.584 -5.273 1.00 0.00 H new ATOM 0 HD12 LEU A 21 11.244 7.152 -5.725 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.952 8.324 -4.418 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.661 9.800 -5.855 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.000 10.626 -5.023 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.659 10.984 -6.732 1.00 0.00 H new ATOM 271 N VAL A 22 13.979 12.207 -7.159 1.00 0.00 N ATOM 272 CA VAL A 22 15.332 12.749 -7.121 1.00 0.00 C ATOM 273 C VAL A 22 15.928 12.640 -5.722 1.00 0.00 C ATOM 274 O VAL A 22 15.239 12.851 -4.724 1.00 0.00 O ATOM 275 CB VAL A 22 15.358 14.224 -7.565 1.00 0.00 C ATOM 276 CG1 VAL A 22 14.523 15.079 -6.624 1.00 0.00 C ATOM 277 CG2 VAL A 22 16.790 14.734 -7.633 1.00 0.00 C ATOM 0 H VAL A 22 13.281 12.781 -6.686 1.00 0.00 H new ATOM 0 HA VAL A 22 15.930 12.158 -7.815 1.00 0.00 H new ATOM 0 HB VAL A 22 14.924 14.294 -8.562 1.00 0.00 H new ATOM 0 HG11 VAL A 22 14.553 16.118 -6.953 1.00 0.00 H new ATOM 0 HG12 VAL A 22 13.492 14.726 -6.630 1.00 0.00 H new ATOM 0 HG13 VAL A 22 14.925 15.007 -5.613 1.00 0.00 H new ATOM 0 HG21 VAL A 22 16.790 15.777 -7.948 1.00 0.00 H new ATOM 0 HG22 VAL A 22 17.253 14.652 -6.649 1.00 0.00 H new ATOM 0 HG23 VAL A 22 17.355 14.138 -8.350 1.00 0.00 H new ATOM 287 N ARG A 23 17.214 12.309 -5.658 1.00 0.00 N ATOM 288 CA ARG A 23 17.904 12.171 -4.381 1.00 0.00 C ATOM 289 C ARG A 23 18.871 13.329 -4.157 1.00 0.00 C ATOM 290 O ARG A 23 19.933 13.394 -4.776 1.00 0.00 O ATOM 291 CB ARG A 23 18.661 10.843 -4.327 1.00 0.00 C ATOM 292 CG ARG A 23 17.773 9.626 -4.531 1.00 0.00 C ATOM 293 CD ARG A 23 18.311 8.413 -3.790 1.00 0.00 C ATOM 294 NE ARG A 23 19.614 7.993 -4.301 1.00 0.00 N ATOM 295 CZ ARG A 23 20.488 7.286 -3.593 1.00 0.00 C ATOM 296 NH1 ARG A 23 20.200 6.922 -2.351 1.00 0.00 N ATOM 297 NH2 ARG A 23 21.653 6.942 -4.127 1.00 0.00 N ATOM 0 H ARG A 23 17.798 12.132 -6.475 1.00 0.00 H new ATOM 0 HA ARG A 23 17.155 12.187 -3.589 1.00 0.00 H new ATOM 0 HB2 ARG A 23 19.439 10.847 -5.091 1.00 0.00 H new ATOM 0 HB3 ARG A 23 19.162 10.759 -3.362 1.00 0.00 H new ATOM 0 HG2 ARG A 23 16.764 9.848 -4.183 1.00 0.00 H new ATOM 0 HG3 ARG A 23 17.701 9.401 -5.595 1.00 0.00 H new ATOM 0 HD2 ARG A 23 18.396 8.645 -2.728 1.00 0.00 H new ATOM 0 HD3 ARG A 23 17.603 7.589 -3.881 1.00 0.00 H new ATOM 0 HE ARG A 23 19.866 8.257 -5.253 1.00 0.00 H new ATOM 0 HH11 ARG A 23 19.306 7.185 -1.937 1.00 0.00 H new ATOM 0 HH12 ARG A 23 20.873 6.379 -1.810 1.00 0.00 H new ATOM 0 HH21 ARG A 23 21.878 7.220 -5.082 1.00 0.00 H new ATOM 0 HH22 ARG A 23 22.323 6.399 -3.582 1.00 0.00 H new ATOM 311 N LYS A 24 18.496 14.244 -3.269 1.00 0.00 N ATOM 312 CA LYS A 24 19.329 15.400 -2.962 1.00 0.00 C ATOM 313 C LYS A 24 20.739 14.967 -2.572 1.00 0.00 C ATOM 314 O LYS A 24 21.013 13.776 -2.421 1.00 0.00 O ATOM 315 CB LYS A 24 18.704 16.219 -1.830 1.00 0.00 C ATOM 316 CG LYS A 24 17.727 17.277 -2.313 1.00 0.00 C ATOM 317 CD LYS A 24 17.543 18.378 -1.282 1.00 0.00 C ATOM 318 CE LYS A 24 16.314 19.222 -1.582 1.00 0.00 C ATOM 319 NZ LYS A 24 15.052 18.459 -1.374 1.00 0.00 N ATOM 0 H LYS A 24 17.619 14.207 -2.749 1.00 0.00 H new ATOM 0 HA LYS A 24 19.393 16.018 -3.857 1.00 0.00 H new ATOM 0 HB2 LYS A 24 18.188 15.544 -1.147 1.00 0.00 H new ATOM 0 HB3 LYS A 24 19.498 16.702 -1.261 1.00 0.00 H new ATOM 0 HG2 LYS A 24 18.088 17.708 -3.247 1.00 0.00 H new ATOM 0 HG3 LYS A 24 16.764 16.814 -2.528 1.00 0.00 H new ATOM 0 HD2 LYS A 24 17.449 17.937 -0.290 1.00 0.00 H new ATOM 0 HD3 LYS A 24 18.428 19.014 -1.266 1.00 0.00 H new ATOM 0 HE2 LYS A 24 16.314 20.104 -0.942 1.00 0.00 H new ATOM 0 HE3 LYS A 24 16.359 19.575 -2.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 14.256 19.122 -1.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.890 17.828 -2.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 15.128 17.893 -0.505 1.00 0.00 H new ATOM 333 N ASP A 25 21.628 15.940 -2.409 1.00 0.00 N ATOM 334 CA ASP A 25 23.009 15.660 -2.034 1.00 0.00 C ATOM 335 C ASP A 25 23.073 14.960 -0.680 1.00 0.00 C ATOM 336 O ASP A 25 23.173 15.609 0.361 1.00 0.00 O ATOM 337 CB ASP A 25 23.822 16.955 -1.992 1.00 0.00 C ATOM 338 CG ASP A 25 23.839 17.671 -3.328 1.00 0.00 C ATOM 339 OD1 ASP A 25 24.343 17.086 -4.309 1.00 0.00 O ATOM 340 OD2 ASP A 25 23.346 18.817 -3.392 1.00 0.00 O ATOM 0 H ASP A 25 21.417 16.930 -2.531 1.00 0.00 H new ATOM 0 HA ASP A 25 23.436 14.997 -2.786 1.00 0.00 H new ATOM 0 HB2 ASP A 25 23.406 17.618 -1.233 1.00 0.00 H new ATOM 0 HB3 ASP A 25 24.845 16.729 -1.691 1.00 0.00 H new ATOM 345 N GLY A 26 23.013 13.632 -0.701 1.00 0.00 N ATOM 346 CA GLY A 26 23.064 12.867 0.531 1.00 0.00 C ATOM 347 C GLY A 26 21.685 12.580 1.092 1.00 0.00 C ATOM 348 O GLY A 26 21.467 12.682 2.299 1.00 0.00 O ATOM 0 H GLY A 26 22.930 13.072 -1.550 1.00 0.00 H new ATOM 0 HA2 GLY A 26 23.582 11.925 0.349 1.00 0.00 H new ATOM 0 HA3 GLY A 26 23.647 13.414 1.271 1.00 0.00 H new ATOM 352 N GLN A 27 20.754 12.222 0.215 1.00 0.00 N ATOM 353 CA GLN A 27 19.389 11.921 0.630 1.00 0.00 C ATOM 354 C GLN A 27 19.017 10.484 0.281 1.00 0.00 C ATOM 355 O GLN A 27 19.642 9.862 -0.578 1.00 0.00 O ATOM 356 CB GLN A 27 18.407 12.890 -0.032 1.00 0.00 C ATOM 357 CG GLN A 27 16.974 12.727 0.449 1.00 0.00 C ATOM 358 CD GLN A 27 16.132 13.964 0.205 1.00 0.00 C ATOM 359 OE1 GLN A 27 16.434 15.044 0.714 1.00 0.00 O ATOM 360 NE2 GLN A 27 15.070 13.813 -0.577 1.00 0.00 N ATOM 0 H GLN A 27 20.919 12.133 -0.788 1.00 0.00 H new ATOM 0 HA GLN A 27 19.331 12.038 1.712 1.00 0.00 H new ATOM 0 HB2 GLN A 27 18.732 13.912 0.161 1.00 0.00 H new ATOM 0 HB3 GLN A 27 18.438 12.744 -1.112 1.00 0.00 H new ATOM 0 HG2 GLN A 27 16.519 11.877 -0.059 1.00 0.00 H new ATOM 0 HG3 GLN A 27 16.976 12.498 1.515 1.00 0.00 H new ATOM 0 HE21 GLN A 27 14.857 12.899 -0.978 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.467 14.611 -0.777 1.00 0.00 H new ATOM 369 N SER A 28 17.996 9.962 0.954 1.00 0.00 N ATOM 370 CA SER A 28 17.544 8.596 0.718 1.00 0.00 C ATOM 371 C SER A 28 16.150 8.585 0.097 1.00 0.00 C ATOM 372 O SER A 28 15.553 9.637 -0.136 1.00 0.00 O ATOM 373 CB SER A 28 17.538 7.805 2.027 1.00 0.00 C ATOM 374 OG SER A 28 16.643 8.378 2.965 1.00 0.00 O ATOM 0 H SER A 28 17.467 10.464 1.667 1.00 0.00 H new ATOM 0 HA SER A 28 18.237 8.125 0.021 1.00 0.00 H new ATOM 0 HB2 SER A 28 17.251 6.772 1.830 1.00 0.00 H new ATOM 0 HB3 SER A 28 18.544 7.782 2.446 1.00 0.00 H new ATOM 0 HG SER A 28 16.656 7.853 3.793 1.00 0.00 H new ATOM 380 N LEU A 29 15.637 7.389 -0.168 1.00 0.00 N ATOM 381 CA LEU A 29 14.313 7.238 -0.762 1.00 0.00 C ATOM 382 C LEU A 29 13.221 7.516 0.265 1.00 0.00 C ATOM 383 O LEU A 29 12.309 8.305 0.020 1.00 0.00 O ATOM 384 CB LEU A 29 14.146 5.829 -1.333 1.00 0.00 C ATOM 385 CG LEU A 29 13.216 5.700 -2.540 1.00 0.00 C ATOM 386 CD1 LEU A 29 13.795 6.432 -3.741 1.00 0.00 C ATOM 387 CD2 LEU A 29 12.973 4.235 -2.872 1.00 0.00 C ATOM 0 H LEU A 29 16.118 6.509 0.019 1.00 0.00 H new ATOM 0 HA LEU A 29 14.219 7.964 -1.570 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.130 5.454 -1.616 1.00 0.00 H new ATOM 0 HB3 LEU A 29 13.773 5.179 -0.541 1.00 0.00 H new ATOM 0 HG LEU A 29 12.260 6.158 -2.288 1.00 0.00 H new ATOM 0 HD11 LEU A 29 13.119 6.329 -4.590 1.00 0.00 H new ATOM 0 HD12 LEU A 29 13.916 7.488 -3.500 1.00 0.00 H new ATOM 0 HD13 LEU A 29 14.765 6.004 -3.995 1.00 0.00 H new ATOM 0 HD21 LEU A 29 12.309 4.162 -3.733 1.00 0.00 H new ATOM 0 HD22 LEU A 29 13.922 3.752 -3.104 1.00 0.00 H new ATOM 0 HD23 LEU A 29 12.513 3.740 -2.017 1.00 0.00 H new ATOM 399 N GLY A 30 13.321 6.863 1.420 1.00 0.00 N ATOM 400 CA GLY A 30 12.336 7.055 2.468 1.00 0.00 C ATOM 401 C GLY A 30 10.986 6.466 2.111 1.00 0.00 C ATOM 402 O GLY A 30 9.951 7.100 2.314 1.00 0.00 O ATOM 0 H GLY A 30 14.066 6.205 1.648 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.696 6.597 3.389 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.223 8.121 2.665 1.00 0.00 H new ATOM 406 N ILE A 31 10.997 5.250 1.575 1.00 0.00 N ATOM 407 CA ILE A 31 9.763 4.576 1.188 1.00 0.00 C ATOM 408 C ILE A 31 9.699 3.169 1.773 1.00 0.00 C ATOM 409 O ILE A 31 10.298 2.236 1.239 1.00 0.00 O ATOM 410 CB ILE A 31 9.626 4.489 -0.344 1.00 0.00 C ATOM 411 CG1 ILE A 31 9.571 5.892 -0.953 1.00 0.00 C ATOM 412 CG2 ILE A 31 8.386 3.693 -0.720 1.00 0.00 C ATOM 413 CD1 ILE A 31 9.572 5.894 -2.466 1.00 0.00 C ATOM 0 H ILE A 31 11.845 4.712 1.399 1.00 0.00 H new ATOM 0 HA ILE A 31 8.940 5.170 1.585 1.00 0.00 H new ATOM 0 HB ILE A 31 10.499 3.974 -0.744 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.674 6.399 -0.598 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.425 6.468 -0.596 1.00 0.00 H new ATOM 0 HG21 ILE A 31 8.303 3.640 -1.806 1.00 0.00 H new ATOM 0 HG22 ILE A 31 8.463 2.685 -0.313 1.00 0.00 H new ATOM 0 HG23 ILE A 31 7.502 4.182 -0.312 1.00 0.00 H new ATOM 0 HD11 ILE A 31 9.532 6.921 -2.829 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.482 5.416 -2.830 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.703 5.346 -2.831 1.00 0.00 H new ATOM 425 N ARG A 32 8.966 3.025 2.872 1.00 0.00 N ATOM 426 CA ARG A 32 8.822 1.731 3.530 1.00 0.00 C ATOM 427 C ARG A 32 7.926 0.804 2.715 1.00 0.00 C ATOM 428 O ARG A 32 6.854 1.203 2.258 1.00 0.00 O ATOM 429 CB ARG A 32 8.245 1.911 4.935 1.00 0.00 C ATOM 430 CG ARG A 32 9.187 2.619 5.895 1.00 0.00 C ATOM 431 CD ARG A 32 10.514 1.886 6.015 1.00 0.00 C ATOM 432 NE ARG A 32 11.309 2.374 7.138 1.00 0.00 N ATOM 433 CZ ARG A 32 12.632 2.272 7.202 1.00 0.00 C ATOM 434 NH1 ARG A 32 13.304 1.702 6.211 1.00 0.00 N ATOM 435 NH2 ARG A 32 13.285 2.741 8.257 1.00 0.00 N ATOM 0 H ARG A 32 8.463 3.787 3.326 1.00 0.00 H new ATOM 0 HA ARG A 32 9.810 1.278 3.606 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.316 2.477 4.867 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.993 0.932 5.343 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.363 3.638 5.549 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.720 2.692 6.877 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.329 0.819 6.139 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.080 2.006 5.091 1.00 0.00 H new ATOM 0 HE ARG A 32 10.822 2.818 7.916 1.00 0.00 H new ATOM 0 HH11 ARG A 32 12.805 1.341 5.398 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.320 1.625 6.262 1.00 0.00 H new ATOM 0 HH21 ARG A 32 12.771 3.181 9.021 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.301 2.662 8.305 1.00 0.00 H new ATOM 449 N ILE A 33 8.372 -0.435 2.536 1.00 0.00 N ATOM 450 CA ILE A 33 7.611 -1.419 1.777 1.00 0.00 C ATOM 451 C ILE A 33 7.043 -2.499 2.691 1.00 0.00 C ATOM 452 O ILE A 33 7.489 -2.664 3.827 1.00 0.00 O ATOM 453 CB ILE A 33 8.476 -2.084 0.690 1.00 0.00 C ATOM 454 CG1 ILE A 33 9.679 -2.785 1.323 1.00 0.00 C ATOM 455 CG2 ILE A 33 8.933 -1.050 -0.329 1.00 0.00 C ATOM 456 CD1 ILE A 33 10.183 -3.964 0.520 1.00 0.00 C ATOM 0 H ILE A 33 9.257 -0.781 2.907 1.00 0.00 H new ATOM 0 HA ILE A 33 6.791 -0.883 1.299 1.00 0.00 H new ATOM 0 HB ILE A 33 7.874 -2.832 0.174 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.488 -2.064 1.442 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.406 -3.126 2.322 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.543 -1.535 -1.091 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.062 -0.592 -0.799 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.521 -0.281 0.172 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.037 -4.412 1.028 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.389 -4.704 0.423 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.487 -3.626 -0.471 1.00 0.00 H new ATOM 468 N VAL A 34 6.059 -3.236 2.187 1.00 0.00 N ATOM 469 CA VAL A 34 5.432 -4.304 2.957 1.00 0.00 C ATOM 470 C VAL A 34 5.242 -5.556 2.107 1.00 0.00 C ATOM 471 O VAL A 34 4.937 -5.471 0.918 1.00 0.00 O ATOM 472 CB VAL A 34 4.066 -3.865 3.517 1.00 0.00 C ATOM 473 CG1 VAL A 34 3.015 -3.858 2.417 1.00 0.00 C ATOM 474 CG2 VAL A 34 3.644 -4.772 4.662 1.00 0.00 C ATOM 0 H VAL A 34 5.678 -3.113 1.249 1.00 0.00 H new ATOM 0 HA VAL A 34 6.101 -4.530 3.787 1.00 0.00 H new ATOM 0 HB VAL A 34 4.160 -2.850 3.903 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.057 -3.545 2.831 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.315 -3.164 1.632 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.920 -4.860 1.998 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.677 -4.447 5.046 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.566 -5.798 4.303 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.386 -4.721 5.459 1.00 0.00 H new ATOM 484 N GLY A 35 5.424 -6.718 2.726 1.00 0.00 N ATOM 485 CA GLY A 35 5.268 -7.972 2.011 1.00 0.00 C ATOM 486 C GLY A 35 3.963 -8.669 2.342 1.00 0.00 C ATOM 487 O GLY A 35 3.788 -9.182 3.447 1.00 0.00 O ATOM 0 H GLY A 35 5.677 -6.814 3.710 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.314 -7.783 0.938 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.101 -8.632 2.255 1.00 0.00 H new ATOM 491 N TYR A 36 3.045 -8.687 1.382 1.00 0.00 N ATOM 492 CA TYR A 36 1.747 -9.323 1.578 1.00 0.00 C ATOM 493 C TYR A 36 1.696 -10.681 0.885 1.00 0.00 C ATOM 494 O TYR A 36 2.275 -10.867 -0.185 1.00 0.00 O ATOM 495 CB TYR A 36 0.630 -8.424 1.047 1.00 0.00 C ATOM 496 CG TYR A 36 -0.010 -7.560 2.110 1.00 0.00 C ATOM 497 CD1 TYR A 36 0.611 -6.400 2.556 1.00 0.00 C ATOM 498 CD2 TYR A 36 -1.234 -7.904 2.669 1.00 0.00 C ATOM 499 CE1 TYR A 36 0.031 -5.608 3.528 1.00 0.00 C ATOM 500 CE2 TYR A 36 -1.823 -7.118 3.641 1.00 0.00 C ATOM 501 CZ TYR A 36 -1.186 -5.970 4.067 1.00 0.00 C ATOM 502 OH TYR A 36 -1.768 -5.185 5.035 1.00 0.00 O ATOM 0 H TYR A 36 3.175 -8.269 0.461 1.00 0.00 H new ATOM 0 HA TYR A 36 1.603 -9.476 2.648 1.00 0.00 H new ATOM 0 HB2 TYR A 36 1.033 -7.782 0.264 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.137 -9.046 0.586 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.563 -6.113 2.136 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.734 -8.802 2.338 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.528 -4.710 3.864 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -2.776 -7.400 4.065 1.00 0.00 H new ATOM 0 HH TYR A 36 -2.622 -5.581 5.307 1.00 0.00 H new ATOM 624 N SER A 46 -2.186 -9.320 -2.655 1.00 0.00 N ATOM 625 CA SER A 46 -0.904 -10.011 -2.590 1.00 0.00 C ATOM 626 C SER A 46 0.162 -9.255 -3.377 1.00 0.00 C ATOM 627 O SER A 46 -0.041 -8.903 -4.538 1.00 0.00 O ATOM 628 CB SER A 46 -1.040 -11.435 -3.132 1.00 0.00 C ATOM 629 OG SER A 46 -1.434 -11.428 -4.493 1.00 0.00 O ATOM 0 HA SER A 46 -0.596 -10.055 -1.545 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.090 -11.959 -3.028 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.773 -11.984 -2.541 1.00 0.00 H new ATOM 0 HG SER A 46 -1.040 -10.652 -4.944 1.00 0.00 H new ATOM 635 N GLY A 47 1.300 -9.008 -2.735 1.00 0.00 N ATOM 636 CA GLY A 47 2.381 -8.295 -3.390 1.00 0.00 C ATOM 637 C GLY A 47 3.040 -7.278 -2.479 1.00 0.00 C ATOM 638 O GLY A 47 2.900 -7.347 -1.257 1.00 0.00 O ATOM 0 H GLY A 47 1.492 -9.289 -1.773 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.129 -9.010 -3.732 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.995 -7.789 -4.275 1.00 0.00 H new ATOM 642 N ILE A 48 3.762 -6.334 -3.073 1.00 0.00 N ATOM 643 CA ILE A 48 4.445 -5.299 -2.306 1.00 0.00 C ATOM 644 C ILE A 48 3.640 -4.004 -2.291 1.00 0.00 C ATOM 645 O ILE A 48 3.047 -3.618 -3.299 1.00 0.00 O ATOM 646 CB ILE A 48 5.848 -5.012 -2.874 1.00 0.00 C ATOM 647 CG1 ILE A 48 6.649 -6.310 -2.994 1.00 0.00 C ATOM 648 CG2 ILE A 48 6.580 -4.011 -1.993 1.00 0.00 C ATOM 649 CD1 ILE A 48 6.987 -6.937 -1.659 1.00 0.00 C ATOM 0 H ILE A 48 3.889 -6.264 -4.083 1.00 0.00 H new ATOM 0 HA ILE A 48 4.544 -5.674 -1.287 1.00 0.00 H new ATOM 0 HB ILE A 48 5.740 -4.581 -3.869 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.080 -7.025 -3.588 1.00 0.00 H new ATOM 0 HG13 ILE A 48 7.573 -6.109 -3.536 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.570 -3.818 -2.407 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.015 -3.080 -1.954 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.680 -4.417 -0.987 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.555 -7.853 -1.821 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.583 -6.240 -1.070 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.067 -7.170 -1.123 1.00 0.00 H new ATOM 661 N TYR A 49 3.625 -3.337 -1.143 1.00 0.00 N ATOM 662 CA TYR A 49 2.892 -2.085 -0.996 1.00 0.00 C ATOM 663 C TYR A 49 3.655 -1.109 -0.105 1.00 0.00 C ATOM 664 O TYR A 49 4.522 -1.507 0.672 1.00 0.00 O ATOM 665 CB TYR A 49 1.503 -2.348 -0.412 1.00 0.00 C ATOM 666 CG TYR A 49 0.686 -3.335 -1.214 1.00 0.00 C ATOM 667 CD1 TYR A 49 1.002 -4.688 -1.216 1.00 0.00 C ATOM 668 CD2 TYR A 49 -0.401 -2.915 -1.970 1.00 0.00 C ATOM 669 CE1 TYR A 49 0.259 -5.594 -1.947 1.00 0.00 C ATOM 670 CE2 TYR A 49 -1.151 -3.814 -2.703 1.00 0.00 C ATOM 671 CZ TYR A 49 -0.817 -5.152 -2.689 1.00 0.00 C ATOM 672 OH TYR A 49 -1.560 -6.051 -3.420 1.00 0.00 O ATOM 0 H TYR A 49 4.112 -3.642 -0.300 1.00 0.00 H new ATOM 0 HA TYR A 49 2.784 -1.638 -1.984 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.611 -2.721 0.606 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.960 -1.405 -0.350 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.843 -5.037 -0.636 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.664 -1.868 -1.985 1.00 0.00 H new ATOM 0 HE1 TYR A 49 0.519 -6.642 -1.938 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -1.994 -3.471 -3.284 1.00 0.00 H new ATOM 0 HH TYR A 49 -1.569 -6.917 -2.961 1.00 0.00 H new ATOM 682 N VAL A 50 3.324 0.173 -0.224 1.00 0.00 N ATOM 683 CA VAL A 50 3.975 1.208 0.571 1.00 0.00 C ATOM 684 C VAL A 50 3.425 1.236 1.993 1.00 0.00 C ATOM 685 O VAL A 50 2.309 1.699 2.230 1.00 0.00 O ATOM 686 CB VAL A 50 3.797 2.599 -0.065 1.00 0.00 C ATOM 687 CG1 VAL A 50 4.318 3.683 0.867 1.00 0.00 C ATOM 688 CG2 VAL A 50 4.497 2.662 -1.414 1.00 0.00 C ATOM 0 H VAL A 50 2.609 0.520 -0.863 1.00 0.00 H new ATOM 0 HA VAL A 50 5.037 0.964 0.600 1.00 0.00 H new ATOM 0 HB VAL A 50 2.733 2.772 -0.226 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.184 4.659 0.401 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.767 3.651 1.807 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.377 3.517 1.062 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.361 3.652 -1.849 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.561 2.467 -1.281 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.071 1.912 -2.080 1.00 0.00 H new ATOM 698 N LYS A 51 4.216 0.738 2.937 1.00 0.00 N ATOM 699 CA LYS A 51 3.811 0.707 4.337 1.00 0.00 C ATOM 700 C LYS A 51 3.766 2.115 4.922 1.00 0.00 C ATOM 701 O LYS A 51 2.792 2.497 5.570 1.00 0.00 O ATOM 702 CB LYS A 51 4.773 -0.163 5.149 1.00 0.00 C ATOM 703 CG LYS A 51 4.430 -0.234 6.627 1.00 0.00 C ATOM 704 CD LYS A 51 3.491 -1.390 6.927 1.00 0.00 C ATOM 705 CE LYS A 51 4.258 -2.645 7.313 1.00 0.00 C ATOM 706 NZ LYS A 51 3.346 -3.790 7.587 1.00 0.00 N ATOM 0 H LYS A 51 5.142 0.350 2.758 1.00 0.00 H new ATOM 0 HA LYS A 51 2.810 0.278 4.390 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.774 -1.172 4.736 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.785 0.228 5.038 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.345 -0.347 7.209 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.967 0.702 6.939 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.816 -1.111 7.736 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.873 -1.594 6.053 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.945 -2.912 6.510 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.863 -2.443 8.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.844 -4.683 7.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.047 -3.765 8.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.509 -3.722 6.973 1.00 0.00 H new ATOM 720 N SER A 52 4.825 2.882 4.687 1.00 0.00 N ATOM 721 CA SER A 52 4.907 4.248 5.193 1.00 0.00 C ATOM 722 C SER A 52 5.699 5.134 4.237 1.00 0.00 C ATOM 723 O SER A 52 6.360 4.645 3.321 1.00 0.00 O ATOM 724 CB SER A 52 5.557 4.263 6.578 1.00 0.00 C ATOM 725 OG SER A 52 6.945 3.987 6.493 1.00 0.00 O ATOM 0 H SER A 52 5.638 2.582 4.150 1.00 0.00 H new ATOM 0 HA SER A 52 3.894 4.642 5.271 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.404 5.236 7.044 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.075 3.524 7.218 1.00 0.00 H new ATOM 0 HG SER A 52 7.393 4.308 7.304 1.00 0.00 H new ATOM 731 N VAL A 53 5.628 6.443 4.457 1.00 0.00 N ATOM 732 CA VAL A 53 6.338 7.400 3.617 1.00 0.00 C ATOM 733 C VAL A 53 7.080 8.429 4.462 1.00 0.00 C ATOM 734 O VAL A 53 6.559 9.509 4.742 1.00 0.00 O ATOM 735 CB VAL A 53 5.376 8.133 2.664 1.00 0.00 C ATOM 736 CG1 VAL A 53 6.130 9.151 1.822 1.00 0.00 C ATOM 737 CG2 VAL A 53 4.641 7.137 1.779 1.00 0.00 C ATOM 0 H VAL A 53 5.085 6.865 5.211 1.00 0.00 H new ATOM 0 HA VAL A 53 7.057 6.831 3.028 1.00 0.00 H new ATOM 0 HB VAL A 53 4.638 8.667 3.262 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.433 9.659 1.155 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.606 9.883 2.475 1.00 0.00 H new ATOM 0 HG13 VAL A 53 6.892 8.642 1.232 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.965 7.672 1.112 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.363 6.573 1.188 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.067 6.451 2.402 1.00 0.00 H new ATOM 747 N ILE A 54 8.299 8.087 4.866 1.00 0.00 N ATOM 748 CA ILE A 54 9.114 8.982 5.679 1.00 0.00 C ATOM 749 C ILE A 54 9.128 10.392 5.097 1.00 0.00 C ATOM 750 O ILE A 54 9.347 10.595 3.902 1.00 0.00 O ATOM 751 CB ILE A 54 10.562 8.473 5.798 1.00 0.00 C ATOM 752 CG1 ILE A 54 10.589 7.102 6.477 1.00 0.00 C ATOM 753 CG2 ILE A 54 11.412 9.470 6.571 1.00 0.00 C ATOM 754 CD1 ILE A 54 10.335 5.952 5.527 1.00 0.00 C ATOM 0 H ILE A 54 8.744 7.197 4.644 1.00 0.00 H new ATOM 0 HA ILE A 54 8.664 9.005 6.671 1.00 0.00 H new ATOM 0 HB ILE A 54 10.979 8.370 4.796 1.00 0.00 H new ATOM 0 HG12 ILE A 54 11.559 6.961 6.954 1.00 0.00 H new ATOM 0 HG13 ILE A 54 9.839 7.082 7.267 1.00 0.00 H new ATOM 0 HG21 ILE A 54 12.433 9.096 6.647 1.00 0.00 H new ATOM 0 HG22 ILE A 54 11.414 10.427 6.050 1.00 0.00 H new ATOM 0 HG23 ILE A 54 10.999 9.602 7.571 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.369 5.012 6.077 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.353 6.069 5.068 1.00 0.00 H new ATOM 0 HD13 ILE A 54 11.100 5.946 4.750 1.00 0.00 H new ATOM 766 N PRO A 55 8.893 11.391 5.960 1.00 0.00 N ATOM 767 CA PRO A 55 8.876 12.799 5.555 1.00 0.00 C ATOM 768 C PRO A 55 10.264 13.313 5.188 1.00 0.00 C ATOM 769 O PRO A 55 11.273 12.691 5.515 1.00 0.00 O ATOM 770 CB PRO A 55 8.351 13.520 6.800 1.00 0.00 C ATOM 771 CG PRO A 55 8.708 12.624 7.935 1.00 0.00 C ATOM 772 CD PRO A 55 8.624 11.222 7.398 1.00 0.00 C ATOM 0 HA PRO A 55 8.268 12.960 4.664 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.810 14.502 6.912 1.00 0.00 H new ATOM 0 HB3 PRO A 55 7.274 13.676 6.742 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.711 12.841 8.303 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.024 12.763 8.772 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.356 10.567 7.869 1.00 0.00 H new ATOM 0 HD3 PRO A 55 7.642 10.782 7.574 1.00 0.00 H new ATOM 780 N GLY A 56 10.306 14.454 4.507 1.00 0.00 N ATOM 781 CA GLY A 56 11.576 15.033 4.107 1.00 0.00 C ATOM 782 C GLY A 56 12.374 14.112 3.206 1.00 0.00 C ATOM 783 O GLY A 56 13.583 14.282 3.047 1.00 0.00 O ATOM 0 H GLY A 56 9.484 14.988 4.225 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.395 15.975 3.590 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.163 15.264 4.996 1.00 0.00 H new ATOM 787 N SER A 57 11.698 13.132 2.615 1.00 0.00 N ATOM 788 CA SER A 57 12.353 12.177 1.729 1.00 0.00 C ATOM 789 C SER A 57 11.908 12.382 0.285 1.00 0.00 C ATOM 790 O SER A 57 10.875 12.997 0.023 1.00 0.00 O ATOM 791 CB SER A 57 12.045 10.745 2.172 1.00 0.00 C ATOM 792 OG SER A 57 10.872 10.258 1.544 1.00 0.00 O ATOM 0 H SER A 57 10.697 12.979 2.734 1.00 0.00 H new ATOM 0 HA SER A 57 13.429 12.344 1.786 1.00 0.00 H new ATOM 0 HB2 SER A 57 12.887 10.097 1.929 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.921 10.715 3.255 1.00 0.00 H new ATOM 0 HG SER A 57 10.127 10.281 2.180 1.00 0.00 H new ATOM 798 N ALA A 58 12.697 11.861 -0.650 1.00 0.00 N ATOM 799 CA ALA A 58 12.384 11.984 -2.068 1.00 0.00 C ATOM 800 C ALA A 58 10.913 11.685 -2.334 1.00 0.00 C ATOM 801 O ALA A 58 10.235 12.432 -3.040 1.00 0.00 O ATOM 802 CB ALA A 58 13.270 11.056 -2.887 1.00 0.00 C ATOM 0 H ALA A 58 13.557 11.350 -0.450 1.00 0.00 H new ATOM 0 HA ALA A 58 12.578 13.013 -2.369 1.00 0.00 H new ATOM 0 HB1 ALA A 58 13.025 11.158 -3.944 1.00 0.00 H new ATOM 0 HB2 ALA A 58 14.316 11.319 -2.730 1.00 0.00 H new ATOM 0 HB3 ALA A 58 13.104 10.025 -2.574 1.00 0.00 H new ATOM 808 N ALA A 59 10.424 10.588 -1.765 1.00 0.00 N ATOM 809 CA ALA A 59 9.033 10.191 -1.940 1.00 0.00 C ATOM 810 C ALA A 59 8.085 11.289 -1.468 1.00 0.00 C ATOM 811 O ALA A 59 7.264 11.787 -2.239 1.00 0.00 O ATOM 812 CB ALA A 59 8.756 8.895 -1.193 1.00 0.00 C ATOM 0 H ALA A 59 10.971 9.958 -1.178 1.00 0.00 H new ATOM 0 HA ALA A 59 8.858 10.029 -3.004 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.713 8.610 -1.333 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.402 8.107 -1.580 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.954 9.038 -0.131 1.00 0.00 H new ATOM 818 N TYR A 60 8.204 11.660 -0.199 1.00 0.00 N ATOM 819 CA TYR A 60 7.356 12.697 0.377 1.00 0.00 C ATOM 820 C TYR A 60 7.433 13.982 -0.443 1.00 0.00 C ATOM 821 O TYR A 60 6.415 14.504 -0.898 1.00 0.00 O ATOM 822 CB TYR A 60 7.766 12.977 1.823 1.00 0.00 C ATOM 823 CG TYR A 60 6.971 14.086 2.475 1.00 0.00 C ATOM 824 CD1 TYR A 60 7.394 15.408 2.399 1.00 0.00 C ATOM 825 CD2 TYR A 60 5.798 13.813 3.167 1.00 0.00 C ATOM 826 CE1 TYR A 60 6.672 16.424 2.993 1.00 0.00 C ATOM 827 CE2 TYR A 60 5.068 14.823 3.762 1.00 0.00 C ATOM 828 CZ TYR A 60 5.509 16.127 3.673 1.00 0.00 C ATOM 829 OH TYR A 60 4.786 17.136 4.266 1.00 0.00 O ATOM 0 H TYR A 60 8.880 11.258 0.451 1.00 0.00 H new ATOM 0 HA TYR A 60 6.327 12.338 0.362 1.00 0.00 H new ATOM 0 HB2 TYR A 60 7.648 12.065 2.408 1.00 0.00 H new ATOM 0 HB3 TYR A 60 8.824 13.237 1.848 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.303 15.644 1.866 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.451 12.793 3.241 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.016 17.446 2.926 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.157 14.593 4.294 1.00 0.00 H new ATOM 0 HH TYR A 60 3.994 16.758 4.703 1.00 0.00 H new ATOM 839 N HIS A 61 8.649 14.485 -0.629 1.00 0.00 N ATOM 840 CA HIS A 61 8.862 15.708 -1.395 1.00 0.00 C ATOM 841 C HIS A 61 8.146 15.637 -2.741 1.00 0.00 C ATOM 842 O HIS A 61 7.353 16.515 -3.080 1.00 0.00 O ATOM 843 CB HIS A 61 10.356 15.946 -1.612 1.00 0.00 C ATOM 844 CG HIS A 61 11.032 16.605 -0.449 1.00 0.00 C ATOM 845 ND1 HIS A 61 10.446 17.608 0.293 1.00 0.00 N ATOM 846 CD2 HIS A 61 12.252 16.396 0.100 1.00 0.00 C ATOM 847 CE1 HIS A 61 11.277 17.990 1.247 1.00 0.00 C ATOM 848 NE2 HIS A 61 12.380 17.270 1.152 1.00 0.00 N ATOM 0 H HIS A 61 9.502 14.065 -0.260 1.00 0.00 H new ATOM 0 HA HIS A 61 8.448 16.540 -0.826 1.00 0.00 H new ATOM 0 HB2 HIS A 61 10.843 14.991 -1.811 1.00 0.00 H new ATOM 0 HB3 HIS A 61 10.492 16.564 -2.499 1.00 0.00 H new ATOM 0 HD2 HIS A 61 12.987 15.676 -0.228 1.00 0.00 H new ATOM 0 HE1 HIS A 61 11.086 18.760 1.980 1.00 0.00 H new ATOM 0 HE2 HIS A 61 13.195 17.350 1.761 1.00 0.00 H new ATOM 857 N ASN A 62 8.431 14.587 -3.503 1.00 0.00 N ATOM 858 CA ASN A 62 7.816 14.402 -4.812 1.00 0.00 C ATOM 859 C ASN A 62 6.296 14.497 -4.717 1.00 0.00 C ATOM 860 O ASN A 62 5.653 15.165 -5.525 1.00 0.00 O ATOM 861 CB ASN A 62 8.218 13.049 -5.402 1.00 0.00 C ATOM 862 CG ASN A 62 8.294 13.077 -6.916 1.00 0.00 C ATOM 863 OD1 ASN A 62 7.668 12.098 -7.558 1.00 0.00 O flip ATOM 864 ND2 ASN A 62 8.907 13.970 -7.501 1.00 0.00 N flip ATOM 0 H ASN A 62 9.084 13.851 -3.237 1.00 0.00 H new ATOM 0 HA ASN A 62 8.172 15.196 -5.468 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.186 12.753 -4.998 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.498 12.292 -5.091 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.374 14.703 -6.967 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.948 13.977 -8.520 1.00 0.00 H new ATOM 871 N GLY A 63 5.728 13.822 -3.722 1.00 0.00 N ATOM 872 CA GLY A 63 4.288 13.844 -3.538 1.00 0.00 C ATOM 873 C GLY A 63 3.560 13.004 -4.569 1.00 0.00 C ATOM 874 O GLY A 63 2.463 13.356 -5.004 1.00 0.00 O ATOM 0 H GLY A 63 6.239 13.261 -3.040 1.00 0.00 H new ATOM 0 HA2 GLY A 63 4.047 13.479 -2.540 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.933 14.873 -3.595 1.00 0.00 H new ATOM 878 N HIS A 64 4.171 11.891 -4.962 1.00 0.00 N ATOM 879 CA HIS A 64 3.574 11.000 -5.950 1.00 0.00 C ATOM 880 C HIS A 64 3.366 9.605 -5.367 1.00 0.00 C ATOM 881 O HIS A 64 2.356 8.954 -5.637 1.00 0.00 O ATOM 882 CB HIS A 64 4.457 10.919 -7.195 1.00 0.00 C ATOM 883 CG HIS A 64 4.514 12.197 -7.974 1.00 0.00 C ATOM 884 ND1 HIS A 64 5.256 13.313 -7.790 1.00 0.00 N flip ATOM 885 CD2 HIS A 64 3.740 12.432 -9.091 1.00 0.00 C flip ATOM 886 CE1 HIS A 64 4.922 14.194 -8.790 1.00 0.00 C flip ATOM 887 NE2 HIS A 64 4.006 13.638 -9.562 1.00 0.00 N flip ATOM 0 H HIS A 64 5.079 11.585 -4.612 1.00 0.00 H new ATOM 0 HA HIS A 64 2.602 11.407 -6.230 1.00 0.00 H new ATOM 0 HB2 HIS A 64 5.467 10.640 -6.896 1.00 0.00 H new ATOM 0 HB3 HIS A 64 4.086 10.125 -7.843 1.00 0.00 H new ATOM 0 HD2 HIS A 64 3.028 11.739 -9.515 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.340 15.181 -8.923 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.577 14.066 -10.382 1.00 0.00 H new ATOM 896 N ILE A 65 4.327 9.154 -4.569 1.00 0.00 N ATOM 897 CA ILE A 65 4.248 7.837 -3.949 1.00 0.00 C ATOM 898 C ILE A 65 3.726 7.933 -2.519 1.00 0.00 C ATOM 899 O ILE A 65 4.301 8.630 -1.684 1.00 0.00 O ATOM 900 CB ILE A 65 5.621 7.138 -3.936 1.00 0.00 C ATOM 901 CG1 ILE A 65 6.114 6.908 -5.366 1.00 0.00 C ATOM 902 CG2 ILE A 65 5.537 5.819 -3.181 1.00 0.00 C ATOM 903 CD1 ILE A 65 7.621 6.921 -5.495 1.00 0.00 C ATOM 0 H ILE A 65 5.169 9.680 -4.336 1.00 0.00 H new ATOM 0 HA ILE A 65 3.554 7.247 -4.548 1.00 0.00 H new ATOM 0 HB ILE A 65 6.335 7.783 -3.424 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.735 5.950 -5.723 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.695 7.678 -6.014 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.515 5.337 -3.181 1.00 0.00 H new ATOM 0 HG22 ILE A 65 5.225 6.007 -2.154 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.811 5.167 -3.667 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.899 6.752 -6.535 1.00 0.00 H new ATOM 0 HD12 ILE A 65 8.006 7.887 -5.169 1.00 0.00 H new ATOM 0 HD13 ILE A 65 8.046 6.133 -4.873 1.00 0.00 H new ATOM 915 N GLN A 66 2.634 7.226 -2.245 1.00 0.00 N ATOM 916 CA GLN A 66 2.035 7.231 -0.916 1.00 0.00 C ATOM 917 C GLN A 66 1.537 5.840 -0.538 1.00 0.00 C ATOM 918 O GLN A 66 1.432 4.955 -1.387 1.00 0.00 O ATOM 919 CB GLN A 66 0.881 8.233 -0.857 1.00 0.00 C ATOM 920 CG GLN A 66 1.243 9.610 -1.389 1.00 0.00 C ATOM 921 CD GLN A 66 0.965 9.755 -2.872 1.00 0.00 C ATOM 922 OE1 GLN A 66 1.756 10.583 -3.545 1.00 0.00 O flip ATOM 923 NE2 GLN A 66 0.050 9.129 -3.408 1.00 0.00 N flip ATOM 0 H GLN A 66 2.147 6.643 -2.925 1.00 0.00 H new ATOM 0 HA GLN A 66 2.802 7.529 -0.201 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.041 7.841 -1.430 1.00 0.00 H new ATOM 0 HB3 GLN A 66 0.546 8.328 0.176 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.680 10.366 -0.842 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.299 9.802 -1.201 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.534 8.503 -2.853 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.124 9.236 -4.407 1.00 0.00 H new ATOM 932 N VAL A 67 1.231 5.654 0.742 1.00 0.00 N ATOM 933 CA VAL A 67 0.743 4.371 1.232 1.00 0.00 C ATOM 934 C VAL A 67 -0.448 3.886 0.412 1.00 0.00 C ATOM 935 O VAL A 67 -0.965 4.610 -0.437 1.00 0.00 O ATOM 936 CB VAL A 67 0.330 4.456 2.714 1.00 0.00 C ATOM 937 CG1 VAL A 67 1.533 4.786 3.585 1.00 0.00 C ATOM 938 CG2 VAL A 67 -0.773 5.487 2.901 1.00 0.00 C ATOM 0 H VAL A 67 1.313 6.376 1.458 1.00 0.00 H new ATOM 0 HA VAL A 67 1.564 3.661 1.131 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.056 3.484 3.022 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.222 4.842 4.628 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.288 4.008 3.472 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.952 5.745 3.279 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.053 5.534 3.954 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.416 6.464 2.576 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.642 5.202 2.307 1.00 0.00 H new ATOM 948 N ASN A 68 -0.877 2.655 0.673 1.00 0.00 N ATOM 949 CA ASN A 68 -2.007 2.072 -0.041 1.00 0.00 C ATOM 950 C ASN A 68 -1.729 2.010 -1.540 1.00 0.00 C ATOM 951 O ASN A 68 -2.639 2.158 -2.357 1.00 0.00 O ATOM 952 CB ASN A 68 -3.276 2.885 0.220 1.00 0.00 C ATOM 953 CG ASN A 68 -3.572 3.035 1.700 1.00 0.00 C ATOM 954 OD1 ASN A 68 -2.696 2.840 2.542 1.00 0.00 O ATOM 955 ND2 ASN A 68 -4.813 3.383 2.023 1.00 0.00 N ATOM 0 H ASN A 68 -0.459 2.042 1.373 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.152 1.056 0.326 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -3.170 3.873 -0.229 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -4.121 2.401 -0.270 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -5.072 3.499 3.003 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -5.507 3.534 1.291 1.00 0.00 H new ATOM 962 N ASP A 69 -0.468 1.791 -1.894 1.00 0.00 N ATOM 963 CA ASP A 69 -0.070 1.707 -3.295 1.00 0.00 C ATOM 964 C ASP A 69 0.631 0.383 -3.582 1.00 0.00 C ATOM 965 O ASP A 69 1.318 -0.168 -2.722 1.00 0.00 O ATOM 966 CB ASP A 69 0.850 2.875 -3.656 1.00 0.00 C ATOM 967 CG ASP A 69 0.080 4.105 -4.093 1.00 0.00 C ATOM 968 OD1 ASP A 69 -0.419 4.837 -3.212 1.00 0.00 O ATOM 969 OD2 ASP A 69 -0.023 4.337 -5.315 1.00 0.00 O ATOM 0 H ASP A 69 0.297 1.668 -1.230 1.00 0.00 H new ATOM 0 HA ASP A 69 -0.970 1.761 -3.907 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.470 3.125 -2.795 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.524 2.569 -4.456 1.00 0.00 H new ATOM 974 N LYS A 70 0.451 -0.123 -4.797 1.00 0.00 N ATOM 975 CA LYS A 70 1.065 -1.383 -5.200 1.00 0.00 C ATOM 976 C LYS A 70 2.190 -1.144 -6.203 1.00 0.00 C ATOM 977 O LYS A 70 1.965 -0.596 -7.283 1.00 0.00 O ATOM 978 CB LYS A 70 0.015 -2.315 -5.808 1.00 0.00 C ATOM 979 CG LYS A 70 0.360 -3.788 -5.678 1.00 0.00 C ATOM 980 CD LYS A 70 -0.247 -4.605 -6.806 1.00 0.00 C ATOM 981 CE LYS A 70 0.696 -4.701 -7.995 1.00 0.00 C ATOM 982 NZ LYS A 70 -0.004 -5.175 -9.221 1.00 0.00 N ATOM 0 H LYS A 70 -0.115 0.320 -5.520 1.00 0.00 H new ATOM 0 HA LYS A 70 1.487 -1.853 -4.312 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.945 -2.131 -5.325 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -0.107 -2.071 -6.863 1.00 0.00 H new ATOM 0 HG2 LYS A 70 1.443 -3.910 -5.681 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.001 -4.164 -4.721 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.483 -5.606 -6.445 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.186 -4.151 -7.121 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.141 -3.724 -8.185 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.513 -5.382 -7.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.695 -5.532 -9.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.665 -5.938 -8.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.532 -4.386 -9.646 1.00 0.00 H new ATOM 996 N ILE A 71 3.398 -1.559 -5.840 1.00 0.00 N ATOM 997 CA ILE A 71 4.556 -1.392 -6.709 1.00 0.00 C ATOM 998 C ILE A 71 4.768 -2.622 -7.585 1.00 0.00 C ATOM 999 O ILE A 71 4.896 -3.739 -7.084 1.00 0.00 O ATOM 1000 CB ILE A 71 5.837 -1.127 -5.896 1.00 0.00 C ATOM 1001 CG1 ILE A 71 5.667 0.119 -5.025 1.00 0.00 C ATOM 1002 CG2 ILE A 71 7.032 -0.971 -6.825 1.00 0.00 C ATOM 1003 CD1 ILE A 71 4.834 -0.119 -3.785 1.00 0.00 C ATOM 0 H ILE A 71 3.601 -2.014 -4.950 1.00 0.00 H new ATOM 0 HA ILE A 71 4.353 -0.529 -7.343 1.00 0.00 H new ATOM 0 HB ILE A 71 6.018 -1.981 -5.244 1.00 0.00 H new ATOM 0 HG12 ILE A 71 6.651 0.481 -4.728 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.203 0.907 -5.619 1.00 0.00 H new ATOM 0 HG21 ILE A 71 7.929 -0.784 -6.235 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.163 -1.884 -7.406 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.861 -0.133 -7.500 1.00 0.00 H new ATOM 0 HD11 ILE A 71 4.756 0.807 -3.216 1.00 0.00 H new ATOM 0 HD12 ILE A 71 3.837 -0.452 -4.075 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.308 -0.884 -3.170 1.00 0.00 H new ATOM 1015 N VAL A 72 4.806 -2.408 -8.896 1.00 0.00 N ATOM 1016 CA VAL A 72 5.006 -3.499 -9.843 1.00 0.00 C ATOM 1017 C VAL A 72 6.421 -3.483 -10.409 1.00 0.00 C ATOM 1018 O VAL A 72 6.921 -4.501 -10.887 1.00 0.00 O ATOM 1019 CB VAL A 72 3.999 -3.424 -11.006 1.00 0.00 C ATOM 1020 CG1 VAL A 72 2.609 -3.829 -10.536 1.00 0.00 C ATOM 1021 CG2 VAL A 72 3.982 -2.027 -11.607 1.00 0.00 C ATOM 0 H VAL A 72 4.701 -1.489 -9.327 1.00 0.00 H new ATOM 0 HA VAL A 72 4.848 -4.427 -9.294 1.00 0.00 H new ATOM 0 HB VAL A 72 4.312 -4.124 -11.781 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.911 -3.770 -11.371 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.636 -4.851 -10.157 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.283 -3.157 -9.742 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.265 -1.992 -12.427 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.694 -1.306 -10.842 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.975 -1.780 -11.983 1.00 0.00 H new ATOM 1031 N ALA A 73 7.063 -2.321 -10.351 1.00 0.00 N ATOM 1032 CA ALA A 73 8.422 -2.172 -10.856 1.00 0.00 C ATOM 1033 C ALA A 73 9.127 -0.993 -10.195 1.00 0.00 C ATOM 1034 O ALA A 73 8.521 0.052 -9.957 1.00 0.00 O ATOM 1035 CB ALA A 73 8.408 -2.002 -12.368 1.00 0.00 C ATOM 0 H ALA A 73 6.663 -1.468 -9.959 1.00 0.00 H new ATOM 0 HA ALA A 73 8.976 -3.077 -10.609 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.430 -1.892 -12.731 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.952 -2.878 -12.828 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.832 -1.114 -12.629 1.00 0.00 H new ATOM 1041 N VAL A 74 10.412 -1.167 -9.901 1.00 0.00 N ATOM 1042 CA VAL A 74 11.200 -0.116 -9.268 1.00 0.00 C ATOM 1043 C VAL A 74 12.438 0.215 -10.093 1.00 0.00 C ATOM 1044 O VAL A 74 13.249 -0.661 -10.394 1.00 0.00 O ATOM 1045 CB VAL A 74 11.637 -0.521 -7.847 1.00 0.00 C ATOM 1046 CG1 VAL A 74 12.488 0.572 -7.219 1.00 0.00 C ATOM 1047 CG2 VAL A 74 10.422 -0.825 -6.984 1.00 0.00 C ATOM 0 H VAL A 74 10.929 -2.025 -10.091 1.00 0.00 H new ATOM 0 HA VAL A 74 10.561 0.765 -9.207 1.00 0.00 H new ATOM 0 HB VAL A 74 12.242 -1.425 -7.914 1.00 0.00 H new ATOM 0 HG11 VAL A 74 12.787 0.269 -6.216 1.00 0.00 H new ATOM 0 HG12 VAL A 74 13.376 0.737 -7.829 1.00 0.00 H new ATOM 0 HG13 VAL A 74 11.911 1.495 -7.162 1.00 0.00 H new ATOM 0 HG21 VAL A 74 10.748 -1.109 -5.984 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.789 0.060 -6.921 1.00 0.00 H new ATOM 0 HG23 VAL A 74 9.856 -1.644 -7.428 1.00 0.00 H new ATOM 1057 N ASP A 75 12.578 1.485 -10.457 1.00 0.00 N ATOM 1058 CA ASP A 75 13.719 1.934 -11.247 1.00 0.00 C ATOM 1059 C ASP A 75 13.732 1.257 -12.614 1.00 0.00 C ATOM 1060 O ASP A 75 14.793 1.035 -13.197 1.00 0.00 O ATOM 1061 CB ASP A 75 15.025 1.642 -10.506 1.00 0.00 C ATOM 1062 CG ASP A 75 16.114 2.643 -10.838 1.00 0.00 C ATOM 1063 OD1 ASP A 75 16.815 2.444 -11.852 1.00 0.00 O ATOM 1064 OD2 ASP A 75 16.264 3.627 -10.083 1.00 0.00 O ATOM 0 H ASP A 75 11.915 2.222 -10.217 1.00 0.00 H new ATOM 0 HA ASP A 75 13.628 3.010 -11.395 1.00 0.00 H new ATOM 0 HB2 ASP A 75 14.840 1.653 -9.432 1.00 0.00 H new ATOM 0 HB3 ASP A 75 15.367 0.639 -10.760 1.00 0.00 H new ATOM 1069 N GLY A 76 12.547 0.931 -13.119 1.00 0.00 N ATOM 1070 CA GLY A 76 12.445 0.282 -14.413 1.00 0.00 C ATOM 1071 C GLY A 76 12.717 -1.208 -14.338 1.00 0.00 C ATOM 1072 O GLY A 76 13.048 -1.837 -15.342 1.00 0.00 O ATOM 0 H GLY A 76 11.655 1.105 -12.655 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.447 0.446 -14.821 1.00 0.00 H new ATOM 0 HA3 GLY A 76 13.151 0.743 -15.104 1.00 0.00 H new ATOM 1076 N VAL A 77 12.578 -1.773 -13.143 1.00 0.00 N ATOM 1077 CA VAL A 77 12.812 -3.198 -12.940 1.00 0.00 C ATOM 1078 C VAL A 77 11.560 -3.890 -12.413 1.00 0.00 C ATOM 1079 O VAL A 77 11.036 -3.531 -11.360 1.00 0.00 O ATOM 1080 CB VAL A 77 13.972 -3.442 -11.956 1.00 0.00 C ATOM 1081 CG1 VAL A 77 14.114 -4.926 -11.656 1.00 0.00 C ATOM 1082 CG2 VAL A 77 15.269 -2.875 -12.513 1.00 0.00 C ATOM 0 H VAL A 77 12.305 -1.266 -12.301 1.00 0.00 H new ATOM 0 HA VAL A 77 13.075 -3.617 -13.911 1.00 0.00 H new ATOM 0 HB VAL A 77 13.749 -2.927 -11.021 1.00 0.00 H new ATOM 0 HG11 VAL A 77 14.938 -5.079 -10.959 1.00 0.00 H new ATOM 0 HG12 VAL A 77 13.190 -5.298 -11.213 1.00 0.00 H new ATOM 0 HG13 VAL A 77 14.315 -5.467 -12.581 1.00 0.00 H new ATOM 0 HG21 VAL A 77 16.078 -3.056 -11.806 1.00 0.00 H new ATOM 0 HG22 VAL A 77 15.501 -3.360 -13.461 1.00 0.00 H new ATOM 0 HG23 VAL A 77 15.159 -1.802 -12.672 1.00 0.00 H new ATOM 1092 N ASN A 78 11.085 -4.886 -13.154 1.00 0.00 N ATOM 1093 CA ASN A 78 9.894 -5.630 -12.762 1.00 0.00 C ATOM 1094 C ASN A 78 10.142 -6.419 -11.481 1.00 0.00 C ATOM 1095 O ASN A 78 10.642 -7.544 -11.519 1.00 0.00 O ATOM 1096 CB ASN A 78 9.467 -6.579 -13.884 1.00 0.00 C ATOM 1097 CG ASN A 78 8.308 -7.470 -13.479 1.00 0.00 C ATOM 1098 OD1 ASN A 78 7.199 -6.993 -13.242 1.00 0.00 O ATOM 1099 ND2 ASN A 78 8.562 -8.771 -13.399 1.00 0.00 N ATOM 0 H ASN A 78 11.507 -5.196 -14.029 1.00 0.00 H new ATOM 0 HA ASN A 78 9.094 -4.913 -12.577 1.00 0.00 H new ATOM 0 HB2 ASN A 78 9.185 -5.996 -14.761 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.315 -7.200 -14.173 1.00 0.00 H new ATOM 0 HD21 ASN A 78 7.822 -9.420 -13.132 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.497 -9.122 -13.605 1.00 0.00 H new ATOM 1106 N ILE A 79 9.790 -5.823 -10.347 1.00 0.00 N ATOM 1107 CA ILE A 79 9.973 -6.470 -9.054 1.00 0.00 C ATOM 1108 C ILE A 79 8.743 -7.285 -8.668 1.00 0.00 C ATOM 1109 O ILE A 79 8.560 -7.636 -7.503 1.00 0.00 O ATOM 1110 CB ILE A 79 10.262 -5.441 -7.945 1.00 0.00 C ATOM 1111 CG1 ILE A 79 9.030 -4.569 -7.695 1.00 0.00 C ATOM 1112 CG2 ILE A 79 11.459 -4.581 -8.319 1.00 0.00 C ATOM 1113 CD1 ILE A 79 8.914 -4.081 -6.268 1.00 0.00 C ATOM 0 H ILE A 79 9.376 -4.892 -10.298 1.00 0.00 H new ATOM 0 HA ILE A 79 10.831 -7.135 -9.153 1.00 0.00 H new ATOM 0 HB ILE A 79 10.498 -5.977 -7.025 1.00 0.00 H new ATOM 0 HG12 ILE A 79 9.063 -3.708 -8.363 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.135 -5.137 -7.950 1.00 0.00 H new ATOM 0 HG21 ILE A 79 11.650 -3.859 -7.525 1.00 0.00 H new ATOM 0 HG22 ILE A 79 12.335 -5.215 -8.452 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.250 -4.051 -9.249 1.00 0.00 H new ATOM 0 HD11 ILE A 79 8.018 -3.469 -6.164 1.00 0.00 H new ATOM 0 HD12 ILE A 79 8.849 -4.936 -5.595 1.00 0.00 H new ATOM 0 HD13 ILE A 79 9.791 -3.485 -6.015 1.00 0.00 H new ATOM 1125 N GLN A 80 7.904 -7.584 -9.655 1.00 0.00 N ATOM 1126 CA GLN A 80 6.692 -8.359 -9.419 1.00 0.00 C ATOM 1127 C GLN A 80 7.028 -9.735 -8.852 1.00 0.00 C ATOM 1128 O GLN A 80 7.241 -10.689 -9.598 1.00 0.00 O ATOM 1129 CB GLN A 80 5.896 -8.509 -10.716 1.00 0.00 C ATOM 1130 CG GLN A 80 5.090 -7.273 -11.082 1.00 0.00 C ATOM 1131 CD GLN A 80 3.701 -7.282 -10.477 1.00 0.00 C ATOM 1132 OE1 GLN A 80 3.591 -6.815 -9.239 1.00 0.00 O flip ATOM 1133 NE2 GLN A 80 2.736 -7.705 -11.115 1.00 0.00 N flip ATOM 0 H GLN A 80 8.042 -7.301 -10.625 1.00 0.00 H new ATOM 0 HA GLN A 80 6.085 -7.824 -8.689 1.00 0.00 H new ATOM 0 HB2 GLN A 80 6.584 -8.738 -11.530 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.220 -9.359 -10.621 1.00 0.00 H new ATOM 0 HG2 GLN A 80 5.623 -6.384 -10.746 1.00 0.00 H new ATOM 0 HG3 GLN A 80 5.009 -7.205 -12.167 1.00 0.00 H new ATOM 0 HE21 GLN A 80 2.866 -8.055 -12.064 1.00 0.00 H new ATOM 0 HE22 GLN A 80 1.807 -7.705 -10.694 1.00 0.00 H new ATOM 1142 N GLY A 81 7.073 -9.828 -7.526 1.00 0.00 N ATOM 1143 CA GLY A 81 7.384 -11.091 -6.882 1.00 0.00 C ATOM 1144 C GLY A 81 8.621 -11.008 -6.010 1.00 0.00 C ATOM 1145 O GLY A 81 8.861 -11.881 -5.176 1.00 0.00 O ATOM 0 H GLY A 81 6.900 -9.052 -6.887 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.535 -11.404 -6.274 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.531 -11.857 -7.643 1.00 0.00 H new ATOM 1149 N PHE A 82 9.409 -9.956 -6.203 1.00 0.00 N ATOM 1150 CA PHE A 82 10.631 -9.764 -5.430 1.00 0.00 C ATOM 1151 C PHE A 82 10.340 -9.813 -3.933 1.00 0.00 C ATOM 1152 O PHE A 82 9.397 -9.185 -3.452 1.00 0.00 O ATOM 1153 CB PHE A 82 11.283 -8.427 -5.790 1.00 0.00 C ATOM 1154 CG PHE A 82 12.251 -8.522 -6.935 1.00 0.00 C ATOM 1155 CD1 PHE A 82 11.893 -9.160 -8.111 1.00 0.00 C ATOM 1156 CD2 PHE A 82 13.519 -7.973 -6.833 1.00 0.00 C ATOM 1157 CE1 PHE A 82 12.782 -9.249 -9.166 1.00 0.00 C ATOM 1158 CE2 PHE A 82 14.412 -8.059 -7.885 1.00 0.00 C ATOM 1159 CZ PHE A 82 14.043 -8.698 -9.052 1.00 0.00 C ATOM 0 H PHE A 82 9.224 -9.223 -6.888 1.00 0.00 H new ATOM 0 HA PHE A 82 11.318 -10.574 -5.676 1.00 0.00 H new ATOM 0 HB2 PHE A 82 10.504 -7.708 -6.042 1.00 0.00 H new ATOM 0 HB3 PHE A 82 11.804 -8.039 -4.915 1.00 0.00 H new ATOM 0 HD1 PHE A 82 10.908 -9.593 -8.205 1.00 0.00 H new ATOM 0 HD2 PHE A 82 13.813 -7.473 -5.922 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.491 -9.749 -10.078 1.00 0.00 H new ATOM 0 HE2 PHE A 82 15.397 -7.627 -7.794 1.00 0.00 H new ATOM 0 HZ PHE A 82 14.740 -8.767 -9.874 1.00 0.00 H new ATOM 1169 N ALA A 83 11.156 -10.565 -3.202 1.00 0.00 N ATOM 1170 CA ALA A 83 10.988 -10.696 -1.760 1.00 0.00 C ATOM 1171 C ALA A 83 11.260 -9.372 -1.053 1.00 0.00 C ATOM 1172 O ALA A 83 11.917 -8.489 -1.601 1.00 0.00 O ATOM 1173 CB ALA A 83 11.904 -11.783 -1.218 1.00 0.00 C ATOM 0 H ALA A 83 11.940 -11.093 -3.585 1.00 0.00 H new ATOM 0 HA ALA A 83 9.953 -10.977 -1.564 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.768 -11.870 -0.140 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.660 -12.734 -1.692 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.941 -11.526 -1.433 1.00 0.00 H new ATOM 1179 N ASN A 84 10.748 -9.242 0.167 1.00 0.00 N ATOM 1180 CA ASN A 84 10.935 -8.025 0.948 1.00 0.00 C ATOM 1181 C ASN A 84 12.350 -7.480 0.776 1.00 0.00 C ATOM 1182 O ASN A 84 12.539 -6.318 0.415 1.00 0.00 O ATOM 1183 CB ASN A 84 10.658 -8.297 2.428 1.00 0.00 C ATOM 1184 CG ASN A 84 10.728 -7.037 3.270 1.00 0.00 C ATOM 1185 OD1 ASN A 84 11.715 -6.796 3.965 1.00 0.00 O ATOM 1186 ND2 ASN A 84 9.677 -6.228 3.211 1.00 0.00 N ATOM 0 H ASN A 84 10.201 -9.964 0.636 1.00 0.00 H new ATOM 0 HA ASN A 84 10.230 -7.277 0.584 1.00 0.00 H new ATOM 0 HB2 ASN A 84 9.671 -8.747 2.533 1.00 0.00 H new ATOM 0 HB3 ASN A 84 11.380 -9.022 2.803 1.00 0.00 H new ATOM 0 HD21 ASN A 84 9.666 -5.366 3.756 1.00 0.00 H new ATOM 0 HD22 ASN A 84 8.881 -6.469 2.621 1.00 0.00 H new ATOM 1193 N HIS A 85 13.340 -8.327 1.037 1.00 0.00 N ATOM 1194 CA HIS A 85 14.738 -7.931 0.909 1.00 0.00 C ATOM 1195 C HIS A 85 15.105 -7.694 -0.553 1.00 0.00 C ATOM 1196 O HIS A 85 15.753 -6.702 -0.887 1.00 0.00 O ATOM 1197 CB HIS A 85 15.650 -9.001 1.509 1.00 0.00 C ATOM 1198 CG HIS A 85 15.308 -10.393 1.073 1.00 0.00 C ATOM 1199 ND1 HIS A 85 14.326 -11.150 1.676 1.00 0.00 N ATOM 1200 CD2 HIS A 85 15.822 -11.163 0.086 1.00 0.00 C ATOM 1201 CE1 HIS A 85 14.252 -12.326 1.080 1.00 0.00 C ATOM 1202 NE2 HIS A 85 15.149 -12.360 0.111 1.00 0.00 N ATOM 0 H HIS A 85 13.201 -9.291 1.338 1.00 0.00 H new ATOM 0 HA HIS A 85 14.877 -6.998 1.455 1.00 0.00 H new ATOM 0 HB2 HIS A 85 16.682 -8.785 1.231 1.00 0.00 H new ATOM 0 HB3 HIS A 85 15.595 -8.946 2.596 1.00 0.00 H new ATOM 0 HD2 HIS A 85 16.614 -10.888 -0.595 1.00 0.00 H new ATOM 0 HE1 HIS A 85 13.573 -13.125 1.341 1.00 0.00 H new ATOM 0 HE2 HIS A 85 15.315 -13.147 -0.516 1.00 0.00 H new ATOM 1211 N ASP A 86 14.687 -8.611 -1.418 1.00 0.00 N ATOM 1212 CA ASP A 86 14.971 -8.502 -2.844 1.00 0.00 C ATOM 1213 C ASP A 86 14.612 -7.114 -3.365 1.00 0.00 C ATOM 1214 O ASP A 86 15.262 -6.592 -4.271 1.00 0.00 O ATOM 1215 CB ASP A 86 14.199 -9.568 -3.623 1.00 0.00 C ATOM 1216 CG ASP A 86 14.934 -10.893 -3.677 1.00 0.00 C ATOM 1217 OD1 ASP A 86 15.660 -11.209 -2.710 1.00 0.00 O ATOM 1218 OD2 ASP A 86 14.784 -11.614 -4.685 1.00 0.00 O ATOM 0 H ASP A 86 14.150 -9.438 -1.157 1.00 0.00 H new ATOM 0 HA ASP A 86 16.040 -8.660 -2.989 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.223 -9.716 -3.161 1.00 0.00 H new ATOM 0 HB3 ASP A 86 14.020 -9.214 -4.638 1.00 0.00 H new ATOM 1223 N VAL A 87 13.572 -6.521 -2.788 1.00 0.00 N ATOM 1224 CA VAL A 87 13.126 -5.194 -3.193 1.00 0.00 C ATOM 1225 C VAL A 87 13.979 -4.107 -2.548 1.00 0.00 C ATOM 1226 O VAL A 87 14.311 -3.105 -3.182 1.00 0.00 O ATOM 1227 CB VAL A 87 11.650 -4.960 -2.823 1.00 0.00 C ATOM 1228 CG1 VAL A 87 11.230 -3.540 -3.172 1.00 0.00 C ATOM 1229 CG2 VAL A 87 10.758 -5.976 -3.522 1.00 0.00 C ATOM 0 H VAL A 87 13.022 -6.939 -2.038 1.00 0.00 H new ATOM 0 HA VAL A 87 13.233 -5.141 -4.276 1.00 0.00 H new ATOM 0 HB VAL A 87 11.538 -5.092 -1.747 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.184 -3.394 -2.903 1.00 0.00 H new ATOM 0 HG12 VAL A 87 11.849 -2.832 -2.621 1.00 0.00 H new ATOM 0 HG13 VAL A 87 11.356 -3.376 -4.242 1.00 0.00 H new ATOM 0 HG21 VAL A 87 9.718 -5.796 -3.249 1.00 0.00 H new ATOM 0 HG22 VAL A 87 10.872 -5.878 -4.602 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.044 -6.982 -3.217 1.00 0.00 H new ATOM 1239 N VAL A 88 14.331 -4.311 -1.283 1.00 0.00 N ATOM 1240 CA VAL A 88 15.147 -3.350 -0.551 1.00 0.00 C ATOM 1241 C VAL A 88 16.460 -3.079 -1.276 1.00 0.00 C ATOM 1242 O VAL A 88 16.837 -1.927 -1.490 1.00 0.00 O ATOM 1243 CB VAL A 88 15.453 -3.843 0.875 1.00 0.00 C ATOM 1244 CG1 VAL A 88 16.375 -2.868 1.592 1.00 0.00 C ATOM 1245 CG2 VAL A 88 14.164 -4.044 1.657 1.00 0.00 C ATOM 0 H VAL A 88 14.064 -5.134 -0.743 1.00 0.00 H new ATOM 0 HA VAL A 88 14.571 -2.427 -0.492 1.00 0.00 H new ATOM 0 HB VAL A 88 15.963 -4.804 0.806 1.00 0.00 H new ATOM 0 HG11 VAL A 88 16.580 -3.234 2.598 1.00 0.00 H new ATOM 0 HG12 VAL A 88 17.311 -2.780 1.041 1.00 0.00 H new ATOM 0 HG13 VAL A 88 15.896 -1.891 1.652 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.399 -4.393 2.663 1.00 0.00 H new ATOM 0 HG22 VAL A 88 13.624 -3.099 1.717 1.00 0.00 H new ATOM 0 HG23 VAL A 88 13.544 -4.785 1.152 1.00 0.00 H new ATOM 1255 N GLU A 89 17.154 -4.149 -1.653 1.00 0.00 N ATOM 1256 CA GLU A 89 18.426 -4.026 -2.354 1.00 0.00 C ATOM 1257 C GLU A 89 18.252 -3.271 -3.669 1.00 0.00 C ATOM 1258 O GLU A 89 19.113 -2.485 -4.065 1.00 0.00 O ATOM 1259 CB GLU A 89 19.021 -5.410 -2.623 1.00 0.00 C ATOM 1260 CG GLU A 89 18.202 -6.247 -3.592 1.00 0.00 C ATOM 1261 CD GLU A 89 18.908 -7.526 -3.998 1.00 0.00 C ATOM 1262 OE1 GLU A 89 20.119 -7.467 -4.298 1.00 0.00 O ATOM 1263 OE2 GLU A 89 18.249 -8.587 -4.016 1.00 0.00 O ATOM 0 H GLU A 89 16.856 -5.110 -1.484 1.00 0.00 H new ATOM 0 HA GLU A 89 19.109 -3.462 -1.719 1.00 0.00 H new ATOM 0 HB2 GLU A 89 20.029 -5.292 -3.020 1.00 0.00 H new ATOM 0 HB3 GLU A 89 19.112 -5.947 -1.679 1.00 0.00 H new ATOM 0 HG2 GLU A 89 17.245 -6.495 -3.133 1.00 0.00 H new ATOM 0 HG3 GLU A 89 17.986 -5.657 -4.483 1.00 0.00 H new ATOM 1270 N VAL A 90 17.132 -3.516 -4.341 1.00 0.00 N ATOM 1271 CA VAL A 90 16.843 -2.860 -5.611 1.00 0.00 C ATOM 1272 C VAL A 90 16.842 -1.343 -5.458 1.00 0.00 C ATOM 1273 O VAL A 90 17.419 -0.624 -6.275 1.00 0.00 O ATOM 1274 CB VAL A 90 15.484 -3.309 -6.179 1.00 0.00 C ATOM 1275 CG1 VAL A 90 15.183 -2.583 -7.482 1.00 0.00 C ATOM 1276 CG2 VAL A 90 15.464 -4.816 -6.382 1.00 0.00 C ATOM 0 H VAL A 90 16.410 -4.164 -4.027 1.00 0.00 H new ATOM 0 HA VAL A 90 17.632 -3.152 -6.304 1.00 0.00 H new ATOM 0 HB VAL A 90 14.706 -3.052 -5.460 1.00 0.00 H new ATOM 0 HG11 VAL A 90 14.219 -2.913 -7.868 1.00 0.00 H new ATOM 0 HG12 VAL A 90 15.153 -1.509 -7.301 1.00 0.00 H new ATOM 0 HG13 VAL A 90 15.962 -2.806 -8.211 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.496 -5.116 -6.784 1.00 0.00 H new ATOM 0 HG22 VAL A 90 16.251 -5.099 -7.081 1.00 0.00 H new ATOM 0 HG23 VAL A 90 15.630 -5.314 -5.427 1.00 0.00 H new ATOM 1286 N LEU A 91 16.189 -0.861 -4.406 1.00 0.00 N ATOM 1287 CA LEU A 91 16.112 0.572 -4.143 1.00 0.00 C ATOM 1288 C LEU A 91 17.497 1.151 -3.871 1.00 0.00 C ATOM 1289 O LEU A 91 17.866 2.189 -4.422 1.00 0.00 O ATOM 1290 CB LEU A 91 15.190 0.844 -2.953 1.00 0.00 C ATOM 1291 CG LEU A 91 13.815 0.177 -3.003 1.00 0.00 C ATOM 1292 CD1 LEU A 91 13.190 0.137 -1.617 1.00 0.00 C ATOM 1293 CD2 LEU A 91 12.904 0.906 -3.980 1.00 0.00 C ATOM 0 H LEU A 91 15.705 -1.442 -3.721 1.00 0.00 H new ATOM 0 HA LEU A 91 15.703 1.057 -5.029 1.00 0.00 H new ATOM 0 HB2 LEU A 91 15.697 0.518 -2.045 1.00 0.00 H new ATOM 0 HB3 LEU A 91 15.046 1.921 -2.869 1.00 0.00 H new ATOM 0 HG LEU A 91 13.942 -0.848 -3.351 1.00 0.00 H new ATOM 0 HD11 LEU A 91 12.212 -0.341 -1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 91 13.833 -0.430 -0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 91 13.076 1.153 -1.240 1.00 0.00 H new ATOM 0 HD21 LEU A 91 11.930 0.418 -4.003 1.00 0.00 H new ATOM 0 HD22 LEU A 91 12.783 1.942 -3.662 1.00 0.00 H new ATOM 0 HD23 LEU A 91 13.345 0.882 -4.976 1.00 0.00 H new ATOM 1305 N ARG A 92 18.260 0.472 -3.021 1.00 0.00 N ATOM 1306 CA ARG A 92 19.604 0.918 -2.677 1.00 0.00 C ATOM 1307 C ARG A 92 20.498 0.957 -3.913 1.00 0.00 C ATOM 1308 O ARG A 92 21.288 1.882 -4.092 1.00 0.00 O ATOM 1309 CB ARG A 92 20.216 -0.004 -1.621 1.00 0.00 C ATOM 1310 CG ARG A 92 19.379 -0.123 -0.358 1.00 0.00 C ATOM 1311 CD ARG A 92 20.122 -0.878 0.734 1.00 0.00 C ATOM 1312 NE ARG A 92 21.328 -0.174 1.162 1.00 0.00 N ATOM 1313 CZ ARG A 92 21.932 -0.391 2.325 1.00 0.00 C ATOM 1314 NH1 ARG A 92 21.444 -1.288 3.171 1.00 0.00 N ATOM 1315 NH2 ARG A 92 23.025 0.289 2.644 1.00 0.00 N ATOM 0 H ARG A 92 17.970 -0.389 -2.558 1.00 0.00 H new ATOM 0 HA ARG A 92 19.531 1.927 -2.271 1.00 0.00 H new ATOM 0 HB2 ARG A 92 20.352 -0.996 -2.052 1.00 0.00 H new ATOM 0 HB3 ARG A 92 21.206 0.367 -1.357 1.00 0.00 H new ATOM 0 HG2 ARG A 92 19.116 0.872 0.001 1.00 0.00 H new ATOM 0 HG3 ARG A 92 18.445 -0.637 -0.586 1.00 0.00 H new ATOM 0 HD2 ARG A 92 19.462 -1.020 1.590 1.00 0.00 H new ATOM 0 HD3 ARG A 92 20.391 -1.870 0.371 1.00 0.00 H new ATOM 0 HE ARG A 92 21.728 0.522 0.533 1.00 0.00 H new ATOM 0 HH11 ARG A 92 20.603 -1.813 2.929 1.00 0.00 H new ATOM 0 HH12 ARG A 92 21.909 -1.453 4.064 1.00 0.00 H new ATOM 0 HH21 ARG A 92 23.403 0.980 1.996 1.00 0.00 H new ATOM 0 HH22 ARG A 92 23.487 0.121 3.537 1.00 0.00 H new ATOM 1329 N ASN A 93 20.366 -0.056 -4.764 1.00 0.00 N ATOM 1330 CA ASN A 93 21.162 -0.139 -5.983 1.00 0.00 C ATOM 1331 C ASN A 93 20.869 1.041 -6.905 1.00 0.00 C ATOM 1332 O ASN A 93 21.770 1.576 -7.550 1.00 0.00 O ATOM 1333 CB ASN A 93 20.879 -1.454 -6.713 1.00 0.00 C ATOM 1334 CG ASN A 93 21.708 -2.604 -6.175 1.00 0.00 C ATOM 1335 OD1 ASN A 93 22.931 -2.621 -6.315 1.00 0.00 O ATOM 1336 ND2 ASN A 93 21.044 -3.573 -5.556 1.00 0.00 N ATOM 0 H ASN A 93 19.715 -0.830 -4.632 1.00 0.00 H new ATOM 0 HA ASN A 93 22.215 -0.106 -5.703 1.00 0.00 H new ATOM 0 HB2 ASN A 93 19.821 -1.698 -6.620 1.00 0.00 H new ATOM 0 HB3 ASN A 93 21.084 -1.328 -7.776 1.00 0.00 H new ATOM 0 HD21 ASN A 93 21.548 -4.373 -5.174 1.00 0.00 H new ATOM 0 HD22 ASN A 93 20.030 -3.517 -5.463 1.00 0.00 H new ATOM 1343 N ALA A 94 19.603 1.441 -6.961 1.00 0.00 N ATOM 1344 CA ALA A 94 19.192 2.559 -7.801 1.00 0.00 C ATOM 1345 C ALA A 94 19.973 3.822 -7.455 1.00 0.00 C ATOM 1346 O ALA A 94 20.425 3.994 -6.323 1.00 0.00 O ATOM 1347 CB ALA A 94 17.697 2.805 -7.658 1.00 0.00 C ATOM 0 H ALA A 94 18.844 1.007 -6.435 1.00 0.00 H new ATOM 0 HA ALA A 94 19.409 2.301 -8.838 1.00 0.00 H new ATOM 0 HB1 ALA A 94 17.404 3.643 -8.291 1.00 0.00 H new ATOM 0 HB2 ALA A 94 17.151 1.912 -7.962 1.00 0.00 H new ATOM 0 HB3 ALA A 94 17.464 3.037 -6.619 1.00 0.00 H new ATOM 1353 N GLY A 95 20.128 4.705 -8.437 1.00 0.00 N ATOM 1354 CA GLY A 95 20.856 5.941 -8.216 1.00 0.00 C ATOM 1355 C GLY A 95 19.935 7.129 -8.025 1.00 0.00 C ATOM 1356 O GLY A 95 18.816 6.982 -7.534 1.00 0.00 O ATOM 0 H GLY A 95 19.762 4.586 -9.382 1.00 0.00 H new ATOM 0 HA2 GLY A 95 21.492 5.833 -7.337 1.00 0.00 H new ATOM 0 HA3 GLY A 95 21.514 6.128 -9.064 1.00 0.00 H new ATOM 1360 N GLN A 96 20.407 8.310 -8.412 1.00 0.00 N ATOM 1361 CA GLN A 96 19.618 9.529 -8.278 1.00 0.00 C ATOM 1362 C GLN A 96 18.256 9.373 -8.948 1.00 0.00 C ATOM 1363 O GLN A 96 17.217 9.494 -8.300 1.00 0.00 O ATOM 1364 CB GLN A 96 20.366 10.716 -8.887 1.00 0.00 C ATOM 1365 CG GLN A 96 19.973 12.056 -8.287 1.00 0.00 C ATOM 1366 CD GLN A 96 21.075 13.090 -8.397 1.00 0.00 C ATOM 1367 OE1 GLN A 96 21.731 13.208 -9.432 1.00 0.00 O ATOM 1368 NE2 GLN A 96 21.286 13.848 -7.326 1.00 0.00 N ATOM 0 H GLN A 96 21.331 8.448 -8.821 1.00 0.00 H new ATOM 0 HA GLN A 96 19.461 9.714 -7.215 1.00 0.00 H new ATOM 0 HB2 GLN A 96 21.437 10.567 -8.752 1.00 0.00 H new ATOM 0 HB3 GLN A 96 20.180 10.740 -9.961 1.00 0.00 H new ATOM 0 HG2 GLN A 96 19.080 12.427 -8.790 1.00 0.00 H new ATOM 0 HG3 GLN A 96 19.713 11.918 -7.237 1.00 0.00 H new ATOM 0 HE21 GLN A 96 20.719 13.717 -6.488 1.00 0.00 H new ATOM 0 HE22 GLN A 96 22.015 14.561 -7.342 1.00 0.00 H new ATOM 1377 N VAL A 97 18.270 9.103 -10.249 1.00 0.00 N ATOM 1378 CA VAL A 97 17.037 8.929 -11.007 1.00 0.00 C ATOM 1379 C VAL A 97 16.376 7.594 -10.683 1.00 0.00 C ATOM 1380 O VAL A 97 16.734 6.559 -11.245 1.00 0.00 O ATOM 1381 CB VAL A 97 17.294 9.008 -12.524 1.00 0.00 C ATOM 1382 CG1 VAL A 97 16.018 8.716 -13.298 1.00 0.00 C ATOM 1383 CG2 VAL A 97 17.855 10.371 -12.899 1.00 0.00 C ATOM 0 H VAL A 97 19.122 9.000 -10.800 1.00 0.00 H new ATOM 0 HA VAL A 97 16.370 9.741 -10.717 1.00 0.00 H new ATOM 0 HB VAL A 97 18.032 8.251 -12.790 1.00 0.00 H new ATOM 0 HG11 VAL A 97 16.219 8.776 -14.368 1.00 0.00 H new ATOM 0 HG12 VAL A 97 15.664 7.715 -13.051 1.00 0.00 H new ATOM 0 HG13 VAL A 97 15.255 9.447 -13.031 1.00 0.00 H new ATOM 0 HG21 VAL A 97 18.030 10.409 -13.974 1.00 0.00 H new ATOM 0 HG22 VAL A 97 17.142 11.147 -12.620 1.00 0.00 H new ATOM 0 HG23 VAL A 97 18.795 10.535 -12.372 1.00 0.00 H new ATOM 1393 N VAL A 98 15.408 7.625 -9.772 1.00 0.00 N ATOM 1394 CA VAL A 98 14.695 6.417 -9.374 1.00 0.00 C ATOM 1395 C VAL A 98 13.260 6.431 -9.888 1.00 0.00 C ATOM 1396 O VAL A 98 12.386 7.071 -9.303 1.00 0.00 O ATOM 1397 CB VAL A 98 14.679 6.254 -7.842 1.00 0.00 C ATOM 1398 CG1 VAL A 98 13.809 5.073 -7.440 1.00 0.00 C ATOM 1399 CG2 VAL A 98 16.094 6.091 -7.309 1.00 0.00 C ATOM 0 H VAL A 98 15.100 8.473 -9.296 1.00 0.00 H new ATOM 0 HA VAL A 98 15.227 5.575 -9.816 1.00 0.00 H new ATOM 0 HB VAL A 98 14.252 7.155 -7.402 1.00 0.00 H new ATOM 0 HG11 VAL A 98 13.810 4.973 -6.355 1.00 0.00 H new ATOM 0 HG12 VAL A 98 12.789 5.237 -7.789 1.00 0.00 H new ATOM 0 HG13 VAL A 98 14.204 4.161 -7.888 1.00 0.00 H new ATOM 0 HG21 VAL A 98 16.064 5.977 -6.225 1.00 0.00 H new ATOM 0 HG22 VAL A 98 16.551 5.207 -7.754 1.00 0.00 H new ATOM 0 HG23 VAL A 98 16.683 6.972 -7.565 1.00 0.00 H new ATOM 1409 N HIS A 99 13.023 5.720 -10.986 1.00 0.00 N ATOM 1410 CA HIS A 99 11.693 5.650 -11.579 1.00 0.00 C ATOM 1411 C HIS A 99 10.855 4.567 -10.907 1.00 0.00 C ATOM 1412 O HIS A 99 11.040 3.376 -11.161 1.00 0.00 O ATOM 1413 CB HIS A 99 11.794 5.374 -13.080 1.00 0.00 C ATOM 1414 CG HIS A 99 11.989 6.610 -13.904 1.00 0.00 C ATOM 1415 ND1 HIS A 99 13.108 6.830 -14.678 1.00 0.00 N ATOM 1416 CD2 HIS A 99 11.197 7.695 -14.073 1.00 0.00 C ATOM 1417 CE1 HIS A 99 12.998 7.997 -15.287 1.00 0.00 C ATOM 1418 NE2 HIS A 99 11.847 8.542 -14.936 1.00 0.00 N ATOM 0 H HIS A 99 13.735 5.184 -11.483 1.00 0.00 H new ATOM 0 HA HIS A 99 11.203 6.612 -11.426 1.00 0.00 H new ATOM 0 HB2 HIS A 99 12.625 4.692 -13.261 1.00 0.00 H new ATOM 0 HB3 HIS A 99 10.887 4.867 -13.410 1.00 0.00 H new ATOM 0 HD1 HIS A 99 13.898 6.191 -14.767 1.00 0.00 H new ATOM 0 HD2 HIS A 99 10.234 7.863 -13.614 1.00 0.00 H new ATOM 0 HE1 HIS A 99 13.725 8.431 -15.957 1.00 0.00 H new ATOM 1427 N LEU A 100 9.933 4.987 -10.047 1.00 0.00 N ATOM 1428 CA LEU A 100 9.067 4.053 -9.337 1.00 0.00 C ATOM 1429 C LEU A 100 7.814 3.745 -10.151 1.00 0.00 C ATOM 1430 O LEU A 100 7.148 4.652 -10.654 1.00 0.00 O ATOM 1431 CB LEU A 100 8.675 4.625 -7.974 1.00 0.00 C ATOM 1432 CG LEU A 100 8.487 3.608 -6.848 1.00 0.00 C ATOM 1433 CD1 LEU A 100 7.636 2.440 -7.320 1.00 0.00 C ATOM 1434 CD2 LEU A 100 9.835 3.118 -6.341 1.00 0.00 C ATOM 0 H LEU A 100 9.766 5.968 -9.825 1.00 0.00 H new ATOM 0 HA LEU A 100 9.619 3.125 -9.189 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.440 5.338 -7.668 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.746 5.184 -8.090 1.00 0.00 H new ATOM 0 HG LEU A 100 7.968 4.099 -6.024 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.513 1.727 -6.505 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.658 2.805 -7.633 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.126 1.949 -8.161 1.00 0.00 H new ATOM 0 HD21 LEU A 100 9.681 2.395 -5.540 1.00 0.00 H new ATOM 0 HD22 LEU A 100 10.381 2.645 -7.157 1.00 0.00 H new ATOM 0 HD23 LEU A 100 10.410 3.963 -5.962 1.00 0.00 H new ATOM 1446 N THR A 101 7.496 2.460 -10.277 1.00 0.00 N ATOM 1447 CA THR A 101 6.323 2.033 -11.028 1.00 0.00 C ATOM 1448 C THR A 101 5.218 1.551 -10.096 1.00 0.00 C ATOM 1449 O THR A 101 5.345 0.508 -9.452 1.00 0.00 O ATOM 1450 CB THR A 101 6.671 0.906 -12.020 1.00 0.00 C ATOM 1451 OG1 THR A 101 7.885 1.220 -12.711 1.00 0.00 O ATOM 1452 CG2 THR A 101 5.547 0.704 -13.025 1.00 0.00 C ATOM 0 H THR A 101 8.035 1.697 -9.868 1.00 0.00 H new ATOM 0 HA THR A 101 5.971 2.902 -11.585 1.00 0.00 H new ATOM 0 HB THR A 101 6.803 -0.017 -11.456 1.00 0.00 H new ATOM 0 HG1 THR A 101 8.652 0.992 -12.145 1.00 0.00 H new ATOM 0 HG21 THR A 101 5.815 -0.096 -13.715 1.00 0.00 H new ATOM 0 HG22 THR A 101 4.631 0.437 -12.498 1.00 0.00 H new ATOM 0 HG23 THR A 101 5.388 1.626 -13.584 1.00 0.00 H new ATOM 1460 N LEU A 102 4.133 2.315 -10.027 1.00 0.00 N ATOM 1461 CA LEU A 102 3.004 1.964 -9.173 1.00 0.00 C ATOM 1462 C LEU A 102 1.736 1.770 -9.999 1.00 0.00 C ATOM 1463 O LEU A 102 1.636 2.255 -11.126 1.00 0.00 O ATOM 1464 CB LEU A 102 2.779 3.051 -8.120 1.00 0.00 C ATOM 1465 CG LEU A 102 4.034 3.592 -7.435 1.00 0.00 C ATOM 1466 CD1 LEU A 102 4.699 4.652 -8.298 1.00 0.00 C ATOM 1467 CD2 LEU A 102 3.692 4.155 -6.063 1.00 0.00 C ATOM 0 H LEU A 102 4.012 3.181 -10.552 1.00 0.00 H new ATOM 0 HA LEU A 102 3.237 1.024 -8.673 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.259 3.885 -8.593 1.00 0.00 H new ATOM 0 HB3 LEU A 102 2.114 2.654 -7.353 1.00 0.00 H new ATOM 0 HG LEU A 102 4.736 2.769 -7.303 1.00 0.00 H new ATOM 0 HD11 LEU A 102 5.590 5.025 -7.794 1.00 0.00 H new ATOM 0 HD12 LEU A 102 4.980 4.217 -9.257 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.004 5.475 -8.463 1.00 0.00 H new ATOM 0 HD21 LEU A 102 4.597 4.536 -5.590 1.00 0.00 H new ATOM 0 HD22 LEU A 102 2.971 4.965 -6.172 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.262 3.368 -5.443 1.00 0.00 H new ATOM 1479 N VAL A 103 0.768 1.059 -9.429 1.00 0.00 N ATOM 1480 CA VAL A 103 -0.495 0.804 -10.111 1.00 0.00 C ATOM 1481 C VAL A 103 -1.669 0.881 -9.140 1.00 0.00 C ATOM 1482 O VAL A 103 -1.815 0.035 -8.258 1.00 0.00 O ATOM 1483 CB VAL A 103 -0.496 -0.578 -10.791 1.00 0.00 C ATOM 1484 CG1 VAL A 103 0.192 -1.608 -9.909 1.00 0.00 C ATOM 1485 CG2 VAL A 103 -1.918 -1.009 -11.118 1.00 0.00 C ATOM 0 H VAL A 103 0.834 0.650 -8.497 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.605 1.576 -10.873 1.00 0.00 H new ATOM 0 HB VAL A 103 0.061 -0.505 -11.725 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.181 -2.578 -10.406 1.00 0.00 H new ATOM 0 HG12 VAL A 103 1.223 -1.303 -9.730 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.335 -1.682 -8.958 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -1.900 -1.987 -11.598 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.501 -1.066 -10.199 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -2.373 -0.283 -11.792 1.00 0.00 H new ATOM 1495 N ARG A 104 -2.503 1.902 -9.310 1.00 0.00 N ATOM 1496 CA ARG A 104 -3.664 2.090 -8.448 1.00 0.00 C ATOM 1497 C ARG A 104 -4.959 1.898 -9.232 1.00 0.00 C ATOM 1498 O ARG A 104 -4.971 1.978 -10.460 1.00 0.00 O ATOM 1499 CB ARG A 104 -3.639 3.484 -7.820 1.00 0.00 C ATOM 1500 CG ARG A 104 -3.803 4.610 -8.827 1.00 0.00 C ATOM 1501 CD ARG A 104 -3.626 5.972 -8.175 1.00 0.00 C ATOM 1502 NE ARG A 104 -4.591 6.196 -7.102 1.00 0.00 N ATOM 1503 CZ ARG A 104 -4.914 7.399 -6.643 1.00 0.00 C ATOM 1504 NH1 ARG A 104 -4.351 8.483 -7.161 1.00 0.00 N ATOM 1505 NH2 ARG A 104 -5.801 7.521 -5.664 1.00 0.00 N ATOM 0 H ARG A 104 -2.397 2.611 -10.036 1.00 0.00 H new ATOM 0 HA ARG A 104 -3.623 1.341 -7.657 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -4.435 3.553 -7.078 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -2.696 3.617 -7.290 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -3.074 4.492 -9.628 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -4.791 4.550 -9.284 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -2.615 6.054 -7.776 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -3.735 6.752 -8.929 1.00 0.00 H new ATOM 0 HE ARG A 104 -5.042 5.383 -6.682 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -3.668 8.393 -7.914 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -4.601 9.406 -6.807 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -6.236 6.690 -5.263 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -6.048 8.446 -5.312 1.00 0.00 H new ATOM 1519 N ARG A 105 -6.048 1.643 -8.512 1.00 0.00 N ATOM 1520 CA ARG A 105 -7.347 1.437 -9.140 1.00 0.00 C ATOM 1521 C ARG A 105 -7.836 2.718 -9.810 1.00 0.00 C ATOM 1522 O ARG A 105 -7.805 3.794 -9.214 1.00 0.00 O ATOM 1523 CB ARG A 105 -8.370 0.969 -8.103 1.00 0.00 C ATOM 1524 CG ARG A 105 -9.576 0.269 -8.709 1.00 0.00 C ATOM 1525 CD ARG A 105 -10.291 -0.597 -7.684 1.00 0.00 C ATOM 1526 NE ARG A 105 -11.721 -0.701 -7.958 1.00 0.00 N ATOM 1527 CZ ARG A 105 -12.628 -0.995 -7.033 1.00 0.00 C ATOM 1528 NH1 ARG A 105 -12.254 -1.212 -5.780 1.00 0.00 N ATOM 1529 NH2 ARG A 105 -13.911 -1.072 -7.360 1.00 0.00 N ATOM 0 H ARG A 105 -6.056 1.574 -7.494 1.00 0.00 H new ATOM 0 HA ARG A 105 -7.235 0.667 -9.904 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -7.881 0.291 -7.403 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -8.711 1.830 -7.528 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -10.268 1.012 -9.105 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -9.256 -0.348 -9.548 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -9.849 -1.593 -7.680 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -10.142 -0.178 -6.689 1.00 0.00 H new ATOM 0 HE ARG A 105 -12.042 -0.539 -8.913 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -11.268 -1.153 -5.525 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -12.952 -1.438 -5.071 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -14.203 -0.905 -8.323 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -14.606 -1.298 -6.648 1.00 0.00 H new ATOM 1543 N LYS A 106 -8.288 2.593 -11.054 1.00 0.00 N ATOM 1544 CA LYS A 106 -8.784 3.739 -11.806 1.00 0.00 C ATOM 1545 C LYS A 106 -10.166 4.157 -11.312 1.00 0.00 C ATOM 1546 O LYS A 106 -10.860 3.385 -10.651 1.00 0.00 O ATOM 1547 CB LYS A 106 -8.843 3.408 -13.299 1.00 0.00 C ATOM 1548 CG LYS A 106 -7.549 2.831 -13.846 1.00 0.00 C ATOM 1549 CD LYS A 106 -7.805 1.905 -15.023 1.00 0.00 C ATOM 1550 CE LYS A 106 -7.784 2.661 -16.342 1.00 0.00 C ATOM 1551 NZ LYS A 106 -8.679 2.034 -17.355 1.00 0.00 N ATOM 0 H LYS A 106 -8.321 1.709 -11.562 1.00 0.00 H new ATOM 0 HA LYS A 106 -8.095 4.570 -11.651 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -9.650 2.697 -13.473 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -9.090 4.313 -13.854 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -6.891 3.642 -14.157 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -7.031 2.284 -13.058 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -7.049 1.120 -15.041 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -8.771 1.415 -14.899 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -8.092 3.693 -16.174 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -6.765 2.691 -16.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -8.637 2.579 -18.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -8.370 1.057 -17.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -9.656 2.028 -16.999 1.00 0.00 H new