USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 555 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 THR OG1 : rot 33:sc= 0.859 USER MOD Single : A 9 GLN : amide:sc= -0.898 X(o=-0.9,f=-1) USER MOD Single : A 13 SER OG : rot 69:sc= -2.51! USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -1.34 K(o=-1.3,f=-5!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 CYS SG : rot 89:sc= 0.947 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 171:sc= -8.06! (180deg=-8.91!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -58:sc= 0.852 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= -0.218 USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 THR OG1 : rot 97:sc= 1.16 USER MOD Single : B 22 GLN : amide:sc= -0.0478 K(o=-0.048,f=-1) USER MOD ----------------------------------------------------------------- ATOM 66 N THR A 6 0.828 -9.028 9.414 1.00 0.00 N ATOM 67 CA THR A 6 2.166 -8.630 9.938 1.00 0.00 C ATOM 68 C THR A 6 3.264 -9.453 9.259 1.00 0.00 C ATOM 69 O THR A 6 4.318 -8.949 8.928 1.00 0.00 O ATOM 70 CB THR A 6 2.114 -8.935 11.436 1.00 0.00 C ATOM 71 OG1 THR A 6 0.776 -8.812 11.896 1.00 0.00 O ATOM 72 CG2 THR A 6 3.009 -7.952 12.189 1.00 0.00 C ATOM 0 HA THR A 6 2.390 -7.581 9.745 1.00 0.00 H new ATOM 0 HB THR A 6 2.466 -9.951 11.614 1.00 0.00 H new ATOM 0 HG1 THR A 6 0.159 -9.074 11.181 1.00 0.00 H new ATOM 0 HG21 THR A 6 2.971 -8.170 13.256 1.00 0.00 H new ATOM 0 HG22 THR A 6 4.035 -8.049 11.835 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.660 -6.934 12.014 1.00 0.00 H new ATOM 80 N ALA A 7 3.021 -10.718 9.045 1.00 0.00 N ATOM 81 CA ALA A 7 4.047 -11.575 8.384 1.00 0.00 C ATOM 82 C ALA A 7 4.249 -11.117 6.940 1.00 0.00 C ATOM 83 O ALA A 7 5.362 -10.957 6.478 1.00 0.00 O ATOM 84 CB ALA A 7 3.469 -12.990 8.424 1.00 0.00 C ATOM 0 H ALA A 7 2.156 -11.195 9.299 1.00 0.00 H new ATOM 0 HA ALA A 7 5.017 -11.522 8.878 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.168 -13.682 7.955 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.305 -13.287 9.460 1.00 0.00 H new ATOM 0 HB3 ALA A 7 2.521 -13.011 7.886 1.00 0.00 H new ATOM 90 N GLU A 8 3.179 -10.899 6.225 1.00 0.00 N ATOM 91 CA GLU A 8 3.308 -10.443 4.813 1.00 0.00 C ATOM 92 C GLU A 8 4.172 -9.183 4.752 1.00 0.00 C ATOM 93 O GLU A 8 4.946 -8.991 3.836 1.00 0.00 O ATOM 94 CB GLU A 8 1.880 -10.138 4.362 1.00 0.00 C ATOM 95 CG GLU A 8 1.834 -10.053 2.835 1.00 0.00 C ATOM 96 CD GLU A 8 0.377 -10.054 2.366 1.00 0.00 C ATOM 97 OE1 GLU A 8 -0.226 -11.115 2.375 1.00 0.00 O ATOM 98 OE2 GLU A 8 -0.110 -8.996 2.007 1.00 0.00 O ATOM 0 H GLU A 8 2.222 -11.017 6.558 1.00 0.00 H new ATOM 0 HA GLU A 8 3.782 -11.189 4.175 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.202 -10.916 4.714 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.542 -9.199 4.799 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.336 -9.147 2.496 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.368 -10.896 2.397 1.00 0.00 H new ATOM 105 N GLN A 9 4.047 -8.323 5.725 1.00 0.00 N ATOM 106 CA GLN A 9 4.862 -7.075 5.726 1.00 0.00 C ATOM 107 C GLN A 9 6.352 -7.425 5.792 1.00 0.00 C ATOM 108 O GLN A 9 7.151 -6.922 5.027 1.00 0.00 O ATOM 109 CB GLN A 9 4.431 -6.319 6.983 1.00 0.00 C ATOM 110 CG GLN A 9 3.743 -5.012 6.582 1.00 0.00 C ATOM 111 CD GLN A 9 4.777 -4.049 5.997 1.00 0.00 C ATOM 112 OE1 GLN A 9 5.399 -3.295 6.719 1.00 0.00 O ATOM 113 NE2 GLN A 9 4.989 -4.041 4.710 1.00 0.00 N ATOM 0 H GLN A 9 3.416 -8.430 6.519 1.00 0.00 H new ATOM 0 HA GLN A 9 4.712 -6.480 4.825 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.752 -6.933 7.575 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.298 -6.109 7.609 1.00 0.00 H new ATOM 0 HG2 GLN A 9 2.960 -5.211 5.850 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.261 -4.561 7.450 1.00 0.00 H new ATOM 0 HE21 GLN A 9 4.467 -4.674 4.103 1.00 0.00 H new ATOM 0 HE22 GLN A 9 5.676 -3.402 4.310 1.00 0.00 H new ATOM 122 N VAL A 10 6.730 -8.290 6.694 1.00 0.00 N ATOM 123 CA VAL A 10 8.166 -8.674 6.799 1.00 0.00 C ATOM 124 C VAL A 10 8.642 -9.268 5.470 1.00 0.00 C ATOM 125 O VAL A 10 9.713 -8.957 4.988 1.00 0.00 O ATOM 126 CB VAL A 10 8.219 -9.724 7.909 1.00 0.00 C ATOM 127 CG1 VAL A 10 9.635 -10.294 8.005 1.00 0.00 C ATOM 128 CG2 VAL A 10 7.841 -9.074 9.241 1.00 0.00 C ATOM 0 H VAL A 10 6.108 -8.746 7.361 1.00 0.00 H new ATOM 0 HA VAL A 10 8.810 -7.823 7.020 1.00 0.00 H new ATOM 0 HB VAL A 10 7.518 -10.528 7.683 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.673 -11.043 8.796 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.907 -10.755 7.056 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.336 -9.491 8.232 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.878 -9.821 10.034 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.543 -8.271 9.466 1.00 0.00 H new ATOM 0 HG23 VAL A 10 6.832 -8.666 9.174 1.00 0.00 H new ATOM 138 N ILE A 11 7.848 -10.111 4.870 1.00 0.00 N ATOM 139 CA ILE A 11 8.246 -10.715 3.568 1.00 0.00 C ATOM 140 C ILE A 11 8.407 -9.613 2.521 1.00 0.00 C ATOM 141 O ILE A 11 9.387 -9.562 1.804 1.00 0.00 O ATOM 142 CB ILE A 11 7.098 -11.651 3.193 1.00 0.00 C ATOM 143 CG1 ILE A 11 6.999 -12.773 4.228 1.00 0.00 C ATOM 144 CG2 ILE A 11 7.362 -12.255 1.813 1.00 0.00 C ATOM 145 CD1 ILE A 11 5.577 -13.337 4.235 1.00 0.00 C ATOM 0 H ILE A 11 6.939 -10.408 5.226 1.00 0.00 H new ATOM 0 HA ILE A 11 9.195 -11.249 3.626 1.00 0.00 H new ATOM 0 HB ILE A 11 6.164 -11.090 3.172 1.00 0.00 H new ATOM 0 HG12 ILE A 11 7.713 -13.562 3.994 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.256 -12.394 5.217 1.00 0.00 H new ATOM 0 HG21 ILE A 11 6.543 -12.923 1.545 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.435 -11.457 1.074 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.296 -12.817 1.834 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.506 -14.137 4.972 1.00 0.00 H new ATOM 0 HD12 ILE A 11 4.873 -12.545 4.490 1.00 0.00 H new ATOM 0 HD13 ILE A 11 5.337 -13.732 3.248 1.00 0.00 H new ATOM 157 N ALA A 12 7.457 -8.719 2.438 1.00 0.00 N ATOM 158 CA ALA A 12 7.572 -7.613 1.448 1.00 0.00 C ATOM 159 C ALA A 12 8.863 -6.843 1.713 1.00 0.00 C ATOM 160 O ALA A 12 9.591 -6.492 0.804 1.00 0.00 O ATOM 161 CB ALA A 12 6.351 -6.726 1.695 1.00 0.00 C ATOM 0 H ALA A 12 6.612 -8.708 3.010 1.00 0.00 H new ATOM 0 HA ALA A 12 7.603 -7.965 0.417 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.365 -5.886 1.001 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.442 -7.308 1.542 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.374 -6.352 2.718 1.00 0.00 H new ATOM 167 N SER A 13 9.163 -6.596 2.959 1.00 0.00 N ATOM 168 CA SER A 13 10.418 -5.869 3.294 1.00 0.00 C ATOM 169 C SER A 13 11.618 -6.756 2.965 1.00 0.00 C ATOM 170 O SER A 13 12.617 -6.301 2.444 1.00 0.00 O ATOM 171 CB SER A 13 10.338 -5.605 4.796 1.00 0.00 C ATOM 172 OG SER A 13 9.594 -6.645 5.417 1.00 0.00 O ATOM 0 H SER A 13 8.592 -6.867 3.759 1.00 0.00 H new ATOM 0 HA SER A 13 10.532 -4.942 2.732 1.00 0.00 H new ATOM 0 HB2 SER A 13 11.340 -5.555 5.222 1.00 0.00 H new ATOM 0 HB3 SER A 13 9.864 -4.642 4.983 1.00 0.00 H new ATOM 0 HG SER A 13 10.107 -7.479 5.383 1.00 0.00 H new ATOM 178 N PHE A 14 11.523 -8.028 3.254 1.00 0.00 N ATOM 179 CA PHE A 14 12.654 -8.946 2.945 1.00 0.00 C ATOM 180 C PHE A 14 12.847 -9.030 1.430 1.00 0.00 C ATOM 181 O PHE A 14 13.954 -8.989 0.931 1.00 0.00 O ATOM 182 CB PHE A 14 12.234 -10.303 3.512 1.00 0.00 C ATOM 183 CG PHE A 14 12.857 -10.493 4.874 1.00 0.00 C ATOM 184 CD1 PHE A 14 14.239 -10.338 5.040 1.00 0.00 C ATOM 185 CD2 PHE A 14 12.054 -10.824 5.971 1.00 0.00 C ATOM 186 CE1 PHE A 14 14.817 -10.513 6.303 1.00 0.00 C ATOM 187 CE2 PHE A 14 12.632 -10.999 7.235 1.00 0.00 C ATOM 188 CZ PHE A 14 14.012 -10.845 7.400 1.00 0.00 C ATOM 0 H PHE A 14 10.712 -8.468 3.690 1.00 0.00 H new ATOM 0 HA PHE A 14 13.597 -8.608 3.373 1.00 0.00 H new ATOM 0 HB2 PHE A 14 11.148 -10.358 3.586 1.00 0.00 H new ATOM 0 HB3 PHE A 14 12.549 -11.103 2.841 1.00 0.00 H new ATOM 0 HD1 PHE A 14 14.859 -10.083 4.193 1.00 0.00 H new ATOM 0 HD2 PHE A 14 10.988 -10.945 5.843 1.00 0.00 H new ATOM 0 HE1 PHE A 14 15.883 -10.392 6.431 1.00 0.00 H new ATOM 0 HE2 PHE A 14 12.012 -11.253 8.082 1.00 0.00 H new ATOM 0 HZ PHE A 14 14.458 -10.982 8.374 1.00 0.00 H new ATOM 198 N ARG A 15 11.774 -9.133 0.693 1.00 0.00 N ATOM 199 CA ARG A 15 11.895 -9.205 -0.790 1.00 0.00 C ATOM 200 C ARG A 15 12.669 -7.988 -1.301 1.00 0.00 C ATOM 201 O ARG A 15 13.580 -8.106 -2.094 1.00 0.00 O ATOM 202 CB ARG A 15 10.455 -9.185 -1.308 1.00 0.00 C ATOM 203 CG ARG A 15 10.462 -9.157 -2.837 1.00 0.00 C ATOM 204 CD ARG A 15 9.077 -8.749 -3.347 1.00 0.00 C ATOM 205 NE ARG A 15 8.233 -9.964 -3.178 1.00 0.00 N ATOM 206 CZ ARG A 15 8.397 -10.993 -3.966 1.00 0.00 C ATOM 207 NH1 ARG A 15 9.303 -10.962 -4.907 1.00 0.00 N ATOM 208 NH2 ARG A 15 7.654 -12.055 -3.812 1.00 0.00 N ATOM 0 H ARG A 15 10.821 -9.170 1.054 1.00 0.00 H new ATOM 0 HA ARG A 15 12.430 -10.093 -1.125 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.917 -10.064 -0.952 1.00 0.00 H new ATOM 0 HB3 ARG A 15 9.930 -8.312 -0.920 1.00 0.00 H new ATOM 0 HG2 ARG A 15 11.214 -8.454 -3.195 1.00 0.00 H new ATOM 0 HG3 ARG A 15 10.731 -10.138 -3.228 1.00 0.00 H new ATOM 0 HD2 ARG A 15 8.678 -7.909 -2.778 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.116 -8.437 -4.391 1.00 0.00 H new ATOM 0 HE ARG A 15 7.525 -9.993 -2.445 1.00 0.00 H new ATOM 0 HH11 ARG A 15 9.885 -10.133 -5.028 1.00 0.00 H new ATOM 0 HH12 ARG A 15 9.429 -11.767 -5.521 1.00 0.00 H new ATOM 0 HH21 ARG A 15 6.947 -12.080 -3.077 1.00 0.00 H new ATOM 0 HH22 ARG A 15 7.781 -12.859 -4.426 1.00 0.00 H new ATOM 222 N ILE A 16 12.316 -6.818 -0.839 1.00 0.00 N ATOM 223 CA ILE A 16 13.037 -5.593 -1.285 1.00 0.00 C ATOM 224 C ILE A 16 14.513 -5.695 -0.897 1.00 0.00 C ATOM 225 O ILE A 16 15.392 -5.342 -1.658 1.00 0.00 O ATOM 226 CB ILE A 16 12.360 -4.441 -0.539 1.00 0.00 C ATOM 227 CG1 ILE A 16 11.026 -4.115 -1.213 1.00 0.00 C ATOM 228 CG2 ILE A 16 13.261 -3.206 -0.570 1.00 0.00 C ATOM 229 CD1 ILE A 16 10.294 -3.042 -0.405 1.00 0.00 C ATOM 0 H ILE A 16 11.560 -6.659 -0.173 1.00 0.00 H new ATOM 0 HA ILE A 16 12.997 -5.452 -2.365 1.00 0.00 H new ATOM 0 HB ILE A 16 12.186 -4.734 0.496 1.00 0.00 H new ATOM 0 HG12 ILE A 16 11.197 -3.765 -2.231 1.00 0.00 H new ATOM 0 HG13 ILE A 16 10.413 -5.014 -1.283 1.00 0.00 H new ATOM 0 HG21 ILE A 16 12.775 -2.388 -0.038 1.00 0.00 H new ATOM 0 HG22 ILE A 16 14.212 -3.437 -0.090 1.00 0.00 H new ATOM 0 HG23 ILE A 16 13.439 -2.911 -1.604 1.00 0.00 H new ATOM 0 HD11 ILE A 16 9.344 -2.810 -0.885 1.00 0.00 H new ATOM 0 HD12 ILE A 16 10.110 -3.409 0.605 1.00 0.00 H new ATOM 0 HD13 ILE A 16 10.906 -2.141 -0.358 1.00 0.00 H new ATOM 241 N LEU A 17 14.789 -6.185 0.281 1.00 0.00 N ATOM 242 CA LEU A 17 16.206 -6.321 0.720 1.00 0.00 C ATOM 243 C LEU A 17 16.929 -7.335 -0.170 1.00 0.00 C ATOM 244 O LEU A 17 18.067 -7.145 -0.549 1.00 0.00 O ATOM 245 CB LEU A 17 16.124 -6.833 2.159 1.00 0.00 C ATOM 246 CG LEU A 17 16.170 -5.652 3.131 1.00 0.00 C ATOM 247 CD1 LEU A 17 15.217 -4.554 2.655 1.00 0.00 C ATOM 248 CD2 LEU A 17 15.744 -6.125 4.523 1.00 0.00 C ATOM 0 H LEU A 17 14.093 -6.497 0.959 1.00 0.00 H new ATOM 0 HA LEU A 17 16.757 -5.383 0.653 1.00 0.00 H new ATOM 0 HB2 LEU A 17 15.203 -7.398 2.302 1.00 0.00 H new ATOM 0 HB3 LEU A 17 16.951 -7.514 2.360 1.00 0.00 H new ATOM 0 HG LEU A 17 17.185 -5.256 3.171 1.00 0.00 H new ATOM 0 HD11 LEU A 17 15.253 -3.715 3.350 1.00 0.00 H new ATOM 0 HD12 LEU A 17 15.517 -4.217 1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.201 -4.947 2.613 1.00 0.00 H new ATOM 0 HD21 LEU A 17 15.776 -5.286 5.218 1.00 0.00 H new ATOM 0 HD22 LEU A 17 14.729 -6.521 4.478 1.00 0.00 H new ATOM 0 HD23 LEU A 17 16.423 -6.906 4.866 1.00 0.00 H new ATOM 260 N ALA A 18 16.270 -8.410 -0.508 1.00 0.00 N ATOM 261 CA ALA A 18 16.912 -9.438 -1.376 1.00 0.00 C ATOM 262 C ALA A 18 16.996 -8.931 -2.818 1.00 0.00 C ATOM 263 O ALA A 18 17.562 -9.574 -3.681 1.00 0.00 O ATOM 264 CB ALA A 18 15.993 -10.657 -1.289 1.00 0.00 C ATOM 0 H ALA A 18 15.314 -8.621 -0.220 1.00 0.00 H new ATOM 0 HA ALA A 18 17.929 -9.671 -1.061 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.397 -11.462 -1.903 1.00 0.00 H new ATOM 0 HB2 ALA A 18 15.927 -10.989 -0.253 1.00 0.00 H new ATOM 0 HB3 ALA A 18 14.999 -10.390 -1.649 1.00 0.00 H new ATOM 270 N SER A 19 16.434 -7.783 -3.086 1.00 0.00 N ATOM 271 CA SER A 19 16.479 -7.233 -4.472 1.00 0.00 C ATOM 272 C SER A 19 15.641 -8.104 -5.413 1.00 0.00 C ATOM 273 O SER A 19 16.139 -8.644 -6.381 1.00 0.00 O ATOM 274 CB SER A 19 17.953 -7.276 -4.869 1.00 0.00 C ATOM 275 OG SER A 19 18.362 -5.983 -5.295 1.00 0.00 O ATOM 0 H SER A 19 15.945 -7.202 -2.405 1.00 0.00 H new ATOM 0 HA SER A 19 16.073 -6.223 -4.529 1.00 0.00 H new ATOM 0 HB2 SER A 19 18.560 -7.602 -4.024 1.00 0.00 H new ATOM 0 HB3 SER A 19 18.105 -8.000 -5.669 1.00 0.00 H new ATOM 0 HG SER A 19 19.308 -6.006 -5.549 1.00 0.00 H new ATOM 281 N ASP A 20 14.373 -8.242 -5.138 1.00 0.00 N ATOM 282 CA ASP A 20 13.505 -9.076 -6.017 1.00 0.00 C ATOM 283 C ASP A 20 13.960 -10.538 -5.980 1.00 0.00 C ATOM 284 O ASP A 20 14.401 -11.087 -6.970 1.00 0.00 O ATOM 285 CB ASP A 20 13.687 -8.495 -7.420 1.00 0.00 C ATOM 286 CG ASP A 20 12.323 -8.093 -7.986 1.00 0.00 C ATOM 287 OD1 ASP A 20 11.422 -7.862 -7.197 1.00 0.00 O ATOM 288 OD2 ASP A 20 12.205 -8.022 -9.198 1.00 0.00 O ATOM 0 H ASP A 20 13.900 -7.813 -4.342 1.00 0.00 H new ATOM 0 HA ASP A 20 12.462 -9.060 -5.700 1.00 0.00 H new ATOM 0 HB2 ASP A 20 14.347 -7.629 -7.384 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.161 -9.230 -8.071 1.00 0.00 H new ATOM 293 N LYS A 21 13.858 -11.172 -4.844 1.00 0.00 N ATOM 294 CA LYS A 21 14.284 -12.595 -4.743 1.00 0.00 C ATOM 295 C LYS A 21 13.505 -13.299 -3.631 1.00 0.00 C ATOM 296 O LYS A 21 13.219 -12.714 -2.605 1.00 0.00 O ATOM 297 CB LYS A 21 15.772 -12.539 -4.397 1.00 0.00 C ATOM 298 CG LYS A 21 16.552 -11.965 -5.582 1.00 0.00 C ATOM 299 CD LYS A 21 18.040 -12.277 -5.412 1.00 0.00 C ATOM 300 CE LYS A 21 18.834 -11.616 -6.540 1.00 0.00 C ATOM 301 NZ LYS A 21 20.236 -11.561 -6.041 1.00 0.00 N ATOM 0 H LYS A 21 13.498 -10.765 -3.981 1.00 0.00 H new ATOM 0 HA LYS A 21 14.099 -13.148 -5.664 1.00 0.00 H new ATOM 0 HB2 LYS A 21 15.927 -11.921 -3.513 1.00 0.00 H new ATOM 0 HB3 LYS A 21 16.138 -13.537 -4.157 1.00 0.00 H new ATOM 0 HG2 LYS A 21 16.184 -12.393 -6.515 1.00 0.00 H new ATOM 0 HG3 LYS A 21 16.400 -10.887 -5.643 1.00 0.00 H new ATOM 0 HD2 LYS A 21 18.390 -11.914 -4.446 1.00 0.00 H new ATOM 0 HD3 LYS A 21 18.200 -13.355 -5.424 1.00 0.00 H new ATOM 0 HE2 LYS A 21 18.765 -12.193 -7.462 1.00 0.00 H new ATOM 0 HE3 LYS A 21 18.453 -10.618 -6.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 20.843 -11.119 -6.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 20.271 -11.000 -5.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 20.574 -12.525 -5.847 1.00 0.00 H new ATOM 315 N PRO A 22 13.193 -14.543 -3.872 1.00 0.00 N ATOM 316 CA PRO A 22 12.445 -15.310 -2.844 1.00 0.00 C ATOM 317 C PRO A 22 13.383 -15.707 -1.701 1.00 0.00 C ATOM 318 O PRO A 22 12.990 -16.373 -0.763 1.00 0.00 O ATOM 319 CB PRO A 22 11.933 -16.551 -3.580 1.00 0.00 C ATOM 320 CG PRO A 22 12.688 -16.597 -4.869 1.00 0.00 C ATOM 321 CD PRO A 22 13.104 -15.189 -5.185 1.00 0.00 C ATOM 0 HA PRO A 22 11.632 -14.735 -2.401 1.00 0.00 H new ATOM 0 HB2 PRO A 22 12.105 -17.453 -2.993 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.859 -16.486 -3.757 1.00 0.00 H new ATOM 0 HG2 PRO A 22 13.559 -17.246 -4.783 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.066 -17.003 -5.666 1.00 0.00 H new ATOM 0 HD2 PRO A 22 14.060 -15.163 -5.708 1.00 0.00 H new ATOM 0 HD3 PRO A 22 12.376 -14.692 -5.826 1.00 0.00 H new ATOM 329 N TYR A 23 14.622 -15.300 -1.773 1.00 0.00 N ATOM 330 CA TYR A 23 15.589 -15.650 -0.693 1.00 0.00 C ATOM 331 C TYR A 23 16.534 -14.474 -0.437 1.00 0.00 C ATOM 332 O TYR A 23 16.562 -13.517 -1.184 1.00 0.00 O ATOM 333 CB TYR A 23 16.361 -16.857 -1.228 1.00 0.00 C ATOM 334 CG TYR A 23 16.863 -16.556 -2.620 1.00 0.00 C ATOM 335 CD1 TYR A 23 15.997 -16.656 -3.714 1.00 0.00 C ATOM 336 CD2 TYR A 23 18.198 -16.181 -2.816 1.00 0.00 C ATOM 337 CE1 TYR A 23 16.464 -16.379 -5.006 1.00 0.00 C ATOM 338 CE2 TYR A 23 18.665 -15.905 -4.107 1.00 0.00 C ATOM 339 CZ TYR A 23 17.799 -16.003 -5.201 1.00 0.00 C ATOM 340 OH TYR A 23 18.259 -15.731 -6.473 1.00 0.00 O ATOM 0 H TYR A 23 15.006 -14.740 -2.534 1.00 0.00 H new ATOM 0 HA TYR A 23 15.095 -15.873 0.253 1.00 0.00 H new ATOM 0 HB2 TYR A 23 17.199 -17.088 -0.570 1.00 0.00 H new ATOM 0 HB3 TYR A 23 15.717 -17.736 -1.244 1.00 0.00 H new ATOM 0 HD1 TYR A 23 14.968 -16.947 -3.563 1.00 0.00 H new ATOM 0 HD2 TYR A 23 18.867 -16.105 -1.972 1.00 0.00 H new ATOM 0 HE1 TYR A 23 15.795 -16.455 -5.850 1.00 0.00 H new ATOM 0 HE2 TYR A 23 19.695 -15.616 -4.258 1.00 0.00 H new ATOM 0 HH TYR A 23 19.207 -15.484 -6.432 1.00 0.00 H new ATOM 350 N ILE A 24 17.308 -14.533 0.613 1.00 0.00 N ATOM 351 CA ILE A 24 18.244 -13.411 0.906 1.00 0.00 C ATOM 352 C ILE A 24 19.611 -13.961 1.337 1.00 0.00 C ATOM 353 O ILE A 24 19.698 -14.947 2.042 1.00 0.00 O ATOM 354 CB ILE A 24 17.570 -12.624 2.040 1.00 0.00 C ATOM 355 CG1 ILE A 24 18.006 -11.157 1.972 1.00 0.00 C ATOM 356 CG2 ILE A 24 17.957 -13.208 3.403 1.00 0.00 C ATOM 357 CD1 ILE A 24 19.511 -11.057 2.222 1.00 0.00 C ATOM 0 H ILE A 24 17.333 -15.306 1.278 1.00 0.00 H new ATOM 0 HA ILE A 24 18.430 -12.779 0.038 1.00 0.00 H new ATOM 0 HB ILE A 24 16.489 -12.695 1.922 1.00 0.00 H new ATOM 0 HG12 ILE A 24 17.761 -10.739 0.996 1.00 0.00 H new ATOM 0 HG13 ILE A 24 17.464 -10.571 2.715 1.00 0.00 H new ATOM 0 HG21 ILE A 24 17.470 -12.638 4.194 1.00 0.00 H new ATOM 0 HG22 ILE A 24 17.638 -14.249 3.457 1.00 0.00 H new ATOM 0 HG23 ILE A 24 19.038 -13.153 3.529 1.00 0.00 H new ATOM 0 HD11 ILE A 24 19.819 -10.013 2.173 1.00 0.00 H new ATOM 0 HD12 ILE A 24 19.743 -11.458 3.208 1.00 0.00 H new ATOM 0 HD13 ILE A 24 20.045 -11.629 1.463 1.00 0.00 H new ATOM 369 N LEU A 25 20.675 -13.333 0.919 1.00 0.00 N ATOM 370 CA LEU A 25 22.028 -13.822 1.304 1.00 0.00 C ATOM 371 C LEU A 25 22.387 -13.328 2.709 1.00 0.00 C ATOM 372 O LEU A 25 21.901 -12.311 3.164 1.00 0.00 O ATOM 373 CB LEU A 25 22.976 -13.226 0.262 1.00 0.00 C ATOM 374 CG LEU A 25 22.845 -14.003 -1.049 1.00 0.00 C ATOM 375 CD1 LEU A 25 22.080 -13.160 -2.070 1.00 0.00 C ATOM 376 CD2 LEU A 25 24.239 -14.323 -1.593 1.00 0.00 C ATOM 0 H LEU A 25 20.666 -12.502 0.327 1.00 0.00 H new ATOM 0 HA LEU A 25 22.085 -14.910 1.328 1.00 0.00 H new ATOM 0 HB2 LEU A 25 22.740 -12.174 0.099 1.00 0.00 H new ATOM 0 HB3 LEU A 25 24.004 -13.270 0.622 1.00 0.00 H new ATOM 0 HG LEU A 25 22.303 -14.931 -0.868 1.00 0.00 H new ATOM 0 HD11 LEU A 25 21.987 -13.715 -3.004 1.00 0.00 H new ATOM 0 HD12 LEU A 25 21.087 -12.933 -1.683 1.00 0.00 H new ATOM 0 HD13 LEU A 25 22.620 -12.231 -2.252 1.00 0.00 H new ATOM 0 HD21 LEU A 25 24.147 -14.877 -2.527 1.00 0.00 H new ATOM 0 HD22 LEU A 25 24.781 -13.395 -1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 25 24.784 -14.926 -0.866 1.00 0.00 H new ATOM 388 N ALA A 26 23.231 -14.044 3.398 1.00 0.00 N ATOM 389 CA ALA A 26 23.620 -13.622 4.776 1.00 0.00 C ATOM 390 C ALA A 26 24.452 -12.340 4.726 1.00 0.00 C ATOM 391 O ALA A 26 24.315 -11.466 5.558 1.00 0.00 O ATOM 392 CB ALA A 26 24.451 -14.781 5.325 1.00 0.00 C ATOM 0 H ALA A 26 23.669 -14.904 3.068 1.00 0.00 H new ATOM 0 HA ALA A 26 22.753 -13.409 5.401 1.00 0.00 H new ATOM 0 HB1 ALA A 26 24.776 -14.547 6.339 1.00 0.00 H new ATOM 0 HB2 ALA A 26 23.847 -15.688 5.338 1.00 0.00 H new ATOM 0 HB3 ALA A 26 25.324 -14.936 4.690 1.00 0.00 H new ATOM 398 N GLU A 27 25.311 -12.220 3.756 1.00 0.00 N ATOM 399 CA GLU A 27 26.149 -10.994 3.650 1.00 0.00 C ATOM 400 C GLU A 27 25.277 -9.798 3.267 1.00 0.00 C ATOM 401 O GLU A 27 25.515 -8.683 3.685 1.00 0.00 O ATOM 402 CB GLU A 27 27.160 -11.301 2.547 1.00 0.00 C ATOM 403 CG GLU A 27 28.393 -11.970 3.158 1.00 0.00 C ATOM 404 CD GLU A 27 29.599 -11.037 3.028 1.00 0.00 C ATOM 405 OE1 GLU A 27 29.702 -10.121 3.828 1.00 0.00 O ATOM 406 OE2 GLU A 27 30.398 -11.253 2.133 1.00 0.00 O ATOM 0 H GLU A 27 25.470 -12.919 3.030 1.00 0.00 H new ATOM 0 HA GLU A 27 26.640 -10.742 4.590 1.00 0.00 H new ATOM 0 HB2 GLU A 27 26.711 -11.955 1.799 1.00 0.00 H new ATOM 0 HB3 GLU A 27 27.447 -10.382 2.036 1.00 0.00 H new ATOM 0 HG2 GLU A 27 28.211 -12.202 4.207 1.00 0.00 H new ATOM 0 HG3 GLU A 27 28.595 -12.915 2.653 1.00 0.00 H new ATOM 413 N GLU A 28 24.267 -10.021 2.472 1.00 0.00 N ATOM 414 CA GLU A 28 23.381 -8.894 2.063 1.00 0.00 C ATOM 415 C GLU A 28 22.634 -8.349 3.281 1.00 0.00 C ATOM 416 O GLU A 28 22.637 -7.162 3.543 1.00 0.00 O ATOM 417 CB GLU A 28 22.402 -9.506 1.061 1.00 0.00 C ATOM 418 CG GLU A 28 21.592 -8.393 0.391 1.00 0.00 C ATOM 419 CD GLU A 28 21.078 -8.882 -0.964 1.00 0.00 C ATOM 420 OE1 GLU A 28 21.900 -9.153 -1.824 1.00 0.00 O ATOM 421 OE2 GLU A 28 19.872 -8.977 -1.118 1.00 0.00 O ATOM 0 H GLU A 28 24.017 -10.932 2.088 1.00 0.00 H new ATOM 0 HA GLU A 28 23.937 -8.062 1.631 1.00 0.00 H new ATOM 0 HB2 GLU A 28 22.945 -10.078 0.309 1.00 0.00 H new ATOM 0 HB3 GLU A 28 21.733 -10.201 1.568 1.00 0.00 H new ATOM 0 HG2 GLU A 28 20.755 -8.104 1.027 1.00 0.00 H new ATOM 0 HG3 GLU A 28 22.212 -7.506 0.258 1.00 0.00 H new ATOM 428 N LEU A 29 22.001 -9.206 4.035 1.00 0.00 N ATOM 429 CA LEU A 29 21.268 -8.730 5.243 1.00 0.00 C ATOM 430 C LEU A 29 22.265 -8.210 6.280 1.00 0.00 C ATOM 431 O LEU A 29 21.991 -7.282 7.014 1.00 0.00 O ATOM 432 CB LEU A 29 20.503 -9.955 5.765 1.00 0.00 C ATOM 433 CG LEU A 29 21.415 -10.836 6.625 1.00 0.00 C ATOM 434 CD1 LEU A 29 21.507 -10.251 8.035 1.00 0.00 C ATOM 435 CD2 LEU A 29 20.828 -12.247 6.701 1.00 0.00 C ATOM 0 H LEU A 29 21.959 -10.211 3.868 1.00 0.00 H new ATOM 0 HA LEU A 29 20.586 -7.909 5.023 1.00 0.00 H new ATOM 0 HB2 LEU A 29 19.644 -9.631 6.352 1.00 0.00 H new ATOM 0 HB3 LEU A 29 20.116 -10.533 4.926 1.00 0.00 H new ATOM 0 HG LEU A 29 22.410 -10.874 6.181 1.00 0.00 H new ATOM 0 HD11 LEU A 29 22.156 -10.877 8.647 1.00 0.00 H new ATOM 0 HD12 LEU A 29 21.918 -9.243 7.985 1.00 0.00 H new ATOM 0 HD13 LEU A 29 20.512 -10.215 8.480 1.00 0.00 H new ATOM 0 HD21 LEU A 29 21.474 -12.877 7.312 1.00 0.00 H new ATOM 0 HD22 LEU A 29 19.835 -12.204 7.148 1.00 0.00 H new ATOM 0 HD23 LEU A 29 20.757 -12.666 5.697 1.00 0.00 H new ATOM 447 N ARG A 30 23.422 -8.808 6.343 1.00 0.00 N ATOM 448 CA ARG A 30 24.447 -8.359 7.327 1.00 0.00 C ATOM 449 C ARG A 30 24.889 -6.926 7.020 1.00 0.00 C ATOM 450 O ARG A 30 25.201 -6.159 7.910 1.00 0.00 O ATOM 451 CB ARG A 30 25.617 -9.330 7.151 1.00 0.00 C ATOM 452 CG ARG A 30 25.578 -10.388 8.257 1.00 0.00 C ATOM 453 CD ARG A 30 26.923 -11.119 8.312 1.00 0.00 C ATOM 454 NE ARG A 30 26.955 -11.771 9.651 1.00 0.00 N ATOM 455 CZ ARG A 30 27.148 -11.055 10.726 1.00 0.00 C ATOM 456 NH1 ARG A 30 27.311 -9.762 10.633 1.00 0.00 N ATOM 457 NH2 ARG A 30 27.179 -11.631 11.897 1.00 0.00 N ATOM 0 H ARG A 30 23.703 -9.591 5.753 1.00 0.00 H new ATOM 0 HA ARG A 30 24.065 -8.359 8.348 1.00 0.00 H new ATOM 0 HB2 ARG A 30 25.561 -9.809 6.174 1.00 0.00 H new ATOM 0 HB3 ARG A 30 26.562 -8.787 7.186 1.00 0.00 H new ATOM 0 HG2 ARG A 30 25.368 -9.918 9.218 1.00 0.00 H new ATOM 0 HG3 ARG A 30 24.773 -11.098 8.067 1.00 0.00 H new ATOM 0 HD2 ARG A 30 27.004 -11.856 7.513 1.00 0.00 H new ATOM 0 HD3 ARG A 30 27.754 -10.425 8.192 1.00 0.00 H new ATOM 0 HE ARG A 30 26.826 -12.780 9.728 1.00 0.00 H new ATOM 0 HH11 ARG A 30 27.288 -9.309 9.719 1.00 0.00 H new ATOM 0 HH12 ARG A 30 27.462 -9.205 11.474 1.00 0.00 H new ATOM 0 HH21 ARG A 30 27.053 -12.640 11.972 1.00 0.00 H new ATOM 0 HH22 ARG A 30 27.330 -11.072 12.737 1.00 0.00 H new ATOM 471 N ARG A 31 24.933 -6.562 5.767 1.00 0.00 N ATOM 472 CA ARG A 31 25.374 -5.183 5.404 1.00 0.00 C ATOM 473 C ARG A 31 24.185 -4.215 5.350 1.00 0.00 C ATOM 474 O ARG A 31 24.361 -3.013 5.358 1.00 0.00 O ATOM 475 CB ARG A 31 26.006 -5.325 4.020 1.00 0.00 C ATOM 476 CG ARG A 31 27.382 -4.656 4.019 1.00 0.00 C ATOM 477 CD ARG A 31 28.403 -5.587 4.678 1.00 0.00 C ATOM 478 NE ARG A 31 28.533 -5.084 6.074 1.00 0.00 N ATOM 479 CZ ARG A 31 29.084 -3.922 6.303 1.00 0.00 C ATOM 480 NH1 ARG A 31 29.522 -3.196 5.311 1.00 0.00 N ATOM 481 NH2 ARG A 31 29.195 -3.486 7.527 1.00 0.00 N ATOM 0 H ARG A 31 24.683 -7.159 4.979 1.00 0.00 H new ATOM 0 HA ARG A 31 26.067 -4.776 6.140 1.00 0.00 H new ATOM 0 HB2 ARG A 31 26.101 -6.379 3.758 1.00 0.00 H new ATOM 0 HB3 ARG A 31 25.366 -4.866 3.267 1.00 0.00 H new ATOM 0 HG2 ARG A 31 27.687 -4.429 2.997 1.00 0.00 H new ATOM 0 HG3 ARG A 31 27.338 -3.709 4.556 1.00 0.00 H new ATOM 0 HD2 ARG A 31 28.063 -6.622 4.661 1.00 0.00 H new ATOM 0 HD3 ARG A 31 29.360 -5.557 4.156 1.00 0.00 H new ATOM 0 HE ARG A 31 28.191 -5.648 6.852 1.00 0.00 H new ATOM 0 HH11 ARG A 31 29.435 -3.535 4.353 1.00 0.00 H new ATOM 0 HH12 ARG A 31 29.952 -2.289 5.494 1.00 0.00 H new ATOM 0 HH21 ARG A 31 28.852 -4.052 8.303 1.00 0.00 H new ATOM 0 HH22 ARG A 31 29.625 -2.579 7.708 1.00 0.00 H new ATOM 495 N GLU A 32 22.980 -4.714 5.288 1.00 0.00 N ATOM 496 CA GLU A 32 21.807 -3.792 5.227 1.00 0.00 C ATOM 497 C GLU A 32 21.163 -3.643 6.607 1.00 0.00 C ATOM 498 O GLU A 32 20.500 -2.665 6.891 1.00 0.00 O ATOM 499 CB GLU A 32 20.832 -4.444 4.248 1.00 0.00 C ATOM 500 CG GLU A 32 20.156 -5.645 4.910 1.00 0.00 C ATOM 501 CD GLU A 32 18.837 -5.202 5.546 1.00 0.00 C ATOM 502 OE1 GLU A 32 18.671 -4.010 5.748 1.00 0.00 O ATOM 503 OE2 GLU A 32 18.016 -6.061 5.818 1.00 0.00 O ATOM 0 H GLU A 32 22.757 -5.709 5.277 1.00 0.00 H new ATOM 0 HA GLU A 32 22.096 -2.791 4.908 1.00 0.00 H new ATOM 0 HB2 GLU A 32 20.080 -3.720 3.933 1.00 0.00 H new ATOM 0 HB3 GLU A 32 21.363 -4.763 3.351 1.00 0.00 H new ATOM 0 HG2 GLU A 32 19.972 -6.425 4.171 1.00 0.00 H new ATOM 0 HG3 GLU A 32 20.812 -6.073 5.668 1.00 0.00 H new ATOM 510 N LEU A 33 21.350 -4.604 7.465 1.00 0.00 N ATOM 511 CA LEU A 33 20.747 -4.515 8.826 1.00 0.00 C ATOM 512 C LEU A 33 21.833 -4.272 9.877 1.00 0.00 C ATOM 513 O LEU A 33 22.902 -4.846 9.809 1.00 0.00 O ATOM 514 CB LEU A 33 20.086 -5.873 9.052 1.00 0.00 C ATOM 515 CG LEU A 33 18.588 -5.768 8.760 1.00 0.00 C ATOM 516 CD1 LEU A 33 18.006 -7.171 8.567 1.00 0.00 C ATOM 517 CD2 LEU A 33 17.887 -5.083 9.935 1.00 0.00 C ATOM 0 H LEU A 33 21.894 -5.448 7.285 1.00 0.00 H new ATOM 0 HA LEU A 33 20.037 -3.692 8.907 1.00 0.00 H new ATOM 0 HB2 LEU A 33 20.541 -6.623 8.405 1.00 0.00 H new ATOM 0 HB3 LEU A 33 20.245 -6.200 10.080 1.00 0.00 H new ATOM 0 HG LEU A 33 18.434 -5.183 7.853 1.00 0.00 H new ATOM 0 HD11 LEU A 33 16.939 -7.097 8.359 1.00 0.00 H new ATOM 0 HD12 LEU A 33 18.506 -7.660 7.731 1.00 0.00 H new ATOM 0 HD13 LEU A 33 18.159 -7.756 9.474 1.00 0.00 H new ATOM 0 HD21 LEU A 33 16.819 -5.008 9.728 1.00 0.00 H new ATOM 0 HD22 LEU A 33 18.040 -5.668 10.842 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.301 -4.084 10.074 1.00 0.00 H new ATOM 529 N PRO A 34 21.517 -3.428 10.822 1.00 0.00 N ATOM 530 CA PRO A 34 22.513 -3.141 11.887 1.00 0.00 C ATOM 531 C PRO A 34 23.153 -4.446 12.366 1.00 0.00 C ATOM 532 O PRO A 34 22.483 -5.449 12.507 1.00 0.00 O ATOM 533 CB PRO A 34 21.695 -2.492 13.002 1.00 0.00 C ATOM 534 CG PRO A 34 20.472 -1.965 12.330 1.00 0.00 C ATOM 535 CD PRO A 34 20.204 -2.858 11.150 1.00 0.00 C ATOM 0 HA PRO A 34 23.327 -2.499 11.550 1.00 0.00 H new ATOM 0 HB2 PRO A 34 21.439 -3.216 13.776 1.00 0.00 H new ATOM 0 HB3 PRO A 34 22.254 -1.692 13.487 1.00 0.00 H new ATOM 0 HG2 PRO A 34 19.624 -1.965 13.015 1.00 0.00 H new ATOM 0 HG3 PRO A 34 20.622 -0.934 12.008 1.00 0.00 H new ATOM 0 HD2 PRO A 34 19.482 -3.637 11.396 1.00 0.00 H new ATOM 0 HD3 PRO A 34 19.793 -2.296 10.311 1.00 0.00 H new ATOM 543 N PRO A 35 24.438 -4.388 12.591 1.00 0.00 N ATOM 544 CA PRO A 35 25.147 -5.615 13.051 1.00 0.00 C ATOM 545 C PRO A 35 24.292 -6.383 14.064 1.00 0.00 C ATOM 546 O PRO A 35 24.250 -7.597 14.060 1.00 0.00 O ATOM 547 CB PRO A 35 26.427 -5.092 13.707 1.00 0.00 C ATOM 548 CG PRO A 35 26.581 -3.695 13.207 1.00 0.00 C ATOM 549 CD PRO A 35 25.198 -3.181 12.932 1.00 0.00 C ATOM 0 HA PRO A 35 25.353 -6.308 12.236 1.00 0.00 H new ATOM 0 HB2 PRO A 35 26.350 -5.115 14.794 1.00 0.00 H new ATOM 0 HB3 PRO A 35 27.287 -5.704 13.436 1.00 0.00 H new ATOM 0 HG2 PRO A 35 27.085 -3.073 13.946 1.00 0.00 H new ATOM 0 HG3 PRO A 35 27.189 -3.672 12.303 1.00 0.00 H new ATOM 0 HD2 PRO A 35 24.778 -2.676 13.802 1.00 0.00 H new ATOM 0 HD3 PRO A 35 25.194 -2.461 12.114 1.00 0.00 H new ATOM 557 N ASP A 36 23.613 -5.685 14.933 1.00 0.00 N ATOM 558 CA ASP A 36 22.765 -6.378 15.945 1.00 0.00 C ATOM 559 C ASP A 36 21.596 -7.105 15.270 1.00 0.00 C ATOM 560 O ASP A 36 21.306 -8.245 15.577 1.00 0.00 O ATOM 561 CB ASP A 36 22.248 -5.264 16.857 1.00 0.00 C ATOM 562 CG ASP A 36 22.754 -5.497 18.282 1.00 0.00 C ATOM 563 OD1 ASP A 36 23.956 -5.617 18.450 1.00 0.00 O ATOM 564 OD2 ASP A 36 21.930 -5.552 19.181 1.00 0.00 O ATOM 0 H ASP A 36 23.608 -4.666 14.986 1.00 0.00 H new ATOM 0 HA ASP A 36 23.325 -7.134 16.495 1.00 0.00 H new ATOM 0 HB2 ASP A 36 22.587 -4.294 16.493 1.00 0.00 H new ATOM 0 HB3 ASP A 36 21.158 -5.246 16.845 1.00 0.00 H new ATOM 569 N GLN A 37 20.918 -6.460 14.360 1.00 0.00 N ATOM 570 CA GLN A 37 19.767 -7.122 13.680 1.00 0.00 C ATOM 571 C GLN A 37 20.262 -8.238 12.758 1.00 0.00 C ATOM 572 O GLN A 37 19.710 -9.319 12.724 1.00 0.00 O ATOM 573 CB GLN A 37 19.097 -6.017 12.864 1.00 0.00 C ATOM 574 CG GLN A 37 18.630 -4.899 13.797 1.00 0.00 C ATOM 575 CD GLN A 37 17.502 -5.417 14.691 1.00 0.00 C ATOM 576 OE1 GLN A 37 16.511 -5.927 14.205 1.00 0.00 O ATOM 577 NE2 GLN A 37 17.610 -5.306 15.986 1.00 0.00 N ATOM 0 H GLN A 37 21.110 -5.505 14.058 1.00 0.00 H new ATOM 0 HA GLN A 37 19.080 -7.579 14.392 1.00 0.00 H new ATOM 0 HB2 GLN A 37 19.796 -5.621 12.127 1.00 0.00 H new ATOM 0 HB3 GLN A 37 18.248 -6.422 12.313 1.00 0.00 H new ATOM 0 HG2 GLN A 37 19.462 -4.550 14.409 1.00 0.00 H new ATOM 0 HG3 GLN A 37 18.283 -4.046 13.214 1.00 0.00 H new ATOM 0 HE21 GLN A 37 18.441 -4.878 16.394 1.00 0.00 H new ATOM 0 HE22 GLN A 37 16.863 -5.647 16.591 1.00 0.00 H new ATOM 586 N ALA A 38 21.293 -7.980 12.004 1.00 0.00 N ATOM 587 CA ALA A 38 21.817 -9.022 11.077 1.00 0.00 C ATOM 588 C ALA A 38 22.211 -10.282 11.852 1.00 0.00 C ATOM 589 O ALA A 38 21.835 -11.380 11.500 1.00 0.00 O ATOM 590 CB ALA A 38 23.046 -8.386 10.429 1.00 0.00 C ATOM 0 H ALA A 38 21.796 -7.093 11.989 1.00 0.00 H new ATOM 0 HA ALA A 38 21.074 -9.328 10.340 1.00 0.00 H new ATOM 0 HB1 ALA A 38 23.494 -9.091 9.729 1.00 0.00 H new ATOM 0 HB2 ALA A 38 22.750 -7.483 9.895 1.00 0.00 H new ATOM 0 HB3 ALA A 38 23.772 -8.130 11.200 1.00 0.00 H new ATOM 596 N GLN A 39 22.965 -10.133 12.904 1.00 0.00 N ATOM 597 CA GLN A 39 23.381 -11.328 13.695 1.00 0.00 C ATOM 598 C GLN A 39 22.151 -12.078 14.217 1.00 0.00 C ATOM 599 O GLN A 39 22.107 -13.292 14.213 1.00 0.00 O ATOM 600 CB GLN A 39 24.204 -10.771 14.855 1.00 0.00 C ATOM 601 CG GLN A 39 25.055 -11.892 15.455 1.00 0.00 C ATOM 602 CD GLN A 39 26.178 -11.286 16.301 1.00 0.00 C ATOM 603 OE1 GLN A 39 25.924 -10.674 17.319 1.00 0.00 O ATOM 604 NE2 GLN A 39 27.417 -11.435 15.921 1.00 0.00 N ATOM 0 H GLN A 39 23.312 -9.239 13.251 1.00 0.00 H new ATOM 0 HA GLN A 39 23.951 -12.038 13.096 1.00 0.00 H new ATOM 0 HB2 GLN A 39 24.844 -9.960 14.506 1.00 0.00 H new ATOM 0 HB3 GLN A 39 23.545 -10.352 15.616 1.00 0.00 H new ATOM 0 HG2 GLN A 39 24.435 -12.545 16.069 1.00 0.00 H new ATOM 0 HG3 GLN A 39 25.476 -12.508 14.660 1.00 0.00 H new ATOM 0 HE21 GLN A 39 27.630 -11.949 15.066 1.00 0.00 H new ATOM 0 HE22 GLN A 39 28.173 -11.038 16.479 1.00 0.00 H new ATOM 613 N TYR A 40 21.155 -11.366 14.668 1.00 0.00 N ATOM 614 CA TYR A 40 19.933 -12.044 15.191 1.00 0.00 C ATOM 615 C TYR A 40 19.205 -12.777 14.060 1.00 0.00 C ATOM 616 O TYR A 40 18.831 -13.925 14.194 1.00 0.00 O ATOM 617 CB TYR A 40 19.062 -10.918 15.747 1.00 0.00 C ATOM 618 CG TYR A 40 18.838 -11.136 17.225 1.00 0.00 C ATOM 619 CD1 TYR A 40 19.846 -10.809 18.141 1.00 0.00 C ATOM 620 CD2 TYR A 40 17.624 -11.664 17.679 1.00 0.00 C ATOM 621 CE1 TYR A 40 19.638 -11.010 19.511 1.00 0.00 C ATOM 622 CE2 TYR A 40 17.416 -11.865 19.050 1.00 0.00 C ATOM 623 CZ TYR A 40 18.424 -11.538 19.965 1.00 0.00 C ATOM 624 OH TYR A 40 18.219 -11.737 21.316 1.00 0.00 O ATOM 0 H TYR A 40 21.133 -10.347 14.697 1.00 0.00 H new ATOM 0 HA TYR A 40 20.170 -12.790 15.950 1.00 0.00 H new ATOM 0 HB2 TYR A 40 19.544 -9.955 15.580 1.00 0.00 H new ATOM 0 HB3 TYR A 40 18.106 -10.891 15.224 1.00 0.00 H new ATOM 0 HD1 TYR A 40 20.783 -10.402 17.791 1.00 0.00 H new ATOM 0 HD2 TYR A 40 16.847 -11.917 16.972 1.00 0.00 H new ATOM 0 HE1 TYR A 40 20.415 -10.757 20.218 1.00 0.00 H new ATOM 0 HE2 TYR A 40 16.479 -12.272 19.401 1.00 0.00 H new ATOM 0 HH TYR A 40 17.324 -12.109 21.460 1.00 0.00 H new ATOM 634 N CYS A 41 18.996 -12.122 12.950 1.00 0.00 N ATOM 635 CA CYS A 41 18.289 -12.785 11.816 1.00 0.00 C ATOM 636 C CYS A 41 19.099 -13.980 11.309 1.00 0.00 C ATOM 637 O CYS A 41 18.580 -15.063 11.129 1.00 0.00 O ATOM 638 CB CYS A 41 18.178 -11.712 10.733 1.00 0.00 C ATOM 639 SG CYS A 41 17.420 -10.225 11.432 1.00 0.00 S ATOM 0 H CYS A 41 19.283 -11.158 12.779 1.00 0.00 H new ATOM 0 HA CYS A 41 17.312 -13.169 12.110 1.00 0.00 H new ATOM 0 HB2 CYS A 41 19.166 -11.477 10.336 1.00 0.00 H new ATOM 0 HB3 CYS A 41 17.579 -12.081 9.900 1.00 0.00 H new ATOM 0 HG CYS A 41 18.346 -9.457 11.924 1.00 0.00 H new ATOM 645 N ILE A 42 20.369 -13.791 11.081 1.00 0.00 N ATOM 646 CA ILE A 42 21.223 -14.909 10.582 1.00 0.00 C ATOM 647 C ILE A 42 20.986 -16.194 11.391 1.00 0.00 C ATOM 648 O ILE A 42 21.318 -17.278 10.956 1.00 0.00 O ATOM 649 CB ILE A 42 22.658 -14.419 10.784 1.00 0.00 C ATOM 650 CG1 ILE A 42 22.940 -13.250 9.831 1.00 0.00 C ATOM 651 CG2 ILE A 42 23.634 -15.564 10.503 1.00 0.00 C ATOM 652 CD1 ILE A 42 23.175 -13.775 8.414 1.00 0.00 C ATOM 0 H ILE A 42 20.856 -12.906 11.219 1.00 0.00 H new ATOM 0 HA ILE A 42 21.001 -15.153 9.543 1.00 0.00 H new ATOM 0 HB ILE A 42 22.786 -14.082 11.813 1.00 0.00 H new ATOM 0 HG12 ILE A 42 22.100 -12.556 9.836 1.00 0.00 H new ATOM 0 HG13 ILE A 42 23.814 -12.695 10.172 1.00 0.00 H new ATOM 0 HG21 ILE A 42 24.656 -15.214 10.647 1.00 0.00 H new ATOM 0 HG22 ILE A 42 23.433 -16.389 11.186 1.00 0.00 H new ATOM 0 HG23 ILE A 42 23.509 -15.905 9.475 1.00 0.00 H new ATOM 0 HD11 ILE A 42 23.374 -12.938 7.744 1.00 0.00 H new ATOM 0 HD12 ILE A 42 24.030 -14.452 8.414 1.00 0.00 H new ATOM 0 HD13 ILE A 42 22.289 -14.310 8.072 1.00 0.00 H new ATOM 664 N LYS A 43 20.433 -16.083 12.571 1.00 0.00 N ATOM 665 CA LYS A 43 20.200 -17.299 13.406 1.00 0.00 C ATOM 666 C LYS A 43 18.886 -17.995 13.032 1.00 0.00 C ATOM 667 O LYS A 43 18.717 -19.174 13.265 1.00 0.00 O ATOM 668 CB LYS A 43 20.132 -16.777 14.841 1.00 0.00 C ATOM 669 CG LYS A 43 21.087 -17.580 15.726 1.00 0.00 C ATOM 670 CD LYS A 43 21.601 -16.690 16.859 1.00 0.00 C ATOM 671 CE LYS A 43 20.580 -16.672 17.998 1.00 0.00 C ATOM 672 NZ LYS A 43 20.929 -17.847 18.845 1.00 0.00 N ATOM 0 H LYS A 43 20.133 -15.204 12.992 1.00 0.00 H new ATOM 0 HA LYS A 43 20.987 -18.040 13.263 1.00 0.00 H new ATOM 0 HB2 LYS A 43 20.398 -15.720 14.867 1.00 0.00 H new ATOM 0 HB3 LYS A 43 19.113 -16.859 15.220 1.00 0.00 H new ATOM 0 HG2 LYS A 43 20.575 -18.450 16.136 1.00 0.00 H new ATOM 0 HG3 LYS A 43 21.923 -17.952 15.134 1.00 0.00 H new ATOM 0 HD2 LYS A 43 22.559 -17.062 17.221 1.00 0.00 H new ATOM 0 HD3 LYS A 43 21.770 -15.678 16.492 1.00 0.00 H new ATOM 0 HE2 LYS A 43 20.639 -15.744 18.567 1.00 0.00 H new ATOM 0 HE3 LYS A 43 19.562 -16.748 17.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 20.272 -17.903 19.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 20.858 -18.716 18.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 21.901 -17.743 19.199 1.00 0.00 H new ATOM 686 N ARG A 44 17.949 -17.283 12.466 1.00 0.00 N ATOM 687 CA ARG A 44 16.653 -17.930 12.102 1.00 0.00 C ATOM 688 C ARG A 44 16.656 -18.370 10.634 1.00 0.00 C ATOM 689 O ARG A 44 16.673 -19.548 10.349 1.00 0.00 O ATOM 690 CB ARG A 44 15.593 -16.858 12.348 1.00 0.00 C ATOM 691 CG ARG A 44 15.051 -17.000 13.774 1.00 0.00 C ATOM 692 CD ARG A 44 14.576 -15.637 14.283 1.00 0.00 C ATOM 693 NE ARG A 44 14.103 -15.889 15.673 1.00 0.00 N ATOM 694 CZ ARG A 44 13.780 -14.887 16.447 1.00 0.00 C ATOM 695 NH1 ARG A 44 13.856 -13.662 15.999 1.00 0.00 N ATOM 696 NH2 ARG A 44 13.377 -15.110 17.667 1.00 0.00 N ATOM 0 H ARG A 44 18.022 -16.291 12.241 1.00 0.00 H new ATOM 0 HA ARG A 44 16.467 -18.829 12.689 1.00 0.00 H new ATOM 0 HB2 ARG A 44 16.023 -15.866 12.207 1.00 0.00 H new ATOM 0 HB3 ARG A 44 14.782 -16.960 11.627 1.00 0.00 H new ATOM 0 HG2 ARG A 44 14.227 -17.713 13.791 1.00 0.00 H new ATOM 0 HG3 ARG A 44 15.827 -17.394 14.431 1.00 0.00 H new ATOM 0 HD2 ARG A 44 15.384 -14.906 14.267 1.00 0.00 H new ATOM 0 HD3 ARG A 44 13.775 -15.240 13.659 1.00 0.00 H new ATOM 0 HE ARG A 44 14.031 -16.845 16.021 1.00 0.00 H new ATOM 0 HH11 ARG A 44 14.168 -13.487 15.044 1.00 0.00 H new ATOM 0 HH12 ARG A 44 13.603 -12.881 16.604 1.00 0.00 H new ATOM 0 HH21 ARG A 44 13.314 -16.066 18.017 1.00 0.00 H new ATOM 0 HH22 ARG A 44 13.125 -14.328 18.272 1.00 0.00 H new ATOM 710 N MET A 45 16.625 -17.423 9.718 1.00 0.00 N ATOM 711 CA MET A 45 16.613 -17.741 8.245 1.00 0.00 C ATOM 712 C MET A 45 17.008 -19.198 7.972 1.00 0.00 C ATOM 713 O MET A 45 18.153 -19.488 7.687 1.00 0.00 O ATOM 714 CB MET A 45 17.648 -16.802 7.610 1.00 0.00 C ATOM 715 CG MET A 45 17.622 -15.430 8.288 1.00 0.00 C ATOM 716 SD MET A 45 18.079 -14.151 7.095 1.00 0.00 S ATOM 717 CE MET A 45 16.401 -13.582 6.743 1.00 0.00 C ATOM 0 H MET A 45 16.607 -16.426 9.932 1.00 0.00 H new ATOM 0 HA MET A 45 15.612 -17.606 7.834 1.00 0.00 H new ATOM 0 HB2 MET A 45 18.643 -17.238 7.697 1.00 0.00 H new ATOM 0 HB3 MET A 45 17.441 -16.691 6.546 1.00 0.00 H new ATOM 0 HG2 MET A 45 16.628 -15.230 8.687 1.00 0.00 H new ATOM 0 HG3 MET A 45 18.312 -15.417 9.131 1.00 0.00 H new ATOM 0 HE1 MET A 45 16.443 -12.675 6.140 1.00 0.00 H new ATOM 0 HE2 MET A 45 15.862 -14.356 6.197 1.00 0.00 H new ATOM 0 HE3 MET A 45 15.884 -13.372 7.679 1.00 0.00 H new ATOM 727 N PRO A 46 16.036 -20.066 8.070 1.00 0.00 N ATOM 728 CA PRO A 46 16.325 -21.505 7.824 1.00 0.00 C ATOM 729 C PRO A 46 16.921 -21.695 6.428 1.00 0.00 C ATOM 730 O PRO A 46 16.909 -20.797 5.610 1.00 0.00 O ATOM 731 CB PRO A 46 14.963 -22.189 7.925 1.00 0.00 C ATOM 732 CG PRO A 46 14.099 -21.241 8.687 1.00 0.00 C ATOM 733 CD PRO A 46 14.629 -19.856 8.433 1.00 0.00 C ATOM 0 HA PRO A 46 17.047 -21.915 8.530 1.00 0.00 H new ATOM 0 HB2 PRO A 46 14.550 -22.389 6.936 1.00 0.00 H new ATOM 0 HB3 PRO A 46 15.042 -23.148 8.438 1.00 0.00 H new ATOM 0 HG2 PRO A 46 13.061 -21.321 8.364 1.00 0.00 H new ATOM 0 HG3 PRO A 46 14.120 -21.472 9.752 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.081 -19.361 7.631 1.00 0.00 H new ATOM 0 HD3 PRO A 46 14.536 -19.226 9.318 1.00 0.00 H new ATOM 859 N ALA A 57 22.006 -19.369 0.099 1.00 0.00 N ATOM 860 CA ALA A 57 20.779 -18.528 0.207 1.00 0.00 C ATOM 861 C ALA A 57 19.998 -18.889 1.474 1.00 0.00 C ATOM 862 O ALA A 57 19.947 -20.032 1.880 1.00 0.00 O ATOM 863 CB ALA A 57 19.962 -18.863 -1.040 1.00 0.00 C ATOM 0 HA ALA A 57 21.011 -17.465 0.271 1.00 0.00 H new ATOM 0 HB1 ALA A 57 19.039 -18.283 -1.037 1.00 0.00 H new ATOM 0 HB2 ALA A 57 20.541 -18.619 -1.931 1.00 0.00 H new ATOM 0 HB3 ALA A 57 19.723 -19.926 -1.043 1.00 0.00 H new ATOM 869 N LEU A 58 19.387 -17.921 2.101 1.00 0.00 N ATOM 870 CA LEU A 58 18.605 -18.207 3.340 1.00 0.00 C ATOM 871 C LEU A 58 17.146 -17.783 3.147 1.00 0.00 C ATOM 872 O LEU A 58 16.837 -16.954 2.315 1.00 0.00 O ATOM 873 CB LEU A 58 19.266 -17.363 4.430 1.00 0.00 C ATOM 874 CG LEU A 58 20.740 -17.750 4.555 1.00 0.00 C ATOM 875 CD1 LEU A 58 21.388 -16.938 5.677 1.00 0.00 C ATOM 876 CD2 LEU A 58 20.850 -19.241 4.879 1.00 0.00 C ATOM 0 H LEU A 58 19.395 -16.944 1.810 1.00 0.00 H new ATOM 0 HA LEU A 58 18.601 -19.267 3.593 1.00 0.00 H new ATOM 0 HB2 LEU A 58 19.177 -16.304 4.188 1.00 0.00 H new ATOM 0 HB3 LEU A 58 18.757 -17.517 5.382 1.00 0.00 H new ATOM 0 HG LEU A 58 21.250 -17.542 3.614 1.00 0.00 H new ATOM 0 HD11 LEU A 58 22.439 -17.214 5.766 1.00 0.00 H new ATOM 0 HD12 LEU A 58 21.310 -15.875 5.449 1.00 0.00 H new ATOM 0 HD13 LEU A 58 20.878 -17.145 6.618 1.00 0.00 H new ATOM 0 HD21 LEU A 58 21.901 -19.517 4.968 1.00 0.00 H new ATOM 0 HD22 LEU A 58 20.339 -19.448 5.820 1.00 0.00 H new ATOM 0 HD23 LEU A 58 20.389 -19.822 4.080 1.00 0.00 H new ATOM 888 N ASP A 59 16.247 -18.345 3.908 1.00 0.00 N ATOM 889 CA ASP A 59 14.812 -17.968 3.758 1.00 0.00 C ATOM 890 C ASP A 59 14.374 -17.056 4.906 1.00 0.00 C ATOM 891 O ASP A 59 14.285 -17.471 6.044 1.00 0.00 O ATOM 892 CB ASP A 59 14.041 -19.287 3.802 1.00 0.00 C ATOM 893 CG ASP A 59 13.604 -19.669 2.387 1.00 0.00 C ATOM 894 OD1 ASP A 59 14.247 -19.226 1.450 1.00 0.00 O ATOM 895 OD2 ASP A 59 12.633 -20.398 2.265 1.00 0.00 O ATOM 0 H ASP A 59 16.442 -19.045 4.624 1.00 0.00 H new ATOM 0 HA ASP A 59 14.631 -17.421 2.833 1.00 0.00 H new ATOM 0 HB2 ASP A 59 14.667 -20.073 4.225 1.00 0.00 H new ATOM 0 HB3 ASP A 59 13.170 -19.190 4.450 1.00 0.00 H new ATOM 900 N TYR A 60 14.088 -15.818 4.612 1.00 0.00 N ATOM 901 CA TYR A 60 13.644 -14.879 5.679 1.00 0.00 C ATOM 902 C TYR A 60 12.155 -15.091 5.953 1.00 0.00 C ATOM 903 O TYR A 60 11.644 -14.721 6.992 1.00 0.00 O ATOM 904 CB TYR A 60 13.888 -13.482 5.102 1.00 0.00 C ATOM 905 CG TYR A 60 13.172 -13.350 3.779 1.00 0.00 C ATOM 906 CD1 TYR A 60 11.787 -13.146 3.748 1.00 0.00 C ATOM 907 CD2 TYR A 60 13.896 -13.433 2.584 1.00 0.00 C ATOM 908 CE1 TYR A 60 11.126 -13.024 2.519 1.00 0.00 C ATOM 909 CE2 TYR A 60 13.234 -13.311 1.356 1.00 0.00 C ATOM 910 CZ TYR A 60 11.849 -13.106 1.324 1.00 0.00 C ATOM 911 OH TYR A 60 11.198 -12.986 0.113 1.00 0.00 O ATOM 0 H TYR A 60 14.143 -15.416 3.676 1.00 0.00 H new ATOM 0 HA TYR A 60 14.175 -15.026 6.619 1.00 0.00 H new ATOM 0 HB2 TYR A 60 13.531 -12.722 5.798 1.00 0.00 H new ATOM 0 HB3 TYR A 60 14.957 -13.314 4.967 1.00 0.00 H new ATOM 0 HD1 TYR A 60 11.229 -13.083 4.671 1.00 0.00 H new ATOM 0 HD2 TYR A 60 14.964 -13.591 2.609 1.00 0.00 H new ATOM 0 HE1 TYR A 60 10.058 -12.867 2.494 1.00 0.00 H new ATOM 0 HE2 TYR A 60 13.792 -13.375 0.433 1.00 0.00 H new ATOM 0 HH TYR A 60 11.847 -13.065 -0.617 1.00 0.00 H new ATOM 921 N ALA A 61 11.456 -15.695 5.030 1.00 0.00 N ATOM 922 CA ALA A 61 10.002 -15.940 5.241 1.00 0.00 C ATOM 923 C ALA A 61 9.806 -16.721 6.537 1.00 0.00 C ATOM 924 O ALA A 61 8.910 -16.446 7.312 1.00 0.00 O ATOM 925 CB ALA A 61 9.558 -16.771 4.037 1.00 0.00 C ATOM 0 H ALA A 61 11.829 -16.028 4.141 1.00 0.00 H new ATOM 0 HA ALA A 61 9.426 -15.019 5.324 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.494 -16.993 4.120 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.741 -16.210 3.120 1.00 0.00 H new ATOM 0 HB3 ALA A 61 10.122 -17.703 4.011 1.00 0.00 H new ATOM 931 N ALA A 62 10.650 -17.682 6.790 1.00 0.00 N ATOM 932 CA ALA A 62 10.521 -18.465 8.049 1.00 0.00 C ATOM 933 C ALA A 62 10.614 -17.513 9.237 1.00 0.00 C ATOM 934 O ALA A 62 10.001 -17.715 10.266 1.00 0.00 O ATOM 935 CB ALA A 62 11.697 -19.442 8.039 1.00 0.00 C ATOM 0 H ALA A 62 11.421 -17.958 6.182 1.00 0.00 H new ATOM 0 HA ALA A 62 9.571 -18.995 8.125 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.668 -20.055 8.940 1.00 0.00 H new ATOM 0 HB2 ALA A 62 11.629 -20.084 7.161 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.633 -18.884 8.010 1.00 0.00 H new ATOM 941 N PHE A 63 11.377 -16.471 9.087 1.00 0.00 N ATOM 942 CA PHE A 63 11.525 -15.479 10.188 1.00 0.00 C ATOM 943 C PHE A 63 10.160 -14.895 10.561 1.00 0.00 C ATOM 944 O PHE A 63 9.820 -14.777 11.722 1.00 0.00 O ATOM 945 CB PHE A 63 12.429 -14.390 9.607 1.00 0.00 C ATOM 946 CG PHE A 63 13.197 -13.722 10.721 1.00 0.00 C ATOM 947 CD1 PHE A 63 14.340 -14.335 11.249 1.00 0.00 C ATOM 948 CD2 PHE A 63 12.767 -12.490 11.226 1.00 0.00 C ATOM 949 CE1 PHE A 63 15.051 -13.713 12.282 1.00 0.00 C ATOM 950 CE2 PHE A 63 13.480 -11.870 12.260 1.00 0.00 C ATOM 951 CZ PHE A 63 14.621 -12.485 12.786 1.00 0.00 C ATOM 0 H PHE A 63 11.910 -16.260 8.243 1.00 0.00 H new ATOM 0 HA PHE A 63 11.939 -15.921 11.094 1.00 0.00 H new ATOM 0 HB2 PHE A 63 13.120 -14.824 8.885 1.00 0.00 H new ATOM 0 HB3 PHE A 63 11.830 -13.653 9.072 1.00 0.00 H new ATOM 0 HD1 PHE A 63 14.672 -15.286 10.860 1.00 0.00 H new ATOM 0 HD2 PHE A 63 11.886 -12.017 10.819 1.00 0.00 H new ATOM 0 HE1 PHE A 63 15.933 -14.184 12.689 1.00 0.00 H new ATOM 0 HE2 PHE A 63 13.149 -10.919 12.650 1.00 0.00 H new ATOM 0 HZ PHE A 63 15.170 -12.008 13.584 1.00 0.00 H new ATOM 961 N SER A 64 9.374 -14.526 9.585 1.00 0.00 N ATOM 962 CA SER A 64 8.033 -13.945 9.884 1.00 0.00 C ATOM 963 C SER A 64 7.075 -15.032 10.385 1.00 0.00 C ATOM 964 O SER A 64 6.355 -14.841 11.344 1.00 0.00 O ATOM 965 CB SER A 64 7.547 -13.373 8.553 1.00 0.00 C ATOM 966 OG SER A 64 7.252 -14.441 7.663 1.00 0.00 O ATOM 0 H SER A 64 9.603 -14.602 8.594 1.00 0.00 H new ATOM 0 HA SER A 64 8.079 -13.186 10.665 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.660 -12.759 8.710 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.310 -12.725 8.122 1.00 0.00 H new ATOM 0 HG SER A 64 8.053 -14.991 7.535 1.00 0.00 H new ATOM 972 N SER A 65 7.055 -16.166 9.738 1.00 0.00 N ATOM 973 CA SER A 65 6.136 -17.258 10.176 1.00 0.00 C ATOM 974 C SER A 65 6.577 -17.822 11.531 1.00 0.00 C ATOM 975 O SER A 65 5.763 -18.106 12.388 1.00 0.00 O ATOM 976 CB SER A 65 6.249 -18.329 9.091 1.00 0.00 C ATOM 977 OG SER A 65 5.399 -19.420 9.418 1.00 0.00 O ATOM 0 H SER A 65 7.634 -16.384 8.927 1.00 0.00 H new ATOM 0 HA SER A 65 5.112 -16.905 10.301 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.970 -17.913 8.123 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.281 -18.670 9.006 1.00 0.00 H new ATOM 0 HG SER A 65 5.468 -20.108 8.723 1.00 0.00 H new ATOM 983 N ALA A 66 7.855 -17.994 11.729 1.00 0.00 N ATOM 984 CA ALA A 66 8.340 -18.547 13.028 1.00 0.00 C ATOM 985 C ALA A 66 8.172 -17.517 14.148 1.00 0.00 C ATOM 986 O ALA A 66 7.887 -17.858 15.279 1.00 0.00 O ATOM 987 CB ALA A 66 9.819 -18.852 12.799 1.00 0.00 C ATOM 0 H ALA A 66 8.584 -17.776 11.050 1.00 0.00 H new ATOM 0 HA ALA A 66 7.780 -19.432 13.331 1.00 0.00 H new ATOM 0 HB1 ALA A 66 10.251 -19.264 13.711 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.920 -19.576 11.990 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.343 -17.934 12.532 1.00 0.00 H new ATOM 993 N LEU A 67 8.353 -16.261 13.847 1.00 0.00 N ATOM 994 CA LEU A 67 8.209 -15.215 14.899 1.00 0.00 C ATOM 995 C LEU A 67 6.731 -14.980 15.225 1.00 0.00 C ATOM 996 O LEU A 67 6.357 -14.820 16.369 1.00 0.00 O ATOM 997 CB LEU A 67 8.832 -13.960 14.290 1.00 0.00 C ATOM 998 CG LEU A 67 10.351 -14.015 14.456 1.00 0.00 C ATOM 999 CD1 LEU A 67 11.012 -13.165 13.372 1.00 0.00 C ATOM 1000 CD2 LEU A 67 10.732 -13.470 15.833 1.00 0.00 C ATOM 0 H LEU A 67 8.594 -15.913 12.919 1.00 0.00 H new ATOM 0 HA LEU A 67 8.692 -15.501 15.833 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.573 -13.888 13.234 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.434 -13.070 14.777 1.00 0.00 H new ATOM 0 HG LEU A 67 10.690 -15.047 14.366 1.00 0.00 H new ATOM 0 HD11 LEU A 67 12.095 -13.203 13.489 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.739 -13.551 12.390 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.674 -12.133 13.462 1.00 0.00 H new ATOM 0 HD21 LEU A 67 11.815 -13.509 15.953 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.394 -12.438 15.922 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.260 -14.075 16.607 1.00 0.00 H new ATOM 1012 N TYR A 68 5.888 -14.953 14.229 1.00 0.00 N ATOM 1013 CA TYR A 68 4.438 -14.723 14.488 1.00 0.00 C ATOM 1014 C TYR A 68 3.687 -16.058 14.530 1.00 0.00 C ATOM 1015 O TYR A 68 2.475 -16.096 14.599 1.00 0.00 O ATOM 1016 CB TYR A 68 3.959 -13.873 13.313 1.00 0.00 C ATOM 1017 CG TYR A 68 4.261 -12.419 13.588 1.00 0.00 C ATOM 1018 CD1 TYR A 68 3.586 -11.746 14.614 1.00 0.00 C ATOM 1019 CD2 TYR A 68 5.215 -11.744 12.817 1.00 0.00 C ATOM 1020 CE1 TYR A 68 3.866 -10.398 14.868 1.00 0.00 C ATOM 1021 CE2 TYR A 68 5.494 -10.395 13.072 1.00 0.00 C ATOM 1022 CZ TYR A 68 4.820 -9.723 14.097 1.00 0.00 C ATOM 1023 OH TYR A 68 5.096 -8.394 14.349 1.00 0.00 O ATOM 0 H TYR A 68 6.140 -15.080 13.249 1.00 0.00 H new ATOM 0 HA TYR A 68 4.261 -14.233 15.445 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.453 -14.191 12.395 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.888 -14.011 13.163 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.850 -12.266 15.209 1.00 0.00 H new ATOM 0 HD2 TYR A 68 5.736 -12.263 12.026 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.346 -9.879 15.659 1.00 0.00 H new ATOM 0 HE2 TYR A 68 6.230 -9.874 12.477 1.00 0.00 H new ATOM 0 HH TYR A 68 5.782 -8.078 13.725 1.00 0.00 H new ATOM 1105 N LYS B 8 11.679 3.741 0.152 1.00 0.00 N ATOM 1106 CA LYS B 8 11.334 2.361 -0.299 1.00 0.00 C ATOM 1107 C LYS B 8 12.202 1.332 0.430 1.00 0.00 C ATOM 1108 O LYS B 8 11.746 0.636 1.316 1.00 0.00 O ATOM 1109 CB LYS B 8 11.635 2.347 -1.799 1.00 0.00 C ATOM 1110 CG LYS B 8 10.323 2.308 -2.584 1.00 0.00 C ATOM 1111 CD LYS B 8 9.657 0.944 -2.398 1.00 0.00 C ATOM 1112 CE LYS B 8 8.388 1.104 -1.560 1.00 0.00 C ATOM 1113 NZ LYS B 8 7.334 0.370 -2.315 1.00 0.00 N ATOM 0 HA LYS B 8 10.295 2.107 -0.088 1.00 0.00 H new ATOM 0 HB2 LYS B 8 12.209 3.232 -2.074 1.00 0.00 H new ATOM 0 HB3 LYS B 8 12.247 1.480 -2.050 1.00 0.00 H new ATOM 0 HG2 LYS B 8 9.657 3.099 -2.240 1.00 0.00 H new ATOM 0 HG3 LYS B 8 10.514 2.490 -3.642 1.00 0.00 H new ATOM 0 HD2 LYS B 8 9.412 0.512 -3.368 1.00 0.00 H new ATOM 0 HD3 LYS B 8 10.345 0.256 -1.907 1.00 0.00 H new ATOM 0 HE2 LYS B 8 8.520 0.689 -0.561 1.00 0.00 H new ATOM 0 HE3 LYS B 8 8.126 2.155 -1.437 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 6.431 0.434 -1.802 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 7.226 0.792 -3.260 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 7.608 -0.629 -2.411 1.00 0.00 H new ATOM 1127 N LYS B 9 13.450 1.231 0.063 1.00 0.00 N ATOM 1128 CA LYS B 9 14.349 0.248 0.733 1.00 0.00 C ATOM 1129 C LYS B 9 14.449 0.556 2.230 1.00 0.00 C ATOM 1130 O LYS B 9 14.386 -0.329 3.060 1.00 0.00 O ATOM 1131 CB LYS B 9 15.707 0.432 0.055 1.00 0.00 C ATOM 1132 CG LYS B 9 16.339 -0.937 -0.203 1.00 0.00 C ATOM 1133 CD LYS B 9 17.860 -0.825 -0.093 1.00 0.00 C ATOM 1134 CE LYS B 9 18.351 -1.665 1.088 1.00 0.00 C ATOM 1135 NZ LYS B 9 19.612 -1.006 1.528 1.00 0.00 N ATOM 0 H LYS B 9 13.887 1.787 -0.672 1.00 0.00 H new ATOM 0 HA LYS B 9 13.983 -0.775 0.645 1.00 0.00 H new ATOM 0 HB2 LYS B 9 15.586 0.971 -0.885 1.00 0.00 H new ATOM 0 HB3 LYS B 9 16.362 1.033 0.686 1.00 0.00 H new ATOM 0 HG2 LYS B 9 15.964 -1.664 0.517 1.00 0.00 H new ATOM 0 HG3 LYS B 9 16.061 -1.297 -1.193 1.00 0.00 H new ATOM 0 HD2 LYS B 9 18.328 -1.168 -1.016 1.00 0.00 H new ATOM 0 HD3 LYS B 9 18.149 0.217 0.043 1.00 0.00 H new ATOM 0 HE2 LYS B 9 17.615 -1.686 1.891 1.00 0.00 H new ATOM 0 HE3 LYS B 9 18.528 -2.699 0.791 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 20.011 -1.524 2.336 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 20.296 -1.007 0.745 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 19.411 -0.026 1.811 1.00 0.00 H new ATOM 1149 N ALA B 10 14.604 1.803 2.582 1.00 0.00 N ATOM 1150 CA ALA B 10 14.707 2.160 4.026 1.00 0.00 C ATOM 1151 C ALA B 10 13.446 1.712 4.769 1.00 0.00 C ATOM 1152 O ALA B 10 13.502 1.290 5.906 1.00 0.00 O ATOM 1153 CB ALA B 10 14.836 3.683 4.052 1.00 0.00 C ATOM 0 H ALA B 10 14.664 2.589 1.934 1.00 0.00 H new ATOM 0 HA ALA B 10 15.553 1.675 4.513 1.00 0.00 H new ATOM 0 HB1 ALA B 10 14.917 4.024 5.084 1.00 0.00 H new ATOM 0 HB2 ALA B 10 15.727 3.982 3.500 1.00 0.00 H new ATOM 0 HB3 ALA B 10 13.956 4.131 3.590 1.00 0.00 H new ATOM 1159 N GLU B 11 12.310 1.798 4.134 1.00 0.00 N ATOM 1160 CA GLU B 11 11.047 1.374 4.803 1.00 0.00 C ATOM 1161 C GLU B 11 11.079 -0.133 5.070 1.00 0.00 C ATOM 1162 O GLU B 11 10.658 -0.599 6.111 1.00 0.00 O ATOM 1163 CB GLU B 11 9.936 1.719 3.811 1.00 0.00 C ATOM 1164 CG GLU B 11 9.401 3.122 4.110 1.00 0.00 C ATOM 1165 CD GLU B 11 8.647 3.652 2.889 1.00 0.00 C ATOM 1166 OE1 GLU B 11 7.742 2.971 2.436 1.00 0.00 O ATOM 1167 OE2 GLU B 11 8.988 4.728 2.428 1.00 0.00 O ATOM 0 H GLU B 11 12.201 2.144 3.181 1.00 0.00 H new ATOM 0 HA GLU B 11 10.900 1.868 5.764 1.00 0.00 H new ATOM 0 HB2 GLU B 11 10.318 1.674 2.791 1.00 0.00 H new ATOM 0 HB3 GLU B 11 9.130 0.988 3.883 1.00 0.00 H new ATOM 0 HG2 GLU B 11 8.739 3.093 4.975 1.00 0.00 H new ATOM 0 HG3 GLU B 11 10.224 3.791 4.361 1.00 0.00 H new ATOM 1174 N ALA B 12 11.576 -0.898 4.137 1.00 0.00 N ATOM 1175 CA ALA B 12 11.637 -2.375 4.335 1.00 0.00 C ATOM 1176 C ALA B 12 12.572 -2.715 5.498 1.00 0.00 C ATOM 1177 O ALA B 12 12.264 -3.540 6.334 1.00 0.00 O ATOM 1178 CB ALA B 12 12.190 -2.928 3.022 1.00 0.00 C ATOM 0 H ALA B 12 11.943 -0.564 3.246 1.00 0.00 H new ATOM 0 HA ALA B 12 10.663 -2.800 4.578 1.00 0.00 H new ATOM 0 HB1 ALA B 12 12.265 -4.013 3.087 1.00 0.00 H new ATOM 0 HB2 ALA B 12 11.522 -2.659 2.204 1.00 0.00 H new ATOM 0 HB3 ALA B 12 13.178 -2.506 2.837 1.00 0.00 H new ATOM 1184 N VAL B 13 13.715 -2.085 5.557 1.00 0.00 N ATOM 1185 CA VAL B 13 14.667 -2.377 6.667 1.00 0.00 C ATOM 1186 C VAL B 13 14.032 -2.014 8.012 1.00 0.00 C ATOM 1187 O VAL B 13 14.086 -2.771 8.959 1.00 0.00 O ATOM 1188 CB VAL B 13 15.882 -1.491 6.391 1.00 0.00 C ATOM 1189 CG1 VAL B 13 16.964 -1.766 7.436 1.00 0.00 C ATOM 1190 CG2 VAL B 13 16.432 -1.799 4.998 1.00 0.00 C ATOM 0 H VAL B 13 14.030 -1.383 4.887 1.00 0.00 H new ATOM 0 HA VAL B 13 14.936 -3.432 6.715 1.00 0.00 H new ATOM 0 HB VAL B 13 15.585 -0.444 6.442 1.00 0.00 H new ATOM 0 HG11 VAL B 13 17.830 -1.134 7.238 1.00 0.00 H new ATOM 0 HG12 VAL B 13 16.574 -1.547 8.430 1.00 0.00 H new ATOM 0 HG13 VAL B 13 17.261 -2.814 7.386 1.00 0.00 H new ATOM 0 HG21 VAL B 13 17.298 -1.167 4.801 1.00 0.00 H new ATOM 0 HG22 VAL B 13 16.728 -2.847 4.947 1.00 0.00 H new ATOM 0 HG23 VAL B 13 15.663 -1.603 4.251 1.00 0.00 H new ATOM 1200 N ALA B 14 13.427 -0.860 8.100 1.00 0.00 N ATOM 1201 CA ALA B 14 12.788 -0.452 9.383 1.00 0.00 C ATOM 1202 C ALA B 14 11.729 -1.480 9.792 1.00 0.00 C ATOM 1203 O ALA B 14 11.541 -1.761 10.959 1.00 0.00 O ATOM 1204 CB ALA B 14 12.140 0.903 9.090 1.00 0.00 C ATOM 0 H ALA B 14 13.348 -0.184 7.340 1.00 0.00 H new ATOM 0 HA ALA B 14 13.504 -0.390 10.203 1.00 0.00 H new ATOM 0 HB1 ALA B 14 11.646 1.272 9.989 1.00 0.00 H new ATOM 0 HB2 ALA B 14 12.906 1.613 8.779 1.00 0.00 H new ATOM 0 HB3 ALA B 14 11.405 0.790 8.293 1.00 0.00 H new ATOM 1210 N THR B 15 11.040 -2.047 8.839 1.00 0.00 N ATOM 1211 CA THR B 15 9.998 -3.061 9.174 1.00 0.00 C ATOM 1212 C THR B 15 10.655 -4.308 9.772 1.00 0.00 C ATOM 1213 O THR B 15 10.179 -4.870 10.738 1.00 0.00 O ATOM 1214 CB THR B 15 9.321 -3.393 7.843 1.00 0.00 C ATOM 1215 OG1 THR B 15 9.032 -2.187 7.149 1.00 0.00 O ATOM 1216 CG2 THR B 15 8.024 -4.158 8.106 1.00 0.00 C ATOM 0 H THR B 15 11.153 -1.853 7.844 1.00 0.00 H new ATOM 0 HA THR B 15 9.282 -2.693 9.910 1.00 0.00 H new ATOM 0 HB THR B 15 9.986 -4.010 7.239 1.00 0.00 H new ATOM 0 HG1 THR B 15 9.741 -2.007 6.496 1.00 0.00 H new ATOM 0 HG21 THR B 15 7.542 -4.394 7.157 1.00 0.00 H new ATOM 0 HG22 THR B 15 8.248 -5.082 8.639 1.00 0.00 H new ATOM 0 HG23 THR B 15 7.355 -3.544 8.710 1.00 0.00 H new ATOM 1224 N VAL B 16 11.746 -4.746 9.204 1.00 0.00 N ATOM 1225 CA VAL B 16 12.433 -5.955 9.742 1.00 0.00 C ATOM 1226 C VAL B 16 13.010 -5.659 11.128 1.00 0.00 C ATOM 1227 O VAL B 16 12.909 -6.456 12.039 1.00 0.00 O ATOM 1228 CB VAL B 16 13.555 -6.251 8.748 1.00 0.00 C ATOM 1229 CG1 VAL B 16 14.297 -7.517 9.180 1.00 0.00 C ATOM 1230 CG2 VAL B 16 12.962 -6.459 7.353 1.00 0.00 C ATOM 0 H VAL B 16 12.191 -4.319 8.391 1.00 0.00 H new ATOM 0 HA VAL B 16 11.754 -6.801 9.852 1.00 0.00 H new ATOM 0 HB VAL B 16 14.250 -5.411 8.725 1.00 0.00 H new ATOM 0 HG11 VAL B 16 15.098 -7.729 8.471 1.00 0.00 H new ATOM 0 HG12 VAL B 16 14.721 -7.369 10.173 1.00 0.00 H new ATOM 0 HG13 VAL B 16 13.602 -8.356 9.204 1.00 0.00 H new ATOM 0 HG21 VAL B 16 13.763 -6.670 6.645 1.00 0.00 H new ATOM 0 HG22 VAL B 16 12.267 -7.298 7.375 1.00 0.00 H new ATOM 0 HG23 VAL B 16 12.433 -5.557 7.044 1.00 0.00 H new ATOM 1240 N VAL B 17 13.619 -4.516 11.290 1.00 0.00 N ATOM 1241 CA VAL B 17 14.206 -4.165 12.614 1.00 0.00 C ATOM 1242 C VAL B 17 13.110 -4.109 13.684 1.00 0.00 C ATOM 1243 O VAL B 17 13.266 -4.625 14.773 1.00 0.00 O ATOM 1244 CB VAL B 17 14.829 -2.784 12.413 1.00 0.00 C ATOM 1245 CG1 VAL B 17 15.506 -2.335 13.708 1.00 0.00 C ATOM 1246 CG2 VAL B 17 15.870 -2.855 11.292 1.00 0.00 C ATOM 0 H VAL B 17 13.735 -3.810 10.563 1.00 0.00 H new ATOM 0 HA VAL B 17 14.938 -4.900 12.950 1.00 0.00 H new ATOM 0 HB VAL B 17 14.051 -2.070 12.145 1.00 0.00 H new ATOM 0 HG11 VAL B 17 15.950 -1.350 13.564 1.00 0.00 H new ATOM 0 HG12 VAL B 17 14.766 -2.286 14.507 1.00 0.00 H new ATOM 0 HG13 VAL B 17 16.285 -3.048 13.978 1.00 0.00 H new ATOM 0 HG21 VAL B 17 16.316 -1.871 11.147 1.00 0.00 H new ATOM 0 HG22 VAL B 17 16.648 -3.569 11.562 1.00 0.00 H new ATOM 0 HG23 VAL B 17 15.388 -3.175 10.368 1.00 0.00 H new ATOM 1256 N ALA B 18 12.003 -3.489 13.382 1.00 0.00 N ATOM 1257 CA ALA B 18 10.898 -3.404 14.382 1.00 0.00 C ATOM 1258 C ALA B 18 10.358 -4.801 14.693 1.00 0.00 C ATOM 1259 O ALA B 18 10.114 -5.144 15.833 1.00 0.00 O ATOM 1260 CB ALA B 18 9.823 -2.549 13.710 1.00 0.00 C ATOM 0 H ALA B 18 11.814 -3.037 12.487 1.00 0.00 H new ATOM 0 HA ALA B 18 11.228 -2.975 15.328 1.00 0.00 H new ATOM 0 HB1 ALA B 18 8.973 -2.438 14.383 1.00 0.00 H new ATOM 0 HB2 ALA B 18 10.232 -1.566 13.478 1.00 0.00 H new ATOM 0 HB3 ALA B 18 9.496 -3.033 12.789 1.00 0.00 H new ATOM 1266 N ALA B 19 10.169 -5.610 13.687 1.00 0.00 N ATOM 1267 CA ALA B 19 9.642 -6.986 13.923 1.00 0.00 C ATOM 1268 C ALA B 19 10.643 -7.802 14.745 1.00 0.00 C ATOM 1269 O ALA B 19 10.272 -8.546 15.631 1.00 0.00 O ATOM 1270 CB ALA B 19 9.474 -7.589 12.529 1.00 0.00 C ATOM 0 H ALA B 19 10.356 -5.379 12.711 1.00 0.00 H new ATOM 0 HA ALA B 19 8.705 -6.980 14.480 1.00 0.00 H new ATOM 0 HB1 ALA B 19 9.089 -8.605 12.616 1.00 0.00 H new ATOM 0 HB2 ALA B 19 8.774 -6.984 11.953 1.00 0.00 H new ATOM 0 HB3 ALA B 19 10.439 -7.609 12.023 1.00 0.00 H new ATOM 1276 N VAL B 20 11.911 -7.669 14.461 1.00 0.00 N ATOM 1277 CA VAL B 20 12.931 -8.439 15.229 1.00 0.00 C ATOM 1278 C VAL B 20 12.983 -7.945 16.676 1.00 0.00 C ATOM 1279 O VAL B 20 13.063 -8.724 17.606 1.00 0.00 O ATOM 1280 CB VAL B 20 14.256 -8.158 14.521 1.00 0.00 C ATOM 1281 CG1 VAL B 20 15.386 -8.901 15.237 1.00 0.00 C ATOM 1282 CG2 VAL B 20 14.170 -8.640 13.071 1.00 0.00 C ATOM 0 H VAL B 20 12.284 -7.061 13.732 1.00 0.00 H new ATOM 0 HA VAL B 20 12.705 -9.505 15.263 1.00 0.00 H new ATOM 0 HB VAL B 20 14.457 -7.087 14.539 1.00 0.00 H new ATOM 0 HG11 VAL B 20 16.331 -8.700 14.732 1.00 0.00 H new ATOM 0 HG12 VAL B 20 15.448 -8.560 16.271 1.00 0.00 H new ATOM 0 HG13 VAL B 20 15.186 -9.972 15.219 1.00 0.00 H new ATOM 0 HG21 VAL B 20 15.114 -8.440 12.565 1.00 0.00 H new ATOM 0 HG22 VAL B 20 13.969 -9.711 13.055 1.00 0.00 H new ATOM 0 HG23 VAL B 20 13.365 -8.112 12.559 1.00 0.00 H new ATOM 1292 N ASP B 21 12.938 -6.656 16.874 1.00 0.00 N ATOM 1293 CA ASP B 21 12.983 -6.112 18.261 1.00 0.00 C ATOM 1294 C ASP B 21 11.757 -6.577 19.049 1.00 0.00 C ATOM 1295 O ASP B 21 11.848 -6.916 20.212 1.00 0.00 O ATOM 1296 CB ASP B 21 12.969 -4.593 18.093 1.00 0.00 C ATOM 1297 CG ASP B 21 13.819 -3.952 19.192 1.00 0.00 C ATOM 1298 OD1 ASP B 21 13.833 -4.486 20.289 1.00 0.00 O ATOM 1299 OD2 ASP B 21 14.441 -2.939 18.919 1.00 0.00 O ATOM 0 H ASP B 21 12.872 -5.956 16.135 1.00 0.00 H new ATOM 0 HA ASP B 21 13.861 -6.452 18.810 1.00 0.00 H new ATOM 0 HB2 ASP B 21 13.358 -4.321 17.112 1.00 0.00 H new ATOM 0 HB3 ASP B 21 11.946 -4.220 18.145 1.00 0.00 H new ATOM 1304 N GLN B 22 10.612 -6.598 18.425 1.00 0.00 N ATOM 1305 CA GLN B 22 9.384 -7.044 19.142 1.00 0.00 C ATOM 1306 C GLN B 22 9.613 -8.428 19.753 1.00 0.00 C ATOM 1307 O GLN B 22 9.361 -8.653 20.920 1.00 0.00 O ATOM 1308 CB GLN B 22 8.294 -7.103 18.070 1.00 0.00 C ATOM 1309 CG GLN B 22 6.928 -6.858 18.718 1.00 0.00 C ATOM 1310 CD GLN B 22 5.911 -6.469 17.645 1.00 0.00 C ATOM 1311 OE1 GLN B 22 6.218 -5.713 16.745 1.00 0.00 O ATOM 1312 NE2 GLN B 22 4.701 -6.958 17.702 1.00 0.00 N ATOM 0 H GLN B 22 10.473 -6.326 17.452 1.00 0.00 H new ATOM 0 HA GLN B 22 9.112 -6.373 19.957 1.00 0.00 H new ATOM 0 HB2 GLN B 22 8.484 -6.354 17.301 1.00 0.00 H new ATOM 0 HB3 GLN B 22 8.306 -8.075 17.577 1.00 0.00 H new ATOM 0 HG2 GLN B 22 6.596 -7.756 19.239 1.00 0.00 H new ATOM 0 HG3 GLN B 22 7.005 -6.067 19.464 1.00 0.00 H new ATOM 0 HE21 GLN B 22 4.443 -7.593 18.457 1.00 0.00 H new ATOM 0 HE22 GLN B 22 4.015 -6.705 16.991 1.00 0.00 H new ATOM 1321 N ALA B 23 10.099 -9.358 18.974 1.00 0.00 N ATOM 1322 CA ALA B 23 10.351 -10.723 19.515 1.00 0.00 C ATOM 1323 C ALA B 23 11.324 -10.642 20.693 1.00 0.00 C ATOM 1324 O ALA B 23 11.148 -11.291 21.705 1.00 0.00 O ATOM 1325 CB ALA B 23 10.975 -11.502 18.356 1.00 0.00 C ATOM 0 H ALA B 23 10.331 -9.231 17.989 1.00 0.00 H new ATOM 0 HA ALA B 23 9.442 -11.201 19.880 1.00 0.00 H new ATOM 0 HB1 ALA B 23 11.190 -12.521 18.677 1.00 0.00 H new ATOM 0 HB2 ALA B 23 10.280 -11.525 17.517 1.00 0.00 H new ATOM 0 HB3 ALA B 23 11.900 -11.016 18.047 1.00 0.00 H new ATOM 1331 N ARG B 24 12.349 -9.844 20.569 1.00 0.00 N ATOM 1332 CA ARG B 24 13.334 -9.714 21.679 1.00 0.00 C ATOM 1333 C ARG B 24 12.637 -9.194 22.939 1.00 0.00 C ATOM 1334 O ARG B 24 12.806 -9.726 24.018 1.00 0.00 O ATOM 1335 CB ARG B 24 14.364 -8.700 21.177 1.00 0.00 C ATOM 1336 CG ARG B 24 15.770 -9.287 21.317 1.00 0.00 C ATOM 1337 CD ARG B 24 16.800 -8.278 20.803 1.00 0.00 C ATOM 1338 NE ARG B 24 16.631 -7.079 21.669 1.00 0.00 N ATOM 1339 CZ ARG B 24 17.109 -5.923 21.291 1.00 0.00 C ATOM 1340 NH1 ARG B 24 17.758 -5.819 20.163 1.00 0.00 N ATOM 1341 NH2 ARG B 24 16.941 -4.870 22.045 1.00 0.00 N ATOM 0 H ARG B 24 12.547 -9.276 19.745 1.00 0.00 H new ATOM 0 HA ARG B 24 13.795 -10.667 21.939 1.00 0.00 H new ATOM 0 HB2 ARG B 24 14.165 -8.450 20.135 1.00 0.00 H new ATOM 0 HB3 ARG B 24 14.287 -7.774 21.748 1.00 0.00 H new ATOM 0 HG2 ARG B 24 15.972 -9.529 22.360 1.00 0.00 H new ATOM 0 HG3 ARG B 24 15.845 -10.217 20.754 1.00 0.00 H new ATOM 0 HD2 ARG B 24 17.812 -8.676 20.874 1.00 0.00 H new ATOM 0 HD3 ARG B 24 16.626 -8.035 19.755 1.00 0.00 H new ATOM 0 HE ARG B 24 16.141 -7.160 22.560 1.00 0.00 H new ATOM 0 HH11 ARG B 24 17.893 -6.641 19.575 1.00 0.00 H new ATOM 0 HH12 ARG B 24 18.130 -4.916 19.870 1.00 0.00 H new ATOM 0 HH21 ARG B 24 16.437 -4.950 22.928 1.00 0.00 H new ATOM 0 HH22 ARG B 24 17.314 -3.967 21.751 1.00 0.00 H new