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 -28:sc= 0.93 USER MOD Single : A 9 GLN : amide:sc= -1.4 K(o=-1.4,f=-5.9!) USER MOD Single : A 13 SER OG : rot -66:sc= 0.356 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= -2.08 K(o=-2.1,f=-5!) USER MOD Single : A 39 GLN : amide:sc=-0.00262 K(o=-0.0026,f=-0.67) USER MOD Single : A 40 TYR OH : rot 150:sc= -0.47 USER MOD Single : A 41 CYS SG : rot 87:sc= -0.421 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -132:sc= -8.25! (180deg=-9.95!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 120:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 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 180:sc= 0.074 USER MOD Single : B 22 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 66 N THR A 6 1.002 -7.502 9.129 1.00 0.00 N ATOM 67 CA THR A 6 2.202 -7.561 10.012 1.00 0.00 C ATOM 68 C THR A 6 3.191 -8.607 9.491 1.00 0.00 C ATOM 69 O THR A 6 4.274 -8.283 9.046 1.00 0.00 O ATOM 70 CB THR A 6 1.664 -7.969 11.385 1.00 0.00 C ATOM 71 OG1 THR A 6 0.407 -8.612 11.225 1.00 0.00 O ATOM 72 CG2 THR A 6 1.497 -6.725 12.259 1.00 0.00 C ATOM 0 HA THR A 6 2.735 -6.611 10.049 1.00 0.00 H new ATOM 0 HB THR A 6 2.365 -8.653 11.863 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.035 -8.271 10.419 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.114 -7.016 13.237 1.00 0.00 H new ATOM 0 HG22 THR A 6 2.462 -6.233 12.379 1.00 0.00 H new ATOM 0 HG23 THR A 6 0.796 -6.038 11.784 1.00 0.00 H new ATOM 80 N ALA A 7 2.826 -9.859 9.539 1.00 0.00 N ATOM 81 CA ALA A 7 3.745 -10.922 9.043 1.00 0.00 C ATOM 82 C ALA A 7 3.986 -10.741 7.543 1.00 0.00 C ATOM 83 O ALA A 7 5.110 -10.728 7.081 1.00 0.00 O ATOM 84 CB ALA A 7 3.016 -12.239 9.315 1.00 0.00 C ATOM 0 H ALA A 7 1.932 -10.191 9.900 1.00 0.00 H new ATOM 0 HA ALA A 7 4.719 -10.891 9.532 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.631 -13.072 8.976 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.829 -12.337 10.384 1.00 0.00 H new ATOM 0 HB3 ALA A 7 2.067 -12.247 8.779 1.00 0.00 H new ATOM 90 N GLU A 8 2.937 -10.595 6.782 1.00 0.00 N ATOM 91 CA GLU A 8 3.101 -10.407 5.313 1.00 0.00 C ATOM 92 C GLU A 8 4.029 -9.222 5.039 1.00 0.00 C ATOM 93 O GLU A 8 4.814 -9.236 4.112 1.00 0.00 O ATOM 94 CB GLU A 8 1.694 -10.121 4.789 1.00 0.00 C ATOM 95 CG GLU A 8 1.432 -10.964 3.541 1.00 0.00 C ATOM 96 CD GLU A 8 2.385 -10.534 2.425 1.00 0.00 C ATOM 97 OE1 GLU A 8 3.581 -10.699 2.598 1.00 0.00 O ATOM 98 OE2 GLU A 8 1.902 -10.047 1.416 1.00 0.00 O ATOM 0 H GLU A 8 1.973 -10.598 7.114 1.00 0.00 H new ATOM 0 HA GLU A 8 3.543 -11.278 4.829 1.00 0.00 H new ATOM 0 HB2 GLU A 8 0.955 -10.350 5.557 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.591 -9.062 4.553 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.573 -12.021 3.767 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.398 -10.843 3.218 1.00 0.00 H new ATOM 105 N GLN A 9 3.944 -8.193 5.839 1.00 0.00 N ATOM 106 CA GLN A 9 4.820 -7.006 5.624 1.00 0.00 C ATOM 107 C GLN A 9 6.292 -7.404 5.759 1.00 0.00 C ATOM 108 O GLN A 9 7.143 -6.921 5.039 1.00 0.00 O ATOM 109 CB GLN A 9 4.429 -6.020 6.724 1.00 0.00 C ATOM 110 CG GLN A 9 4.778 -4.597 6.283 1.00 0.00 C ATOM 111 CD GLN A 9 3.761 -4.119 5.245 1.00 0.00 C ATOM 112 OE1 GLN A 9 3.461 -4.825 4.303 1.00 0.00 O ATOM 113 NE2 GLN A 9 3.214 -2.942 5.379 1.00 0.00 N ATOM 0 H GLN A 9 3.306 -8.123 6.632 1.00 0.00 H new ATOM 0 HA GLN A 9 4.697 -6.577 4.630 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.362 -6.096 6.932 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.952 -6.264 7.648 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.777 -3.928 7.143 1.00 0.00 H new ATOM 0 HG3 GLN A 9 5.783 -4.572 5.861 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.466 -2.350 6.170 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.534 -2.614 4.693 1.00 0.00 H new ATOM 122 N VAL A 10 6.600 -8.285 6.672 1.00 0.00 N ATOM 123 CA VAL A 10 8.017 -8.712 6.844 1.00 0.00 C ATOM 124 C VAL A 10 8.550 -9.295 5.532 1.00 0.00 C ATOM 125 O VAL A 10 9.654 -9.006 5.115 1.00 0.00 O ATOM 126 CB VAL A 10 7.981 -9.781 7.934 1.00 0.00 C ATOM 127 CG1 VAL A 10 9.398 -10.302 8.187 1.00 0.00 C ATOM 128 CG2 VAL A 10 7.425 -9.173 9.223 1.00 0.00 C ATOM 0 H VAL A 10 5.933 -8.726 7.305 1.00 0.00 H new ATOM 0 HA VAL A 10 8.671 -7.883 7.114 1.00 0.00 H new ATOM 0 HB VAL A 10 7.343 -10.605 7.614 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.372 -11.065 8.965 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.796 -10.734 7.269 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.037 -9.479 8.508 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.398 -9.934 10.002 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.064 -8.349 9.542 1.00 0.00 H new ATOM 0 HG23 VAL A 10 6.416 -8.801 9.044 1.00 0.00 H new ATOM 138 N ILE A 11 7.769 -10.109 4.875 1.00 0.00 N ATOM 139 CA ILE A 11 8.226 -10.701 3.587 1.00 0.00 C ATOM 140 C ILE A 11 8.453 -9.588 2.565 1.00 0.00 C ATOM 141 O ILE A 11 9.481 -9.523 1.919 1.00 0.00 O ATOM 142 CB ILE A 11 7.089 -11.621 3.141 1.00 0.00 C ATOM 143 CG1 ILE A 11 7.017 -12.832 4.075 1.00 0.00 C ATOM 144 CG2 ILE A 11 7.349 -12.097 1.711 1.00 0.00 C ATOM 145 CD1 ILE A 11 5.711 -12.786 4.870 1.00 0.00 C ATOM 0 H ILE A 11 6.835 -10.389 5.175 1.00 0.00 H new ATOM 0 HA ILE A 11 9.164 -11.246 3.687 1.00 0.00 H new ATOM 0 HB ILE A 11 6.146 -11.076 3.177 1.00 0.00 H new ATOM 0 HG12 ILE A 11 7.071 -13.754 3.497 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.869 -12.832 4.755 1.00 0.00 H new ATOM 0 HG21 ILE A 11 6.539 -12.753 1.393 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.402 -11.236 1.045 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.292 -12.642 1.675 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.659 -13.648 5.535 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.676 -11.870 5.460 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.866 -12.807 4.182 1.00 0.00 H new ATOM 157 N ALA A 12 7.506 -8.699 2.422 1.00 0.00 N ATOM 158 CA ALA A 12 7.682 -7.583 1.454 1.00 0.00 C ATOM 159 C ALA A 12 8.943 -6.802 1.816 1.00 0.00 C ATOM 160 O ALA A 12 9.729 -6.438 0.964 1.00 0.00 O ATOM 161 CB ALA A 12 6.437 -6.710 1.619 1.00 0.00 C ATOM 0 H ALA A 12 6.623 -8.699 2.932 1.00 0.00 H new ATOM 0 HA ALA A 12 7.792 -7.926 0.425 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.494 -5.863 0.936 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.548 -7.299 1.394 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.381 -6.346 2.645 1.00 0.00 H new ATOM 167 N SER A 13 9.151 -6.559 3.081 1.00 0.00 N ATOM 168 CA SER A 13 10.373 -5.823 3.504 1.00 0.00 C ATOM 169 C SER A 13 11.601 -6.686 3.213 1.00 0.00 C ATOM 170 O SER A 13 12.626 -6.201 2.777 1.00 0.00 O ATOM 171 CB SER A 13 10.208 -5.605 5.008 1.00 0.00 C ATOM 172 OG SER A 13 10.744 -6.719 5.706 1.00 0.00 O ATOM 0 H SER A 13 8.528 -6.838 3.838 1.00 0.00 H new ATOM 0 HA SER A 13 10.503 -4.877 2.978 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.718 -4.691 5.313 1.00 0.00 H new ATOM 0 HB3 SER A 13 9.154 -5.479 5.255 1.00 0.00 H new ATOM 0 HG SER A 13 10.208 -7.516 5.512 1.00 0.00 H new ATOM 178 N PHE A 14 11.497 -7.970 3.437 1.00 0.00 N ATOM 179 CA PHE A 14 12.650 -8.871 3.154 1.00 0.00 C ATOM 180 C PHE A 14 12.879 -8.949 1.644 1.00 0.00 C ATOM 181 O PHE A 14 13.998 -8.914 1.171 1.00 0.00 O ATOM 182 CB PHE A 14 12.239 -10.234 3.712 1.00 0.00 C ATOM 183 CG PHE A 14 12.935 -10.469 5.031 1.00 0.00 C ATOM 184 CD1 PHE A 14 14.331 -10.552 5.080 1.00 0.00 C ATOM 185 CD2 PHE A 14 12.183 -10.600 6.206 1.00 0.00 C ATOM 186 CE1 PHE A 14 14.977 -10.768 6.303 1.00 0.00 C ATOM 187 CE2 PHE A 14 12.829 -10.815 7.429 1.00 0.00 C ATOM 188 CZ PHE A 14 14.226 -10.899 7.478 1.00 0.00 C ATOM 0 H PHE A 14 10.664 -8.432 3.803 1.00 0.00 H new ATOM 0 HA PHE A 14 13.579 -8.520 3.604 1.00 0.00 H new ATOM 0 HB2 PHE A 14 11.158 -10.273 3.847 1.00 0.00 H new ATOM 0 HB3 PHE A 14 12.500 -11.022 3.005 1.00 0.00 H new ATOM 0 HD1 PHE A 14 14.910 -10.449 4.174 1.00 0.00 H new ATOM 0 HD2 PHE A 14 11.106 -10.535 6.168 1.00 0.00 H new ATOM 0 HE1 PHE A 14 16.054 -10.834 6.341 1.00 0.00 H new ATOM 0 HE2 PHE A 14 12.250 -10.916 8.335 1.00 0.00 H new ATOM 0 HZ PHE A 14 14.724 -11.065 8.422 1.00 0.00 H new ATOM 198 N ARG A 15 11.823 -9.046 0.883 1.00 0.00 N ATOM 199 CA ARG A 15 11.973 -9.114 -0.597 1.00 0.00 C ATOM 200 C ARG A 15 12.800 -7.923 -1.085 1.00 0.00 C ATOM 201 O ARG A 15 13.686 -8.060 -1.905 1.00 0.00 O ATOM 202 CB ARG A 15 10.546 -9.038 -1.143 1.00 0.00 C ATOM 203 CG ARG A 15 10.428 -9.904 -2.399 1.00 0.00 C ATOM 204 CD ARG A 15 8.951 -10.163 -2.704 1.00 0.00 C ATOM 205 NE ARG A 15 8.906 -10.473 -4.162 1.00 0.00 N ATOM 206 CZ ARG A 15 7.769 -10.451 -4.803 1.00 0.00 C ATOM 207 NH1 ARG A 15 6.666 -10.150 -4.174 1.00 0.00 N ATOM 208 NH2 ARG A 15 7.734 -10.731 -6.077 1.00 0.00 N ATOM 0 H ARG A 15 10.862 -9.081 1.223 1.00 0.00 H new ATOM 0 HA ARG A 15 12.484 -10.019 -0.926 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.838 -9.378 -0.387 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.290 -8.005 -1.377 1.00 0.00 H new ATOM 0 HG2 ARG A 15 10.903 -9.405 -3.244 1.00 0.00 H new ATOM 0 HG3 ARG A 15 10.951 -10.849 -2.252 1.00 0.00 H new ATOM 0 HD2 ARG A 15 8.566 -10.993 -2.112 1.00 0.00 H new ATOM 0 HD3 ARG A 15 8.340 -9.292 -2.467 1.00 0.00 H new ATOM 0 HE ARG A 15 9.766 -10.703 -4.660 1.00 0.00 H new ATOM 0 HH11 ARG A 15 6.690 -9.931 -3.178 1.00 0.00 H new ATOM 0 HH12 ARG A 15 5.780 -10.134 -4.678 1.00 0.00 H new ATOM 0 HH21 ARG A 15 8.595 -10.967 -6.571 1.00 0.00 H new ATOM 0 HH22 ARG A 15 6.846 -10.714 -6.579 1.00 0.00 H new ATOM 222 N ILE A 16 12.518 -6.754 -0.577 1.00 0.00 N ATOM 223 CA ILE A 16 13.289 -5.552 -1.000 1.00 0.00 C ATOM 224 C ILE A 16 14.760 -5.715 -0.612 1.00 0.00 C ATOM 225 O ILE A 16 15.652 -5.443 -1.390 1.00 0.00 O ATOM 226 CB ILE A 16 12.658 -4.389 -0.234 1.00 0.00 C ATOM 227 CG1 ILE A 16 11.252 -4.123 -0.778 1.00 0.00 C ATOM 228 CG2 ILE A 16 13.515 -3.136 -0.408 1.00 0.00 C ATOM 229 CD1 ILE A 16 10.588 -3.018 0.043 1.00 0.00 C ATOM 0 H ILE A 16 11.787 -6.580 0.113 1.00 0.00 H new ATOM 0 HA ILE A 16 13.257 -5.393 -2.078 1.00 0.00 H new ATOM 0 HB ILE A 16 12.598 -4.643 0.824 1.00 0.00 H new ATOM 0 HG12 ILE A 16 11.306 -3.829 -1.826 1.00 0.00 H new ATOM 0 HG13 ILE A 16 10.655 -5.034 -0.732 1.00 0.00 H new ATOM 0 HG21 ILE A 16 13.064 -2.308 0.139 1.00 0.00 H new ATOM 0 HG22 ILE A 16 14.517 -3.324 -0.021 1.00 0.00 H new ATOM 0 HG23 ILE A 16 13.577 -2.882 -1.466 1.00 0.00 H new ATOM 0 HD11 ILE A 16 9.587 -2.829 -0.344 1.00 0.00 H new ATOM 0 HD12 ILE A 16 10.521 -3.330 1.085 1.00 0.00 H new ATOM 0 HD13 ILE A 16 11.182 -2.107 -0.026 1.00 0.00 H new ATOM 241 N LEU A 17 15.017 -6.163 0.587 1.00 0.00 N ATOM 242 CA LEU A 17 16.430 -6.350 1.024 1.00 0.00 C ATOM 243 C LEU A 17 17.095 -7.441 0.183 1.00 0.00 C ATOM 244 O LEU A 17 18.271 -7.380 -0.115 1.00 0.00 O ATOM 245 CB LEU A 17 16.337 -6.782 2.489 1.00 0.00 C ATOM 246 CG LEU A 17 16.568 -5.572 3.394 1.00 0.00 C ATOM 247 CD1 LEU A 17 15.540 -4.487 3.071 1.00 0.00 C ATOM 248 CD2 LEU A 17 16.418 -5.995 4.857 1.00 0.00 C ATOM 0 H LEU A 17 14.311 -6.407 1.282 1.00 0.00 H new ATOM 0 HA LEU A 17 17.027 -5.446 0.905 1.00 0.00 H new ATOM 0 HB2 LEU A 17 15.358 -7.217 2.689 1.00 0.00 H new ATOM 0 HB3 LEU A 17 17.078 -7.553 2.699 1.00 0.00 H new ATOM 0 HG LEU A 17 17.572 -5.181 3.228 1.00 0.00 H new ATOM 0 HD11 LEU A 17 15.706 -3.625 3.717 1.00 0.00 H new ATOM 0 HD12 LEU A 17 15.645 -4.185 2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.536 -4.877 3.237 1.00 0.00 H new ATOM 0 HD21 LEU A 17 16.582 -5.133 5.504 1.00 0.00 H new ATOM 0 HD22 LEU A 17 15.414 -6.386 5.022 1.00 0.00 H new ATOM 0 HD23 LEU A 17 17.151 -6.768 5.089 1.00 0.00 H new ATOM 260 N ALA A 18 16.349 -8.439 -0.202 1.00 0.00 N ATOM 261 CA ALA A 18 16.934 -9.537 -1.025 1.00 0.00 C ATOM 262 C ALA A 18 17.003 -9.115 -2.496 1.00 0.00 C ATOM 263 O ALA A 18 17.476 -9.849 -3.340 1.00 0.00 O ATOM 264 CB ALA A 18 15.976 -10.714 -0.847 1.00 0.00 C ATOM 0 H ALA A 18 15.358 -8.543 0.017 1.00 0.00 H new ATOM 0 HA ALA A 18 17.950 -9.789 -0.720 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.336 -11.566 -1.423 1.00 0.00 H new ATOM 0 HB2 ALA A 18 15.924 -10.985 0.208 1.00 0.00 H new ATOM 0 HB3 ALA A 18 14.984 -10.432 -1.198 1.00 0.00 H new ATOM 270 N SER A 19 16.536 -7.937 -2.808 1.00 0.00 N ATOM 271 CA SER A 19 16.576 -7.469 -4.224 1.00 0.00 C ATOM 272 C SER A 19 15.795 -8.433 -5.122 1.00 0.00 C ATOM 273 O SER A 19 16.367 -9.207 -5.862 1.00 0.00 O ATOM 274 CB SER A 19 18.058 -7.468 -4.599 1.00 0.00 C ATOM 275 OG SER A 19 18.234 -6.750 -5.814 1.00 0.00 O ATOM 0 H SER A 19 16.129 -7.278 -2.144 1.00 0.00 H new ATOM 0 HA SER A 19 16.124 -6.485 -4.347 1.00 0.00 H new ATOM 0 HB2 SER A 19 18.646 -7.010 -3.804 1.00 0.00 H new ATOM 0 HB3 SER A 19 18.417 -8.491 -4.712 1.00 0.00 H new ATOM 0 HG SER A 19 19.183 -6.746 -6.057 1.00 0.00 H new ATOM 281 N ASP A 20 14.493 -8.390 -5.063 1.00 0.00 N ATOM 282 CA ASP A 20 13.678 -9.302 -5.914 1.00 0.00 C ATOM 283 C ASP A 20 14.208 -10.735 -5.812 1.00 0.00 C ATOM 284 O ASP A 20 14.651 -11.313 -6.785 1.00 0.00 O ATOM 285 CB ASP A 20 13.844 -8.770 -7.338 1.00 0.00 C ATOM 286 CG ASP A 20 12.891 -7.594 -7.558 1.00 0.00 C ATOM 287 OD1 ASP A 20 12.640 -6.873 -6.607 1.00 0.00 O ATOM 288 OD2 ASP A 20 12.428 -7.434 -8.677 1.00 0.00 O ATOM 0 H ASP A 20 13.958 -7.763 -4.462 1.00 0.00 H new ATOM 0 HA ASP A 20 12.632 -9.327 -5.608 1.00 0.00 H new ATOM 0 HB2 ASP A 20 14.874 -8.453 -7.501 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.636 -9.560 -8.059 1.00 0.00 H new ATOM 293 N LYS A 21 14.165 -11.313 -4.643 1.00 0.00 N ATOM 294 CA LYS A 21 14.665 -12.706 -4.481 1.00 0.00 C ATOM 295 C LYS A 21 13.832 -13.446 -3.434 1.00 0.00 C ATOM 296 O LYS A 21 13.427 -12.871 -2.443 1.00 0.00 O ATOM 297 CB LYS A 21 16.112 -12.555 -4.009 1.00 0.00 C ATOM 298 CG LYS A 21 17.004 -12.205 -5.201 1.00 0.00 C ATOM 299 CD LYS A 21 18.293 -13.028 -5.133 1.00 0.00 C ATOM 300 CE LYS A 21 19.377 -12.222 -4.414 1.00 0.00 C ATOM 301 NZ LYS A 21 20.299 -11.771 -5.493 1.00 0.00 N ATOM 0 H LYS A 21 13.805 -10.880 -3.793 1.00 0.00 H new ATOM 0 HA LYS A 21 14.597 -13.281 -5.405 1.00 0.00 H new ATOM 0 HB2 LYS A 21 16.179 -11.775 -3.250 1.00 0.00 H new ATOM 0 HB3 LYS A 21 16.453 -13.481 -3.546 1.00 0.00 H new ATOM 0 HG2 LYS A 21 16.479 -12.409 -6.134 1.00 0.00 H new ATOM 0 HG3 LYS A 21 17.239 -11.141 -5.193 1.00 0.00 H new ATOM 0 HD2 LYS A 21 18.111 -13.965 -4.606 1.00 0.00 H new ATOM 0 HD3 LYS A 21 18.625 -13.287 -6.138 1.00 0.00 H new ATOM 0 HE2 LYS A 21 18.949 -11.374 -3.880 1.00 0.00 H new ATOM 0 HE3 LYS A 21 19.900 -12.832 -3.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 21.071 -11.211 -5.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 20.696 -12.600 -5.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 19.775 -11.187 -6.176 1.00 0.00 H new ATOM 315 N PRO A 22 13.609 -14.704 -3.691 1.00 0.00 N ATOM 316 CA PRO A 22 12.812 -15.506 -2.727 1.00 0.00 C ATOM 317 C PRO A 22 13.665 -15.864 -1.508 1.00 0.00 C ATOM 318 O PRO A 22 13.229 -16.565 -0.617 1.00 0.00 O ATOM 319 CB PRO A 22 12.424 -16.767 -3.502 1.00 0.00 C ATOM 320 CG PRO A 22 13.339 -16.809 -4.681 1.00 0.00 C ATOM 321 CD PRO A 22 13.736 -15.392 -4.980 1.00 0.00 C ATOM 0 HA PRO A 22 11.940 -14.968 -2.355 1.00 0.00 H new ATOM 0 HB2 PRO A 22 12.539 -17.658 -2.884 1.00 0.00 H new ATOM 0 HB3 PRO A 22 11.381 -16.729 -3.816 1.00 0.00 H new ATOM 0 HG2 PRO A 22 14.217 -17.418 -4.466 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.841 -17.259 -5.540 1.00 0.00 H new ATOM 0 HD2 PRO A 22 14.755 -15.336 -5.363 1.00 0.00 H new ATOM 0 HD3 PRO A 22 13.087 -14.947 -5.735 1.00 0.00 H new ATOM 329 N TYR A 23 14.879 -15.385 -1.460 1.00 0.00 N ATOM 330 CA TYR A 23 15.759 -15.700 -0.297 1.00 0.00 C ATOM 331 C TYR A 23 16.721 -14.540 -0.032 1.00 0.00 C ATOM 332 O TYR A 23 16.862 -13.641 -0.837 1.00 0.00 O ATOM 333 CB TYR A 23 16.529 -16.955 -0.707 1.00 0.00 C ATOM 334 CG TYR A 23 17.278 -16.693 -1.991 1.00 0.00 C ATOM 335 CD1 TYR A 23 18.374 -15.823 -1.999 1.00 0.00 C ATOM 336 CD2 TYR A 23 16.876 -17.323 -3.177 1.00 0.00 C ATOM 337 CE1 TYR A 23 19.069 -15.582 -3.190 1.00 0.00 C ATOM 338 CE2 TYR A 23 17.571 -17.082 -4.368 1.00 0.00 C ATOM 339 CZ TYR A 23 18.669 -16.211 -4.375 1.00 0.00 C ATOM 340 OH TYR A 23 19.354 -15.974 -5.548 1.00 0.00 O ATOM 0 H TYR A 23 15.299 -14.790 -2.174 1.00 0.00 H new ATOM 0 HA TYR A 23 15.190 -15.855 0.620 1.00 0.00 H new ATOM 0 HB2 TYR A 23 17.226 -17.240 0.081 1.00 0.00 H new ATOM 0 HB3 TYR A 23 15.840 -17.789 -0.840 1.00 0.00 H new ATOM 0 HD1 TYR A 23 18.684 -15.337 -1.086 1.00 0.00 H new ATOM 0 HD2 TYR A 23 16.030 -17.994 -3.172 1.00 0.00 H new ATOM 0 HE1 TYR A 23 19.915 -14.910 -3.195 1.00 0.00 H new ATOM 0 HE2 TYR A 23 17.261 -17.567 -5.282 1.00 0.00 H new ATOM 0 HH TYR A 23 18.947 -16.490 -6.275 1.00 0.00 H new ATOM 350 N ILE A 24 17.387 -14.553 1.090 1.00 0.00 N ATOM 351 CA ILE A 24 18.341 -13.450 1.405 1.00 0.00 C ATOM 352 C ILE A 24 19.703 -14.032 1.813 1.00 0.00 C ATOM 353 O ILE A 24 19.782 -15.074 2.433 1.00 0.00 O ATOM 354 CB ILE A 24 17.676 -12.677 2.559 1.00 0.00 C ATOM 355 CG1 ILE A 24 17.948 -11.180 2.392 1.00 0.00 C ATOM 356 CG2 ILE A 24 18.219 -13.143 3.916 1.00 0.00 C ATOM 357 CD1 ILE A 24 19.450 -10.944 2.235 1.00 0.00 C ATOM 0 H ILE A 24 17.312 -15.279 1.803 1.00 0.00 H new ATOM 0 HA ILE A 24 18.537 -12.798 0.554 1.00 0.00 H new ATOM 0 HB ILE A 24 16.603 -12.869 2.530 1.00 0.00 H new ATOM 0 HG12 ILE A 24 17.417 -10.799 1.520 1.00 0.00 H new ATOM 0 HG13 ILE A 24 17.573 -10.634 3.257 1.00 0.00 H new ATOM 0 HG21 ILE A 24 17.733 -12.582 4.714 1.00 0.00 H new ATOM 0 HG22 ILE A 24 18.015 -14.206 4.044 1.00 0.00 H new ATOM 0 HG23 ILE A 24 19.295 -12.973 3.955 1.00 0.00 H new ATOM 0 HD11 ILE A 24 19.640 -9.877 2.116 1.00 0.00 H new ATOM 0 HD12 ILE A 24 19.970 -11.309 3.121 1.00 0.00 H new ATOM 0 HD13 ILE A 24 19.812 -11.477 1.356 1.00 0.00 H new ATOM 369 N LEU A 25 20.771 -13.367 1.469 1.00 0.00 N ATOM 370 CA LEU A 25 22.120 -13.883 1.836 1.00 0.00 C ATOM 371 C LEU A 25 22.536 -13.348 3.207 1.00 0.00 C ATOM 372 O LEU A 25 22.133 -12.277 3.616 1.00 0.00 O ATOM 373 CB LEU A 25 23.055 -13.352 0.749 1.00 0.00 C ATOM 374 CG LEU A 25 22.819 -14.124 -0.550 1.00 0.00 C ATOM 375 CD1 LEU A 25 22.950 -13.172 -1.740 1.00 0.00 C ATOM 376 CD2 LEU A 25 23.857 -15.241 -0.675 1.00 0.00 C ATOM 0 H LEU A 25 20.768 -12.489 0.950 1.00 0.00 H new ATOM 0 HA LEU A 25 22.143 -14.971 1.899 1.00 0.00 H new ATOM 0 HB2 LEU A 25 22.877 -12.288 0.590 1.00 0.00 H new ATOM 0 HB3 LEU A 25 24.093 -13.458 1.064 1.00 0.00 H new ATOM 0 HG LEU A 25 21.819 -14.557 -0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 25 22.782 -13.722 -2.666 1.00 0.00 H new ATOM 0 HD12 LEU A 25 22.211 -12.375 -1.652 1.00 0.00 H new ATOM 0 HD13 LEU A 25 23.950 -12.739 -1.751 1.00 0.00 H new ATOM 0 HD21 LEU A 25 23.689 -15.792 -1.601 1.00 0.00 H new ATOM 0 HD22 LEU A 25 24.857 -14.808 -0.686 1.00 0.00 H new ATOM 0 HD23 LEU A 25 23.765 -15.920 0.173 1.00 0.00 H new ATOM 388 N ALA A 26 23.340 -14.085 3.921 1.00 0.00 N ATOM 389 CA ALA A 26 23.784 -13.618 5.265 1.00 0.00 C ATOM 390 C ALA A 26 24.571 -12.312 5.133 1.00 0.00 C ATOM 391 O ALA A 26 24.438 -11.411 5.937 1.00 0.00 O ATOM 392 CB ALA A 26 24.680 -14.735 5.798 1.00 0.00 C ATOM 0 H ALA A 26 23.709 -14.991 3.632 1.00 0.00 H new ATOM 0 HA ALA A 26 22.946 -13.418 5.932 1.00 0.00 H new ATOM 0 HB1 ALA A 26 25.048 -14.465 6.788 1.00 0.00 H new ATOM 0 HB2 ALA A 26 24.108 -15.660 5.863 1.00 0.00 H new ATOM 0 HB3 ALA A 26 25.524 -14.877 5.123 1.00 0.00 H new ATOM 398 N GLU A 27 25.387 -12.202 4.120 1.00 0.00 N ATOM 399 CA GLU A 27 26.177 -10.956 3.932 1.00 0.00 C ATOM 400 C GLU A 27 25.242 -9.781 3.632 1.00 0.00 C ATOM 401 O GLU A 27 25.486 -8.662 4.036 1.00 0.00 O ATOM 402 CB GLU A 27 27.074 -11.248 2.731 1.00 0.00 C ATOM 403 CG GLU A 27 28.035 -12.388 3.071 1.00 0.00 C ATOM 404 CD GLU A 27 29.065 -11.902 4.093 1.00 0.00 C ATOM 405 OE1 GLU A 27 29.780 -10.965 3.783 1.00 0.00 O ATOM 406 OE2 GLU A 27 29.121 -12.477 5.167 1.00 0.00 O ATOM 0 H GLU A 27 25.539 -12.923 3.415 1.00 0.00 H new ATOM 0 HA GLU A 27 26.751 -10.685 4.818 1.00 0.00 H new ATOM 0 HB2 GLU A 27 26.466 -11.517 1.868 1.00 0.00 H new ATOM 0 HB3 GLU A 27 27.636 -10.355 2.459 1.00 0.00 H new ATOM 0 HG2 GLU A 27 27.481 -13.237 3.473 1.00 0.00 H new ATOM 0 HG3 GLU A 27 28.538 -12.734 2.168 1.00 0.00 H new ATOM 413 N GLU A 28 24.173 -10.031 2.925 1.00 0.00 N ATOM 414 CA GLU A 28 23.223 -8.930 2.597 1.00 0.00 C ATOM 415 C GLU A 28 22.628 -8.347 3.881 1.00 0.00 C ATOM 416 O GLU A 28 22.564 -7.147 4.057 1.00 0.00 O ATOM 417 CB GLU A 28 22.133 -9.586 1.749 1.00 0.00 C ATOM 418 CG GLU A 28 22.649 -9.788 0.323 1.00 0.00 C ATOM 419 CD GLU A 28 22.574 -8.465 -0.439 1.00 0.00 C ATOM 420 OE1 GLU A 28 21.516 -8.167 -0.968 1.00 0.00 O ATOM 421 OE2 GLU A 28 23.577 -7.769 -0.481 1.00 0.00 O ATOM 0 H GLU A 28 23.917 -10.949 2.561 1.00 0.00 H new ATOM 0 HA GLU A 28 23.708 -8.108 2.070 1.00 0.00 H new ATOM 0 HB2 GLU A 28 21.847 -10.544 2.183 1.00 0.00 H new ATOM 0 HB3 GLU A 28 21.240 -8.961 1.739 1.00 0.00 H new ATOM 0 HG2 GLU A 28 23.677 -10.149 0.345 1.00 0.00 H new ATOM 0 HG3 GLU A 28 22.055 -10.547 -0.186 1.00 0.00 H new ATOM 428 N LEU A 29 22.193 -9.187 4.780 1.00 0.00 N ATOM 429 CA LEU A 29 21.607 -8.676 6.052 1.00 0.00 C ATOM 430 C LEU A 29 22.643 -7.838 6.805 1.00 0.00 C ATOM 431 O LEU A 29 22.317 -6.860 7.448 1.00 0.00 O ATOM 432 CB LEU A 29 21.243 -9.927 6.853 1.00 0.00 C ATOM 433 CG LEU A 29 20.234 -10.768 6.067 1.00 0.00 C ATOM 434 CD1 LEU A 29 19.632 -11.834 6.984 1.00 0.00 C ATOM 435 CD2 LEU A 29 19.118 -9.865 5.538 1.00 0.00 C ATOM 0 H LEU A 29 22.218 -10.203 4.689 1.00 0.00 H new ATOM 0 HA LEU A 29 20.740 -8.037 5.883 1.00 0.00 H new ATOM 0 HB2 LEU A 29 22.139 -10.513 7.057 1.00 0.00 H new ATOM 0 HB3 LEU A 29 20.821 -9.643 7.817 1.00 0.00 H new ATOM 0 HG LEU A 29 20.740 -11.251 5.231 1.00 0.00 H new ATOM 0 HD11 LEU A 29 18.914 -12.432 6.424 1.00 0.00 H new ATOM 0 HD12 LEU A 29 20.425 -12.479 7.362 1.00 0.00 H new ATOM 0 HD13 LEU A 29 19.127 -11.351 7.821 1.00 0.00 H new ATOM 0 HD21 LEU A 29 18.400 -10.464 4.978 1.00 0.00 H new ATOM 0 HD22 LEU A 29 18.614 -9.382 6.375 1.00 0.00 H new ATOM 0 HD23 LEU A 29 19.545 -9.105 4.883 1.00 0.00 H new ATOM 447 N ARG A 30 23.890 -8.216 6.731 1.00 0.00 N ATOM 448 CA ARG A 30 24.949 -7.446 7.442 1.00 0.00 C ATOM 449 C ARG A 30 25.148 -6.073 6.793 1.00 0.00 C ATOM 450 O ARG A 30 25.417 -5.094 7.463 1.00 0.00 O ATOM 451 CB ARG A 30 26.215 -8.292 7.296 1.00 0.00 C ATOM 452 CG ARG A 30 26.127 -9.512 8.215 1.00 0.00 C ATOM 453 CD ARG A 30 26.688 -9.154 9.594 1.00 0.00 C ATOM 454 NE ARG A 30 28.070 -9.708 9.601 1.00 0.00 N ATOM 455 CZ ARG A 30 28.259 -11.002 9.602 1.00 0.00 C ATOM 456 NH1 ARG A 30 27.237 -11.814 9.591 1.00 0.00 N ATOM 457 NH2 ARG A 30 29.473 -11.481 9.613 1.00 0.00 N ATOM 0 H ARG A 30 24.221 -9.026 6.208 1.00 0.00 H new ATOM 0 HA ARG A 30 24.691 -7.264 8.485 1.00 0.00 H new ATOM 0 HB2 ARG A 30 26.333 -8.612 6.261 1.00 0.00 H new ATOM 0 HB3 ARG A 30 27.093 -7.697 7.548 1.00 0.00 H new ATOM 0 HG2 ARG A 30 25.091 -9.838 8.306 1.00 0.00 H new ATOM 0 HG3 ARG A 30 26.687 -10.344 7.788 1.00 0.00 H new ATOM 0 HD2 ARG A 30 26.694 -8.075 9.750 1.00 0.00 H new ATOM 0 HD3 ARG A 30 26.084 -9.588 10.391 1.00 0.00 H new ATOM 0 HE ARG A 30 28.871 -9.077 9.605 1.00 0.00 H new ATOM 0 HH11 ARG A 30 26.288 -11.440 9.582 1.00 0.00 H new ATOM 0 HH12 ARG A 30 27.387 -12.823 9.592 1.00 0.00 H new ATOM 0 HH21 ARG A 30 30.272 -10.846 9.621 1.00 0.00 H new ATOM 0 HH22 ARG A 30 29.623 -12.490 9.614 1.00 0.00 H new ATOM 471 N ARG A 31 25.027 -5.991 5.496 1.00 0.00 N ATOM 472 CA ARG A 31 25.222 -4.680 4.810 1.00 0.00 C ATOM 473 C ARG A 31 23.896 -3.920 4.707 1.00 0.00 C ATOM 474 O ARG A 31 23.868 -2.705 4.693 1.00 0.00 O ATOM 475 CB ARG A 31 25.740 -5.037 3.417 1.00 0.00 C ATOM 476 CG ARG A 31 26.881 -4.092 3.039 1.00 0.00 C ATOM 477 CD ARG A 31 27.043 -4.070 1.517 1.00 0.00 C ATOM 478 NE ARG A 31 27.809 -2.826 1.230 1.00 0.00 N ATOM 479 CZ ARG A 31 28.430 -2.687 0.090 1.00 0.00 C ATOM 480 NH1 ARG A 31 28.386 -3.639 -0.802 1.00 0.00 N ATOM 481 NH2 ARG A 31 29.098 -1.594 -0.158 1.00 0.00 N ATOM 0 H ARG A 31 24.802 -6.773 4.882 1.00 0.00 H new ATOM 0 HA ARG A 31 25.911 -4.034 5.354 1.00 0.00 H new ATOM 0 HB2 ARG A 31 26.088 -6.070 3.401 1.00 0.00 H new ATOM 0 HB3 ARG A 31 24.934 -4.961 2.687 1.00 0.00 H new ATOM 0 HG2 ARG A 31 26.673 -3.088 3.408 1.00 0.00 H new ATOM 0 HG3 ARG A 31 27.809 -4.418 3.509 1.00 0.00 H new ATOM 0 HD2 ARG A 31 27.576 -4.953 1.164 1.00 0.00 H new ATOM 0 HD3 ARG A 31 26.075 -4.062 1.017 1.00 0.00 H new ATOM 0 HE ARG A 31 27.849 -2.081 1.925 1.00 0.00 H new ATOM 0 HH11 ARG A 31 27.865 -4.495 -0.609 1.00 0.00 H new ATOM 0 HH12 ARG A 31 28.872 -3.527 -1.692 1.00 0.00 H new ATOM 0 HH21 ARG A 31 29.135 -0.850 0.538 1.00 0.00 H new ATOM 0 HH22 ARG A 31 29.584 -1.484 -1.048 1.00 0.00 H new ATOM 495 N GLU A 32 22.799 -4.620 4.627 1.00 0.00 N ATOM 496 CA GLU A 32 21.481 -3.929 4.515 1.00 0.00 C ATOM 497 C GLU A 32 20.874 -3.701 5.901 1.00 0.00 C ATOM 498 O GLU A 32 20.050 -2.828 6.091 1.00 0.00 O ATOM 499 CB GLU A 32 20.607 -4.879 3.697 1.00 0.00 C ATOM 500 CG GLU A 32 20.855 -4.644 2.205 1.00 0.00 C ATOM 501 CD GLU A 32 19.818 -3.658 1.664 1.00 0.00 C ATOM 502 OE1 GLU A 32 19.632 -2.625 2.284 1.00 0.00 O ATOM 503 OE2 GLU A 32 19.226 -3.954 0.639 1.00 0.00 O ATOM 0 H GLU A 32 22.756 -5.639 4.634 1.00 0.00 H new ATOM 0 HA GLU A 32 21.571 -2.948 4.048 1.00 0.00 H new ATOM 0 HB2 GLU A 32 20.834 -5.913 3.956 1.00 0.00 H new ATOM 0 HB3 GLU A 32 19.555 -4.716 3.932 1.00 0.00 H new ATOM 0 HG2 GLU A 32 21.860 -4.252 2.050 1.00 0.00 H new ATOM 0 HG3 GLU A 32 20.793 -5.587 1.662 1.00 0.00 H new ATOM 510 N LEU A 33 21.267 -4.479 6.872 1.00 0.00 N ATOM 511 CA LEU A 33 20.704 -4.305 8.239 1.00 0.00 C ATOM 512 C LEU A 33 21.830 -4.194 9.269 1.00 0.00 C ATOM 513 O LEU A 33 22.855 -4.832 9.139 1.00 0.00 O ATOM 514 CB LEU A 33 19.880 -5.568 8.479 1.00 0.00 C ATOM 515 CG LEU A 33 18.393 -5.247 8.321 1.00 0.00 C ATOM 516 CD1 LEU A 33 17.667 -6.463 7.742 1.00 0.00 C ATOM 517 CD2 LEU A 33 17.798 -4.904 9.687 1.00 0.00 C ATOM 0 H LEU A 33 21.954 -5.227 6.777 1.00 0.00 H new ATOM 0 HA LEU A 33 20.106 -3.398 8.331 1.00 0.00 H new ATOM 0 HB2 LEU A 33 20.172 -6.345 7.772 1.00 0.00 H new ATOM 0 HB3 LEU A 33 20.074 -5.957 9.479 1.00 0.00 H new ATOM 0 HG LEU A 33 18.275 -4.398 7.648 1.00 0.00 H new ATOM 0 HD11 LEU A 33 16.607 -6.234 7.629 1.00 0.00 H new ATOM 0 HD12 LEU A 33 18.090 -6.710 6.768 1.00 0.00 H new ATOM 0 HD13 LEU A 33 17.785 -7.312 8.415 1.00 0.00 H new ATOM 0 HD21 LEU A 33 16.738 -4.675 9.575 1.00 0.00 H new ATOM 0 HD22 LEU A 33 17.917 -5.754 10.359 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.314 -4.038 10.102 1.00 0.00 H new ATOM 529 N PRO A 34 21.593 -3.386 10.266 1.00 0.00 N ATOM 530 CA PRO A 34 22.626 -3.218 11.320 1.00 0.00 C ATOM 531 C PRO A 34 23.114 -4.586 11.801 1.00 0.00 C ATOM 532 O PRO A 34 22.341 -5.517 11.916 1.00 0.00 O ATOM 533 CB PRO A 34 21.913 -2.467 12.450 1.00 0.00 C ATOM 534 CG PRO A 34 20.475 -2.373 12.043 1.00 0.00 C ATOM 535 CD PRO A 34 20.419 -2.563 10.555 1.00 0.00 C ATOM 0 HA PRO A 34 23.504 -2.679 10.963 1.00 0.00 H new ATOM 0 HB2 PRO A 34 22.016 -2.998 13.397 1.00 0.00 H new ATOM 0 HB3 PRO A 34 22.344 -1.476 12.592 1.00 0.00 H new ATOM 0 HG2 PRO A 34 19.882 -3.134 12.550 1.00 0.00 H new ATOM 0 HG3 PRO A 34 20.059 -1.405 12.323 1.00 0.00 H new ATOM 0 HD2 PRO A 34 19.498 -3.058 10.249 1.00 0.00 H new ATOM 0 HD3 PRO A 34 20.459 -1.610 10.028 1.00 0.00 H new ATOM 543 N PRO A 35 24.389 -4.660 12.064 1.00 0.00 N ATOM 544 CA PRO A 35 24.962 -5.950 12.534 1.00 0.00 C ATOM 545 C PRO A 35 24.048 -6.597 13.580 1.00 0.00 C ATOM 546 O PRO A 35 23.944 -7.804 13.665 1.00 0.00 O ATOM 547 CB PRO A 35 26.306 -5.569 13.155 1.00 0.00 C ATOM 548 CG PRO A 35 26.219 -4.102 13.418 1.00 0.00 C ATOM 549 CD PRO A 35 25.260 -3.531 12.413 1.00 0.00 C ATOM 0 HA PRO A 35 25.069 -6.675 11.727 1.00 0.00 H new ATOM 0 HB2 PRO A 35 26.484 -6.123 14.076 1.00 0.00 H new ATOM 0 HB3 PRO A 35 27.130 -5.799 12.480 1.00 0.00 H new ATOM 0 HG2 PRO A 35 25.871 -3.912 14.434 1.00 0.00 H new ATOM 0 HG3 PRO A 35 27.199 -3.635 13.324 1.00 0.00 H new ATOM 0 HD2 PRO A 35 24.689 -2.703 12.833 1.00 0.00 H new ATOM 0 HD3 PRO A 35 25.783 -3.146 11.538 1.00 0.00 H new ATOM 557 N ASP A 36 23.387 -5.805 14.380 1.00 0.00 N ATOM 558 CA ASP A 36 22.487 -6.384 15.420 1.00 0.00 C ATOM 559 C ASP A 36 21.314 -7.117 14.761 1.00 0.00 C ATOM 560 O ASP A 36 20.985 -8.230 15.123 1.00 0.00 O ATOM 561 CB ASP A 36 21.987 -5.183 16.224 1.00 0.00 C ATOM 562 CG ASP A 36 22.004 -5.524 17.716 1.00 0.00 C ATOM 563 OD1 ASP A 36 22.788 -6.377 18.100 1.00 0.00 O ATOM 564 OD2 ASP A 36 21.234 -4.927 18.449 1.00 0.00 O ATOM 0 H ASP A 36 23.430 -4.786 14.359 1.00 0.00 H new ATOM 0 HA ASP A 36 22.999 -7.112 16.050 1.00 0.00 H new ATOM 0 HB2 ASP A 36 22.618 -4.315 16.031 1.00 0.00 H new ATOM 0 HB3 ASP A 36 20.977 -4.918 15.912 1.00 0.00 H new ATOM 569 N GLN A 37 20.681 -6.505 13.798 1.00 0.00 N ATOM 570 CA GLN A 37 19.530 -7.172 13.122 1.00 0.00 C ATOM 571 C GLN A 37 20.021 -8.344 12.266 1.00 0.00 C ATOM 572 O GLN A 37 19.420 -9.400 12.240 1.00 0.00 O ATOM 573 CB GLN A 37 18.907 -6.089 12.241 1.00 0.00 C ATOM 574 CG GLN A 37 17.826 -5.348 13.031 1.00 0.00 C ATOM 575 CD GLN A 37 18.386 -4.919 14.387 1.00 0.00 C ATOM 576 OE1 GLN A 37 18.974 -3.862 14.508 1.00 0.00 O ATOM 577 NE2 GLN A 37 18.229 -5.699 15.421 1.00 0.00 N ATOM 0 H GLN A 37 20.910 -5.574 13.450 1.00 0.00 H new ATOM 0 HA GLN A 37 18.814 -7.580 13.835 1.00 0.00 H new ATOM 0 HB2 GLN A 37 19.674 -5.389 11.909 1.00 0.00 H new ATOM 0 HB3 GLN A 37 18.476 -6.537 11.346 1.00 0.00 H new ATOM 0 HG2 GLN A 37 17.488 -4.475 12.473 1.00 0.00 H new ATOM 0 HG3 GLN A 37 16.958 -5.992 13.172 1.00 0.00 H new ATOM 0 HE21 GLN A 37 17.736 -6.586 15.320 1.00 0.00 H new ATOM 0 HE22 GLN A 37 18.599 -5.422 16.330 1.00 0.00 H new ATOM 586 N ALA A 38 21.103 -8.163 11.559 1.00 0.00 N ATOM 587 CA ALA A 38 21.628 -9.262 10.697 1.00 0.00 C ATOM 588 C ALA A 38 21.878 -10.525 11.526 1.00 0.00 C ATOM 589 O ALA A 38 21.567 -11.623 11.110 1.00 0.00 O ATOM 590 CB ALA A 38 22.942 -8.725 10.130 1.00 0.00 C ATOM 0 H ALA A 38 21.647 -7.301 11.541 1.00 0.00 H new ATOM 0 HA ALA A 38 20.924 -9.538 9.912 1.00 0.00 H new ATOM 0 HB1 ALA A 38 23.393 -9.477 9.482 1.00 0.00 H new ATOM 0 HB2 ALA A 38 22.747 -7.820 9.554 1.00 0.00 H new ATOM 0 HB3 ALA A 38 23.624 -8.495 10.948 1.00 0.00 H new ATOM 596 N GLN A 39 22.441 -10.380 12.694 1.00 0.00 N ATOM 597 CA GLN A 39 22.714 -11.577 13.543 1.00 0.00 C ATOM 598 C GLN A 39 21.409 -12.304 13.877 1.00 0.00 C ATOM 599 O GLN A 39 21.305 -13.507 13.738 1.00 0.00 O ATOM 600 CB GLN A 39 23.359 -11.022 14.813 1.00 0.00 C ATOM 601 CG GLN A 39 24.026 -12.161 15.586 1.00 0.00 C ATOM 602 CD GLN A 39 25.146 -11.597 16.462 1.00 0.00 C ATOM 603 OE1 GLN A 39 25.105 -10.447 16.854 1.00 0.00 O ATOM 604 NE2 GLN A 39 26.151 -12.361 16.788 1.00 0.00 N ATOM 0 H GLN A 39 22.724 -9.487 13.098 1.00 0.00 H new ATOM 0 HA GLN A 39 23.357 -12.300 13.040 1.00 0.00 H new ATOM 0 HB2 GLN A 39 24.097 -10.262 14.557 1.00 0.00 H new ATOM 0 HB3 GLN A 39 22.606 -10.539 15.435 1.00 0.00 H new ATOM 0 HG2 GLN A 39 23.290 -12.675 16.205 1.00 0.00 H new ATOM 0 HG3 GLN A 39 24.429 -12.898 14.892 1.00 0.00 H new ATOM 0 HE21 GLN A 39 26.186 -13.326 16.459 1.00 0.00 H new ATOM 0 HE22 GLN A 39 26.902 -11.994 17.372 1.00 0.00 H new ATOM 613 N TYR A 40 20.413 -11.587 14.319 1.00 0.00 N ATOM 614 CA TYR A 40 19.117 -12.240 14.667 1.00 0.00 C ATOM 615 C TYR A 40 18.484 -12.871 13.423 1.00 0.00 C ATOM 616 O TYR A 40 18.034 -14.000 13.450 1.00 0.00 O ATOM 617 CB TYR A 40 18.237 -11.108 15.197 1.00 0.00 C ATOM 618 CG TYR A 40 18.163 -11.188 16.704 1.00 0.00 C ATOM 619 CD1 TYR A 40 17.746 -12.372 17.324 1.00 0.00 C ATOM 620 CD2 TYR A 40 18.512 -10.077 17.481 1.00 0.00 C ATOM 621 CE1 TYR A 40 17.678 -12.445 18.721 1.00 0.00 C ATOM 622 CE2 TYR A 40 18.445 -10.149 18.877 1.00 0.00 C ATOM 623 CZ TYR A 40 18.027 -11.332 19.497 1.00 0.00 C ATOM 624 OH TYR A 40 17.961 -11.403 20.873 1.00 0.00 O ATOM 0 H TYR A 40 20.439 -10.576 14.455 1.00 0.00 H new ATOM 0 HA TYR A 40 19.243 -13.040 15.397 1.00 0.00 H new ATOM 0 HB2 TYR A 40 18.645 -10.144 14.893 1.00 0.00 H new ATOM 0 HB3 TYR A 40 17.237 -11.180 14.769 1.00 0.00 H new ATOM 0 HD1 TYR A 40 17.477 -13.229 16.725 1.00 0.00 H new ATOM 0 HD2 TYR A 40 18.833 -9.164 17.003 1.00 0.00 H new ATOM 0 HE1 TYR A 40 17.357 -13.358 19.200 1.00 0.00 H new ATOM 0 HE2 TYR A 40 18.716 -9.292 19.476 1.00 0.00 H new ATOM 0 HH TYR A 40 18.636 -10.810 21.264 1.00 0.00 H new ATOM 634 N CYS A 41 18.441 -12.151 12.336 1.00 0.00 N ATOM 635 CA CYS A 41 17.829 -12.707 11.094 1.00 0.00 C ATOM 636 C CYS A 41 18.648 -13.894 10.573 1.00 0.00 C ATOM 637 O CYS A 41 18.105 -14.888 10.134 1.00 0.00 O ATOM 638 CB CYS A 41 17.859 -11.555 10.090 1.00 0.00 C ATOM 639 SG CYS A 41 16.791 -10.216 10.675 1.00 0.00 S ATOM 0 H CYS A 41 18.803 -11.201 12.253 1.00 0.00 H new ATOM 0 HA CYS A 41 16.818 -13.076 11.266 1.00 0.00 H new ATOM 0 HB2 CYS A 41 18.880 -11.193 9.966 1.00 0.00 H new ATOM 0 HB3 CYS A 41 17.523 -11.902 9.113 1.00 0.00 H new ATOM 0 HG CYS A 41 17.466 -9.438 11.468 1.00 0.00 H new ATOM 645 N ILE A 42 19.949 -13.796 10.612 1.00 0.00 N ATOM 646 CA ILE A 42 20.796 -14.918 10.112 1.00 0.00 C ATOM 647 C ILE A 42 20.661 -16.143 11.023 1.00 0.00 C ATOM 648 O ILE A 42 20.915 -17.260 10.615 1.00 0.00 O ATOM 649 CB ILE A 42 22.226 -14.379 10.150 1.00 0.00 C ATOM 650 CG1 ILE A 42 22.415 -13.359 9.023 1.00 0.00 C ATOM 651 CG2 ILE A 42 23.213 -15.533 9.961 1.00 0.00 C ATOM 652 CD1 ILE A 42 23.781 -12.685 9.168 1.00 0.00 C ATOM 0 H ILE A 42 20.462 -12.989 10.968 1.00 0.00 H new ATOM 0 HA ILE A 42 20.503 -15.238 9.112 1.00 0.00 H new ATOM 0 HB ILE A 42 22.408 -13.899 11.112 1.00 0.00 H new ATOM 0 HG12 ILE A 42 22.343 -13.854 8.054 1.00 0.00 H new ATOM 0 HG13 ILE A 42 21.623 -12.611 9.059 1.00 0.00 H new ATOM 0 HG21 ILE A 42 24.232 -15.148 9.988 1.00 0.00 H new ATOM 0 HG22 ILE A 42 23.079 -16.261 10.761 1.00 0.00 H new ATOM 0 HG23 ILE A 42 23.032 -16.013 8.999 1.00 0.00 H new ATOM 0 HD11 ILE A 42 23.916 -11.959 8.366 1.00 0.00 H new ATOM 0 HD12 ILE A 42 23.835 -12.176 10.131 1.00 0.00 H new ATOM 0 HD13 ILE A 42 24.566 -13.439 9.111 1.00 0.00 H new ATOM 664 N LYS A 43 20.273 -15.945 12.252 1.00 0.00 N ATOM 665 CA LYS A 43 20.133 -17.102 13.186 1.00 0.00 C ATOM 666 C LYS A 43 18.759 -17.766 13.028 1.00 0.00 C ATOM 667 O LYS A 43 18.581 -18.922 13.355 1.00 0.00 O ATOM 668 CB LYS A 43 20.276 -16.500 14.584 1.00 0.00 C ATOM 669 CG LYS A 43 21.059 -17.465 15.478 1.00 0.00 C ATOM 670 CD LYS A 43 20.915 -17.038 16.939 1.00 0.00 C ATOM 671 CE LYS A 43 19.841 -17.890 17.617 1.00 0.00 C ATOM 672 NZ LYS A 43 19.543 -17.188 18.895 1.00 0.00 N ATOM 0 H LYS A 43 20.047 -15.034 12.652 1.00 0.00 H new ATOM 0 HA LYS A 43 20.877 -17.874 12.991 1.00 0.00 H new ATOM 0 HB2 LYS A 43 20.791 -15.541 14.528 1.00 0.00 H new ATOM 0 HB3 LYS A 43 19.292 -16.309 15.012 1.00 0.00 H new ATOM 0 HG2 LYS A 43 20.688 -18.481 15.347 1.00 0.00 H new ATOM 0 HG3 LYS A 43 22.111 -17.470 15.192 1.00 0.00 H new ATOM 0 HD2 LYS A 43 21.867 -17.153 17.458 1.00 0.00 H new ATOM 0 HD3 LYS A 43 20.647 -15.983 16.996 1.00 0.00 H new ATOM 0 HE2 LYS A 43 18.950 -17.971 16.994 1.00 0.00 H new ATOM 0 HE3 LYS A 43 20.197 -18.904 17.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 18.813 -17.713 19.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 20.408 -17.132 19.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 19.199 -16.228 18.692 1.00 0.00 H new ATOM 686 N ARG A 44 17.786 -17.046 12.538 1.00 0.00 N ATOM 687 CA ARG A 44 16.430 -17.647 12.376 1.00 0.00 C ATOM 688 C ARG A 44 16.266 -18.240 10.972 1.00 0.00 C ATOM 689 O ARG A 44 15.970 -19.409 10.823 1.00 0.00 O ATOM 690 CB ARG A 44 15.454 -16.489 12.592 1.00 0.00 C ATOM 691 CG ARG A 44 15.018 -16.461 14.059 1.00 0.00 C ATOM 692 CD ARG A 44 16.256 -16.466 14.960 1.00 0.00 C ATOM 693 NE ARG A 44 15.738 -16.742 16.329 1.00 0.00 N ATOM 694 CZ ARG A 44 15.153 -15.794 17.012 1.00 0.00 C ATOM 695 NH1 ARG A 44 15.020 -14.600 16.498 1.00 0.00 N ATOM 696 NH2 ARG A 44 14.701 -16.041 18.212 1.00 0.00 N ATOM 0 H ARG A 44 17.870 -16.073 12.244 1.00 0.00 H new ATOM 0 HA ARG A 44 16.257 -18.462 13.079 1.00 0.00 H new ATOM 0 HB2 ARG A 44 15.927 -15.545 12.323 1.00 0.00 H new ATOM 0 HB3 ARG A 44 14.585 -16.605 11.945 1.00 0.00 H new ATOM 0 HG2 ARG A 44 14.417 -15.573 14.254 1.00 0.00 H new ATOM 0 HG3 ARG A 44 14.391 -17.325 14.280 1.00 0.00 H new ATOM 0 HD2 ARG A 44 16.969 -17.229 14.647 1.00 0.00 H new ATOM 0 HD3 ARG A 44 16.776 -15.509 14.921 1.00 0.00 H new ATOM 0 HE ARG A 44 15.840 -17.673 16.734 1.00 0.00 H new ATOM 0 HH11 ARG A 44 15.373 -14.406 15.561 1.00 0.00 H new ATOM 0 HH12 ARG A 44 14.563 -13.862 17.034 1.00 0.00 H new ATOM 0 HH21 ARG A 44 14.805 -16.972 18.614 1.00 0.00 H new ATOM 0 HH22 ARG A 44 14.244 -15.302 18.747 1.00 0.00 H new ATOM 710 N MET A 45 16.451 -17.442 9.948 1.00 0.00 N ATOM 711 CA MET A 45 16.305 -17.948 8.548 1.00 0.00 C ATOM 712 C MET A 45 16.763 -19.406 8.439 1.00 0.00 C ATOM 713 O MET A 45 17.943 -19.690 8.423 1.00 0.00 O ATOM 714 CB MET A 45 17.211 -17.046 7.711 1.00 0.00 C ATOM 715 CG MET A 45 16.438 -16.545 6.493 1.00 0.00 C ATOM 716 SD MET A 45 16.934 -14.848 6.112 1.00 0.00 S ATOM 717 CE MET A 45 15.989 -14.040 7.426 1.00 0.00 C ATOM 0 H MET A 45 16.699 -16.455 10.023 1.00 0.00 H new ATOM 0 HA MET A 45 15.267 -17.924 8.215 1.00 0.00 H new ATOM 0 HB2 MET A 45 17.556 -16.203 8.309 1.00 0.00 H new ATOM 0 HB3 MET A 45 18.097 -17.595 7.393 1.00 0.00 H new ATOM 0 HG2 MET A 45 16.631 -17.191 5.637 1.00 0.00 H new ATOM 0 HG3 MET A 45 15.366 -16.586 6.688 1.00 0.00 H new ATOM 0 HE1 MET A 45 15.437 -13.197 7.011 1.00 0.00 H new ATOM 0 HE2 MET A 45 15.289 -14.753 7.862 1.00 0.00 H new ATOM 0 HE3 MET A 45 16.671 -13.683 8.198 1.00 0.00 H new ATOM 727 N PRO A 46 15.797 -20.283 8.368 1.00 0.00 N ATOM 728 CA PRO A 46 16.133 -21.729 8.258 1.00 0.00 C ATOM 729 C PRO A 46 16.944 -21.992 6.987 1.00 0.00 C ATOM 730 O PRO A 46 17.726 -21.169 6.555 1.00 0.00 O ATOM 731 CB PRO A 46 14.776 -22.425 8.184 1.00 0.00 C ATOM 732 CG PRO A 46 13.808 -21.453 8.772 1.00 0.00 C ATOM 733 CD PRO A 46 14.349 -20.080 8.493 1.00 0.00 C ATOM 0 HA PRO A 46 16.738 -22.085 9.092 1.00 0.00 H new ATOM 0 HB2 PRO A 46 14.514 -22.669 7.155 1.00 0.00 H new ATOM 0 HB3 PRO A 46 14.782 -23.361 8.742 1.00 0.00 H new ATOM 0 HG2 PRO A 46 12.819 -21.576 8.330 1.00 0.00 H new ATOM 0 HG3 PRO A 46 13.700 -21.616 9.844 1.00 0.00 H new ATOM 0 HD2 PRO A 46 13.925 -19.663 7.580 1.00 0.00 H new ATOM 0 HD3 PRO A 46 14.112 -19.387 9.300 1.00 0.00 H new ATOM 859 N ALA A 57 22.133 -19.261 0.594 1.00 0.00 N ATOM 860 CA ALA A 57 20.803 -18.590 0.560 1.00 0.00 C ATOM 861 C ALA A 57 19.964 -19.008 1.772 1.00 0.00 C ATOM 862 O ALA A 57 19.968 -20.153 2.178 1.00 0.00 O ATOM 863 CB ALA A 57 20.150 -19.073 -0.734 1.00 0.00 C ATOM 0 HA ALA A 57 20.889 -17.504 0.595 1.00 0.00 H new ATOM 0 HB1 ALA A 57 19.163 -18.622 -0.834 1.00 0.00 H new ATOM 0 HB2 ALA A 57 20.768 -18.784 -1.584 1.00 0.00 H new ATOM 0 HB3 ALA A 57 20.052 -20.158 -0.709 1.00 0.00 H new ATOM 869 N LEU A 58 19.245 -18.085 2.351 1.00 0.00 N ATOM 870 CA LEU A 58 18.403 -18.425 3.534 1.00 0.00 C ATOM 871 C LEU A 58 16.967 -17.950 3.304 1.00 0.00 C ATOM 872 O LEU A 58 16.724 -17.026 2.554 1.00 0.00 O ATOM 873 CB LEU A 58 19.037 -17.668 4.702 1.00 0.00 C ATOM 874 CG LEU A 58 20.537 -17.960 4.746 1.00 0.00 C ATOM 875 CD1 LEU A 58 21.239 -16.903 5.601 1.00 0.00 C ATOM 876 CD2 LEU A 58 20.767 -19.343 5.359 1.00 0.00 C ATOM 0 H LEU A 58 19.204 -17.109 2.056 1.00 0.00 H new ATOM 0 HA LEU A 58 18.361 -19.498 3.721 1.00 0.00 H new ATOM 0 HB2 LEU A 58 18.868 -16.597 4.590 1.00 0.00 H new ATOM 0 HB3 LEU A 58 18.570 -17.968 5.640 1.00 0.00 H new ATOM 0 HG LEU A 58 20.942 -17.936 3.734 1.00 0.00 H new ATOM 0 HD11 LEU A 58 22.308 -17.112 5.632 1.00 0.00 H new ATOM 0 HD12 LEU A 58 21.074 -15.916 5.168 1.00 0.00 H new ATOM 0 HD13 LEU A 58 20.835 -16.927 6.613 1.00 0.00 H new ATOM 0 HD21 LEU A 58 21.836 -19.553 5.391 1.00 0.00 H new ATOM 0 HD22 LEU A 58 20.362 -19.364 6.371 1.00 0.00 H new ATOM 0 HD23 LEU A 58 20.267 -20.098 4.752 1.00 0.00 H new ATOM 888 N ASP A 59 16.011 -18.572 3.940 1.00 0.00 N ATOM 889 CA ASP A 59 14.596 -18.142 3.743 1.00 0.00 C ATOM 890 C ASP A 59 14.095 -17.367 4.964 1.00 0.00 C ATOM 891 O ASP A 59 13.900 -17.919 6.028 1.00 0.00 O ATOM 892 CB ASP A 59 13.808 -19.442 3.577 1.00 0.00 C ATOM 893 CG ASP A 59 13.592 -19.721 2.088 1.00 0.00 C ATOM 894 OD1 ASP A 59 14.155 -18.999 1.283 1.00 0.00 O ATOM 895 OD2 ASP A 59 12.866 -20.652 1.779 1.00 0.00 O ATOM 0 H ASP A 59 16.146 -19.353 4.582 1.00 0.00 H new ATOM 0 HA ASP A 59 14.485 -17.481 2.884 1.00 0.00 H new ATOM 0 HB2 ASP A 59 14.348 -20.269 4.038 1.00 0.00 H new ATOM 0 HB3 ASP A 59 12.848 -19.365 4.087 1.00 0.00 H new ATOM 900 N TYR A 60 13.875 -16.089 4.812 1.00 0.00 N ATOM 901 CA TYR A 60 13.377 -15.267 5.949 1.00 0.00 C ATOM 902 C TYR A 60 11.866 -15.452 6.098 1.00 0.00 C ATOM 903 O TYR A 60 11.299 -15.209 7.144 1.00 0.00 O ATOM 904 CB TYR A 60 13.700 -13.828 5.551 1.00 0.00 C ATOM 905 CG TYR A 60 13.026 -13.513 4.238 1.00 0.00 C ATOM 906 CD1 TYR A 60 11.648 -13.265 4.199 1.00 0.00 C ATOM 907 CD2 TYR A 60 13.778 -13.475 3.057 1.00 0.00 C ATOM 908 CE1 TYR A 60 11.024 -12.977 2.979 1.00 0.00 C ATOM 909 CE2 TYR A 60 13.153 -13.187 1.838 1.00 0.00 C ATOM 910 CZ TYR A 60 11.776 -12.938 1.799 1.00 0.00 C ATOM 911 OH TYR A 60 11.160 -12.656 0.596 1.00 0.00 O ATOM 0 H TYR A 60 14.020 -15.577 3.942 1.00 0.00 H new ATOM 0 HA TYR A 60 13.831 -15.543 6.901 1.00 0.00 H new ATOM 0 HB2 TYR A 60 13.358 -13.139 6.323 1.00 0.00 H new ATOM 0 HB3 TYR A 60 14.778 -13.696 5.461 1.00 0.00 H new ATOM 0 HD1 TYR A 60 11.067 -13.296 5.109 1.00 0.00 H new ATOM 0 HD2 TYR A 60 14.840 -13.668 3.087 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.962 -12.785 2.948 1.00 0.00 H new ATOM 0 HE2 TYR A 60 13.733 -13.157 0.928 1.00 0.00 H new ATOM 0 HH TYR A 60 11.826 -12.667 -0.123 1.00 0.00 H new ATOM 921 N ALA A 61 11.211 -15.884 5.054 1.00 0.00 N ATOM 922 CA ALA A 61 9.737 -16.088 5.132 1.00 0.00 C ATOM 923 C ALA A 61 9.406 -17.037 6.282 1.00 0.00 C ATOM 924 O ALA A 61 8.428 -16.865 6.981 1.00 0.00 O ATOM 925 CB ALA A 61 9.351 -16.710 3.789 1.00 0.00 C ATOM 0 H ALA A 61 11.633 -16.104 4.152 1.00 0.00 H new ATOM 0 HA ALA A 61 9.195 -15.160 5.317 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.276 -16.891 3.767 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.620 -16.029 2.982 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.881 -17.654 3.659 1.00 0.00 H new ATOM 931 N ALA A 62 10.220 -18.037 6.490 1.00 0.00 N ATOM 932 CA ALA A 62 9.951 -18.990 7.604 1.00 0.00 C ATOM 933 C ALA A 62 10.067 -18.263 8.940 1.00 0.00 C ATOM 934 O ALA A 62 9.361 -18.552 9.885 1.00 0.00 O ATOM 935 CB ALA A 62 11.028 -20.068 7.478 1.00 0.00 C ATOM 0 H ALA A 62 11.056 -18.234 5.939 1.00 0.00 H new ATOM 0 HA ALA A 62 8.950 -19.418 7.556 1.00 0.00 H new ATOM 0 HB1 ALA A 62 10.896 -20.809 8.267 1.00 0.00 H new ATOM 0 HB2 ALA A 62 10.944 -20.554 6.506 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.013 -19.611 7.571 1.00 0.00 H new ATOM 941 N PHE A 63 10.949 -17.312 9.016 1.00 0.00 N ATOM 942 CA PHE A 63 11.119 -16.545 10.282 1.00 0.00 C ATOM 943 C PHE A 63 9.920 -15.619 10.494 1.00 0.00 C ATOM 944 O PHE A 63 9.478 -15.403 11.606 1.00 0.00 O ATOM 945 CB PHE A 63 12.402 -15.732 10.086 1.00 0.00 C ATOM 946 CG PHE A 63 12.709 -14.936 11.336 1.00 0.00 C ATOM 947 CD1 PHE A 63 12.047 -15.219 12.539 1.00 0.00 C ATOM 948 CD2 PHE A 63 13.662 -13.911 11.290 1.00 0.00 C ATOM 949 CE1 PHE A 63 12.339 -14.478 13.691 1.00 0.00 C ATOM 950 CE2 PHE A 63 13.955 -13.171 12.442 1.00 0.00 C ATOM 951 CZ PHE A 63 13.292 -13.455 13.642 1.00 0.00 C ATOM 0 H PHE A 63 11.564 -17.029 8.253 1.00 0.00 H new ATOM 0 HA PHE A 63 11.182 -17.193 11.156 1.00 0.00 H new ATOM 0 HB2 PHE A 63 13.233 -16.399 9.857 1.00 0.00 H new ATOM 0 HB3 PHE A 63 12.289 -15.059 9.236 1.00 0.00 H new ATOM 0 HD1 PHE A 63 11.311 -16.009 12.577 1.00 0.00 H new ATOM 0 HD2 PHE A 63 14.172 -13.691 10.364 1.00 0.00 H new ATOM 0 HE1 PHE A 63 11.828 -14.696 14.617 1.00 0.00 H new ATOM 0 HE2 PHE A 63 14.692 -12.382 12.405 1.00 0.00 H new ATOM 0 HZ PHE A 63 13.516 -12.884 14.531 1.00 0.00 H new ATOM 961 N SER A 64 9.389 -15.070 9.435 1.00 0.00 N ATOM 962 CA SER A 64 8.216 -14.159 9.573 1.00 0.00 C ATOM 963 C SER A 64 7.058 -14.893 10.253 1.00 0.00 C ATOM 964 O SER A 64 6.470 -14.405 11.198 1.00 0.00 O ATOM 965 CB SER A 64 7.843 -13.776 8.142 1.00 0.00 C ATOM 966 OG SER A 64 6.429 -13.705 8.028 1.00 0.00 O ATOM 0 H SER A 64 9.717 -15.213 8.480 1.00 0.00 H new ATOM 0 HA SER A 64 8.440 -13.284 10.183 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.289 -12.816 7.882 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.239 -14.511 7.442 1.00 0.00 H new ATOM 0 HG SER A 64 6.168 -12.802 7.752 1.00 0.00 H new ATOM 972 N SER A 65 6.725 -16.065 9.781 1.00 0.00 N ATOM 973 CA SER A 65 5.606 -16.828 10.404 1.00 0.00 C ATOM 974 C SER A 65 5.963 -17.200 11.846 1.00 0.00 C ATOM 975 O SER A 65 5.123 -17.197 12.724 1.00 0.00 O ATOM 976 CB SER A 65 5.457 -18.084 9.548 1.00 0.00 C ATOM 977 OG SER A 65 5.222 -17.707 8.199 1.00 0.00 O ATOM 0 H SER A 65 7.179 -16.526 8.992 1.00 0.00 H new ATOM 0 HA SER A 65 4.682 -16.251 10.442 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.358 -18.693 9.616 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.632 -18.693 9.916 1.00 0.00 H new ATOM 0 HG SER A 65 5.128 -18.511 7.646 1.00 0.00 H new ATOM 983 N ALA A 66 7.204 -17.518 12.096 1.00 0.00 N ATOM 984 CA ALA A 66 7.614 -17.886 13.480 1.00 0.00 C ATOM 985 C ALA A 66 7.587 -16.649 14.381 1.00 0.00 C ATOM 986 O ALA A 66 7.270 -16.729 15.552 1.00 0.00 O ATOM 987 CB ALA A 66 9.039 -18.420 13.344 1.00 0.00 C ATOM 0 H ALA A 66 7.951 -17.539 11.402 1.00 0.00 H new ATOM 0 HA ALA A 66 6.947 -18.622 13.928 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.413 -18.713 14.325 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.042 -19.285 12.681 1.00 0.00 H new ATOM 0 HB3 ALA A 66 9.681 -17.643 12.929 1.00 0.00 H new ATOM 993 N LEU A 67 7.915 -15.505 13.844 1.00 0.00 N ATOM 994 CA LEU A 67 7.905 -14.265 14.671 1.00 0.00 C ATOM 995 C LEU A 67 6.492 -13.998 15.195 1.00 0.00 C ATOM 996 O LEU A 67 6.296 -13.684 16.352 1.00 0.00 O ATOM 997 CB LEU A 67 8.340 -13.152 13.717 1.00 0.00 C ATOM 998 CG LEU A 67 9.654 -12.541 14.205 1.00 0.00 C ATOM 999 CD1 LEU A 67 10.419 -11.959 13.016 1.00 0.00 C ATOM 1000 CD2 LEU A 67 9.354 -11.427 15.211 1.00 0.00 C ATOM 0 H LEU A 67 8.189 -15.376 12.870 1.00 0.00 H new ATOM 0 HA LEU A 67 8.561 -14.338 15.539 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.465 -13.551 12.710 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.568 -12.384 13.663 1.00 0.00 H new ATOM 0 HG LEU A 67 10.258 -13.312 14.683 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.356 -11.523 13.364 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.632 -12.751 12.298 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.816 -11.187 12.538 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.290 -10.990 15.560 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.751 -10.656 14.731 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.808 -11.840 16.059 1.00 0.00 H new ATOM 1012 N TYR A 68 5.505 -14.127 14.351 1.00 0.00 N ATOM 1013 CA TYR A 68 4.104 -13.889 14.797 1.00 0.00 C ATOM 1014 C TYR A 68 3.406 -15.223 15.076 1.00 0.00 C ATOM 1015 O TYR A 68 2.231 -15.269 15.381 1.00 0.00 O ATOM 1016 CB TYR A 68 3.436 -13.163 13.629 1.00 0.00 C ATOM 1017 CG TYR A 68 3.707 -11.682 13.737 1.00 0.00 C ATOM 1018 CD1 TYR A 68 3.021 -10.912 14.683 1.00 0.00 C ATOM 1019 CD2 TYR A 68 4.646 -11.079 12.892 1.00 0.00 C ATOM 1020 CE1 TYR A 68 3.273 -9.539 14.785 1.00 0.00 C ATOM 1021 CE2 TYR A 68 4.899 -9.705 12.993 1.00 0.00 C ATOM 1022 CZ TYR A 68 4.213 -8.935 13.940 1.00 0.00 C ATOM 1023 OH TYR A 68 4.462 -7.582 14.039 1.00 0.00 O ATOM 0 H TYR A 68 5.609 -14.387 13.370 1.00 0.00 H new ATOM 0 HA TYR A 68 4.054 -13.308 15.718 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.818 -13.546 12.683 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.362 -13.349 13.638 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.297 -11.378 15.335 1.00 0.00 H new ATOM 0 HD2 TYR A 68 5.176 -11.673 12.162 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.743 -8.945 15.515 1.00 0.00 H new ATOM 0 HE2 TYR A 68 5.623 -9.240 12.341 1.00 0.00 H new ATOM 0 HH TYR A 68 5.141 -7.325 13.381 1.00 0.00 H new ATOM 1105 N LYS B 8 11.491 2.300 -1.632 1.00 0.00 N ATOM 1106 CA LYS B 8 11.276 2.344 -0.157 1.00 0.00 C ATOM 1107 C LYS B 8 12.155 1.302 0.538 1.00 0.00 C ATOM 1108 O LYS B 8 11.751 0.677 1.498 1.00 0.00 O ATOM 1109 CB LYS B 8 9.796 2.014 0.038 1.00 0.00 C ATOM 1110 CG LYS B 8 9.555 0.538 -0.286 1.00 0.00 C ATOM 1111 CD LYS B 8 8.069 0.215 -0.115 1.00 0.00 C ATOM 1112 CE LYS B 8 7.268 0.897 -1.227 1.00 0.00 C ATOM 1113 NZ LYS B 8 7.103 -0.148 -2.276 1.00 0.00 N ATOM 0 HA LYS B 8 11.537 3.313 0.269 1.00 0.00 H new ATOM 0 HB2 LYS B 8 9.498 2.225 1.065 1.00 0.00 H new ATOM 0 HB3 LYS B 8 9.184 2.644 -0.608 1.00 0.00 H new ATOM 0 HG2 LYS B 8 9.870 0.323 -1.307 1.00 0.00 H new ATOM 0 HG3 LYS B 8 10.153 -0.092 0.372 1.00 0.00 H new ATOM 0 HD2 LYS B 8 7.914 -0.863 -0.149 1.00 0.00 H new ATOM 0 HD3 LYS B 8 7.721 0.556 0.860 1.00 0.00 H new ATOM 0 HE2 LYS B 8 6.302 1.246 -0.861 1.00 0.00 H new ATOM 0 HE3 LYS B 8 7.795 1.768 -1.616 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 6.563 0.243 -3.074 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 8.039 -0.456 -2.609 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 6.592 -0.962 -1.878 1.00 0.00 H new ATOM 1127 N LYS B 9 13.355 1.110 0.063 1.00 0.00 N ATOM 1128 CA LYS B 9 14.255 0.109 0.703 1.00 0.00 C ATOM 1129 C LYS B 9 14.451 0.455 2.180 1.00 0.00 C ATOM 1130 O LYS B 9 14.307 -0.381 3.048 1.00 0.00 O ATOM 1131 CB LYS B 9 15.577 0.218 -0.057 1.00 0.00 C ATOM 1132 CG LYS B 9 16.354 -1.092 0.080 1.00 0.00 C ATOM 1133 CD LYS B 9 17.796 -0.884 -0.386 1.00 0.00 C ATOM 1134 CE LYS B 9 17.819 -0.679 -1.903 1.00 0.00 C ATOM 1135 NZ LYS B 9 18.750 0.461 -2.122 1.00 0.00 N ATOM 0 H LYS B 9 13.751 1.601 -0.738 1.00 0.00 H new ATOM 0 HA LYS B 9 13.849 -0.902 0.662 1.00 0.00 H new ATOM 0 HB2 LYS B 9 15.387 0.432 -1.109 1.00 0.00 H new ATOM 0 HB3 LYS B 9 16.167 1.046 0.336 1.00 0.00 H new ATOM 0 HG2 LYS B 9 16.341 -1.428 1.117 1.00 0.00 H new ATOM 0 HG3 LYS B 9 15.878 -1.873 -0.514 1.00 0.00 H new ATOM 0 HD2 LYS B 9 18.230 -0.019 0.115 1.00 0.00 H new ATOM 0 HD3 LYS B 9 18.405 -1.747 -0.116 1.00 0.00 H new ATOM 0 HE2 LYS B 9 18.165 -1.576 -2.417 1.00 0.00 H new ATOM 0 HE3 LYS B 9 16.824 -0.455 -2.286 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 18.819 0.662 -3.140 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 18.392 1.302 -1.626 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 19.691 0.216 -1.753 1.00 0.00 H new ATOM 1149 N ALA B 10 14.772 1.686 2.472 1.00 0.00 N ATOM 1150 CA ALA B 10 14.967 2.083 3.894 1.00 0.00 C ATOM 1151 C ALA B 10 13.711 1.743 4.699 1.00 0.00 C ATOM 1152 O ALA B 10 13.780 1.386 5.859 1.00 0.00 O ATOM 1153 CB ALA B 10 15.190 3.595 3.859 1.00 0.00 C ATOM 0 H ALA B 10 14.907 2.431 1.789 1.00 0.00 H new ATOM 0 HA ALA B 10 15.803 1.564 4.363 1.00 0.00 H new ATOM 0 HB1 ALA B 10 15.342 3.964 4.873 1.00 0.00 H new ATOM 0 HB2 ALA B 10 16.070 3.819 3.256 1.00 0.00 H new ATOM 0 HB3 ALA B 10 14.318 4.081 3.423 1.00 0.00 H new ATOM 1159 N GLU B 11 12.562 1.846 4.087 1.00 0.00 N ATOM 1160 CA GLU B 11 11.300 1.522 4.809 1.00 0.00 C ATOM 1161 C GLU B 11 11.245 0.023 5.114 1.00 0.00 C ATOM 1162 O GLU B 11 10.835 -0.389 6.180 1.00 0.00 O ATOM 1163 CB GLU B 11 10.180 1.918 3.848 1.00 0.00 C ATOM 1164 CG GLU B 11 9.248 2.916 4.538 1.00 0.00 C ATOM 1165 CD GLU B 11 7.924 2.229 4.876 1.00 0.00 C ATOM 1166 OE1 GLU B 11 7.132 2.033 3.968 1.00 0.00 O ATOM 1167 OE2 GLU B 11 7.724 1.911 6.037 1.00 0.00 O ATOM 0 H GLU B 11 12.444 2.141 3.118 1.00 0.00 H new ATOM 0 HA GLU B 11 11.218 2.046 5.762 1.00 0.00 H new ATOM 0 HB2 GLU B 11 10.600 2.360 2.945 1.00 0.00 H new ATOM 0 HB3 GLU B 11 9.621 1.035 3.540 1.00 0.00 H new ATOM 0 HG2 GLU B 11 9.714 3.297 5.447 1.00 0.00 H new ATOM 0 HG3 GLU B 11 9.070 3.773 3.888 1.00 0.00 H new ATOM 1174 N ALA B 12 11.660 -0.795 4.184 1.00 0.00 N ATOM 1175 CA ALA B 12 11.637 -2.265 4.426 1.00 0.00 C ATOM 1176 C ALA B 12 12.567 -2.611 5.591 1.00 0.00 C ATOM 1177 O ALA B 12 12.233 -3.401 6.451 1.00 0.00 O ATOM 1178 CB ALA B 12 12.146 -2.889 3.127 1.00 0.00 C ATOM 0 H ALA B 12 12.013 -0.509 3.271 1.00 0.00 H new ATOM 0 HA ALA B 12 10.644 -2.631 4.687 1.00 0.00 H new ATOM 0 HB1 ALA B 12 12.159 -3.974 3.225 1.00 0.00 H new ATOM 0 HB2 ALA B 12 11.488 -2.607 2.305 1.00 0.00 H new ATOM 0 HB3 ALA B 12 13.155 -2.531 2.923 1.00 0.00 H new ATOM 1184 N VAL B 13 13.729 -2.016 5.629 1.00 0.00 N ATOM 1185 CA VAL B 13 14.673 -2.302 6.744 1.00 0.00 C ATOM 1186 C VAL B 13 14.017 -1.938 8.078 1.00 0.00 C ATOM 1187 O VAL B 13 14.143 -2.644 9.059 1.00 0.00 O ATOM 1188 CB VAL B 13 15.886 -1.409 6.480 1.00 0.00 C ATOM 1189 CG1 VAL B 13 16.924 -1.614 7.585 1.00 0.00 C ATOM 1190 CG2 VAL B 13 16.504 -1.775 5.128 1.00 0.00 C ATOM 0 H VAL B 13 14.064 -1.346 4.937 1.00 0.00 H new ATOM 0 HA VAL B 13 14.953 -3.354 6.796 1.00 0.00 H new ATOM 0 HB VAL B 13 15.571 -0.366 6.467 1.00 0.00 H new ATOM 0 HG11 VAL B 13 17.788 -0.977 7.395 1.00 0.00 H new ATOM 0 HG12 VAL B 13 16.486 -1.354 8.549 1.00 0.00 H new ATOM 0 HG13 VAL B 13 17.239 -2.657 7.599 1.00 0.00 H new ATOM 0 HG21 VAL B 13 17.369 -1.139 4.939 1.00 0.00 H new ATOM 0 HG22 VAL B 13 16.818 -2.819 5.142 1.00 0.00 H new ATOM 0 HG23 VAL B 13 15.766 -1.628 4.339 1.00 0.00 H new ATOM 1200 N ALA B 14 13.308 -0.842 8.115 1.00 0.00 N ATOM 1201 CA ALA B 14 12.632 -0.433 9.379 1.00 0.00 C ATOM 1202 C ALA B 14 11.665 -1.530 9.831 1.00 0.00 C ATOM 1203 O ALA B 14 11.572 -1.849 10.998 1.00 0.00 O ATOM 1204 CB ALA B 14 11.868 0.844 9.024 1.00 0.00 C ATOM 0 H ALA B 14 13.168 -0.213 7.325 1.00 0.00 H new ATOM 0 HA ALA B 14 13.336 -0.270 10.195 1.00 0.00 H new ATOM 0 HB1 ALA B 14 11.341 1.210 9.905 1.00 0.00 H new ATOM 0 HB2 ALA B 14 12.569 1.604 8.679 1.00 0.00 H new ATOM 0 HB3 ALA B 14 11.148 0.630 8.234 1.00 0.00 H new ATOM 1210 N THR B 15 10.946 -2.110 8.909 1.00 0.00 N ATOM 1211 CA THR B 15 9.986 -3.189 9.278 1.00 0.00 C ATOM 1212 C THR B 15 10.739 -4.386 9.866 1.00 0.00 C ATOM 1213 O THR B 15 10.349 -4.943 10.872 1.00 0.00 O ATOM 1214 CB THR B 15 9.302 -3.574 7.964 1.00 0.00 C ATOM 1215 OG1 THR B 15 9.215 -2.430 7.127 1.00 0.00 O ATOM 1216 CG2 THR B 15 7.898 -4.106 8.253 1.00 0.00 C ATOM 0 H THR B 15 10.982 -1.883 7.915 1.00 0.00 H new ATOM 0 HA THR B 15 9.267 -2.866 10.031 1.00 0.00 H new ATOM 0 HB THR B 15 9.884 -4.348 7.464 1.00 0.00 H new ATOM 0 HG1 THR B 15 8.779 -2.674 6.284 1.00 0.00 H new ATOM 0 HG21 THR B 15 7.413 -4.380 7.316 1.00 0.00 H new ATOM 0 HG22 THR B 15 7.967 -4.984 8.896 1.00 0.00 H new ATOM 0 HG23 THR B 15 7.312 -3.335 8.753 1.00 0.00 H new ATOM 1224 N VAL B 16 11.819 -4.781 9.247 1.00 0.00 N ATOM 1225 CA VAL B 16 12.598 -5.938 9.775 1.00 0.00 C ATOM 1226 C VAL B 16 13.173 -5.595 11.151 1.00 0.00 C ATOM 1227 O VAL B 16 13.141 -6.395 12.065 1.00 0.00 O ATOM 1228 CB VAL B 16 13.720 -6.158 8.763 1.00 0.00 C ATOM 1229 CG1 VAL B 16 14.636 -7.281 9.252 1.00 0.00 C ATOM 1230 CG2 VAL B 16 13.118 -6.545 7.411 1.00 0.00 C ATOM 0 H VAL B 16 12.195 -4.354 8.401 1.00 0.00 H new ATOM 0 HA VAL B 16 11.985 -6.831 9.898 1.00 0.00 H new ATOM 0 HB VAL B 16 14.297 -5.239 8.655 1.00 0.00 H new ATOM 0 HG11 VAL B 16 15.437 -7.438 8.529 1.00 0.00 H new ATOM 0 HG12 VAL B 16 15.065 -7.007 10.216 1.00 0.00 H new ATOM 0 HG13 VAL B 16 14.060 -8.200 9.360 1.00 0.00 H new ATOM 0 HG21 VAL B 16 13.918 -6.702 6.688 1.00 0.00 H new ATOM 0 HG22 VAL B 16 12.541 -7.463 7.519 1.00 0.00 H new ATOM 0 HG23 VAL B 16 12.465 -5.745 7.061 1.00 0.00 H new ATOM 1240 N VAL B 17 13.695 -4.408 11.306 1.00 0.00 N ATOM 1241 CA VAL B 17 14.267 -4.013 12.625 1.00 0.00 C ATOM 1242 C VAL B 17 13.178 -4.045 13.699 1.00 0.00 C ATOM 1243 O VAL B 17 13.359 -4.601 14.764 1.00 0.00 O ATOM 1244 CB VAL B 17 14.783 -2.589 12.424 1.00 0.00 C ATOM 1245 CG1 VAL B 17 15.561 -2.149 13.666 1.00 0.00 C ATOM 1246 CG2 VAL B 17 15.705 -2.548 11.205 1.00 0.00 C ATOM 0 H VAL B 17 13.750 -3.696 10.578 1.00 0.00 H new ATOM 0 HA VAL B 17 15.058 -4.687 12.953 1.00 0.00 H new ATOM 0 HB VAL B 17 13.940 -1.916 12.265 1.00 0.00 H new ATOM 0 HG11 VAL B 17 15.930 -1.133 13.524 1.00 0.00 H new ATOM 0 HG12 VAL B 17 14.905 -2.178 14.536 1.00 0.00 H new ATOM 0 HG13 VAL B 17 16.404 -2.822 13.825 1.00 0.00 H new ATOM 0 HG21 VAL B 17 16.073 -1.532 11.061 1.00 0.00 H new ATOM 0 HG22 VAL B 17 16.548 -3.221 11.364 1.00 0.00 H new ATOM 0 HG23 VAL B 17 15.152 -2.862 10.320 1.00 0.00 H new ATOM 1256 N ALA B 18 12.046 -3.455 13.427 1.00 0.00 N ATOM 1257 CA ALA B 18 10.945 -3.455 14.433 1.00 0.00 C ATOM 1258 C ALA B 18 10.488 -4.890 14.709 1.00 0.00 C ATOM 1259 O ALA B 18 10.315 -5.290 15.843 1.00 0.00 O ATOM 1260 CB ALA B 18 9.819 -2.647 13.787 1.00 0.00 C ATOM 0 H ALA B 18 11.836 -2.973 12.553 1.00 0.00 H new ATOM 0 HA ALA B 18 11.254 -3.029 15.388 1.00 0.00 H new ATOM 0 HB1 ALA B 18 8.968 -2.600 14.467 1.00 0.00 H new ATOM 0 HB2 ALA B 18 10.171 -1.637 13.576 1.00 0.00 H new ATOM 0 HB3 ALA B 18 9.514 -3.127 12.857 1.00 0.00 H new ATOM 1266 N ALA B 19 10.295 -5.669 13.679 1.00 0.00 N ATOM 1267 CA ALA B 19 9.854 -7.078 13.883 1.00 0.00 C ATOM 1268 C ALA B 19 10.933 -7.862 14.633 1.00 0.00 C ATOM 1269 O ALA B 19 10.652 -8.588 15.567 1.00 0.00 O ATOM 1270 CB ALA B 19 9.663 -7.641 12.474 1.00 0.00 C ATOM 0 H ALA B 19 10.424 -5.391 12.706 1.00 0.00 H new ATOM 0 HA ALA B 19 8.941 -7.146 14.475 1.00 0.00 H new ATOM 0 HB1 ALA B 19 9.337 -8.679 12.538 1.00 0.00 H new ATOM 0 HB2 ALA B 19 8.909 -7.056 11.948 1.00 0.00 H new ATOM 0 HB3 ALA B 19 10.607 -7.590 11.931 1.00 0.00 H new ATOM 1276 N VAL B 20 12.168 -7.720 14.236 1.00 0.00 N ATOM 1277 CA VAL B 20 13.262 -8.455 14.934 1.00 0.00 C ATOM 1278 C VAL B 20 13.346 -8.001 16.392 1.00 0.00 C ATOM 1279 O VAL B 20 13.493 -8.802 17.295 1.00 0.00 O ATOM 1280 CB VAL B 20 14.537 -8.079 14.180 1.00 0.00 C ATOM 1281 CG1 VAL B 20 15.756 -8.536 14.983 1.00 0.00 C ATOM 1282 CG2 VAL B 20 14.542 -8.765 12.812 1.00 0.00 C ATOM 0 H VAL B 20 12.467 -7.129 13.461 1.00 0.00 H new ATOM 0 HA VAL B 20 13.100 -9.533 14.942 1.00 0.00 H new ATOM 0 HB VAL B 20 14.574 -6.998 14.045 1.00 0.00 H new ATOM 0 HG11 VAL B 20 16.666 -8.269 14.446 1.00 0.00 H new ATOM 0 HG12 VAL B 20 15.753 -8.049 15.958 1.00 0.00 H new ATOM 0 HG13 VAL B 20 15.719 -9.617 15.118 1.00 0.00 H new ATOM 0 HG21 VAL B 20 15.451 -8.497 12.274 1.00 0.00 H new ATOM 0 HG22 VAL B 20 14.505 -9.846 12.947 1.00 0.00 H new ATOM 0 HG23 VAL B 20 13.673 -8.441 12.239 1.00 0.00 H new ATOM 1292 N ASP B 21 13.247 -6.722 16.631 1.00 0.00 N ATOM 1293 CA ASP B 21 13.317 -6.218 18.032 1.00 0.00 C ATOM 1294 C ASP B 21 12.202 -6.847 18.870 1.00 0.00 C ATOM 1295 O ASP B 21 12.385 -7.157 20.031 1.00 0.00 O ATOM 1296 CB ASP B 21 13.115 -4.707 17.922 1.00 0.00 C ATOM 1297 CG ASP B 21 14.379 -3.990 18.400 1.00 0.00 C ATOM 1298 OD1 ASP B 21 14.701 -4.117 19.570 1.00 0.00 O ATOM 1299 OD2 ASP B 21 15.003 -3.325 17.589 1.00 0.00 O ATOM 0 H ASP B 21 13.121 -6.004 15.917 1.00 0.00 H new ATOM 0 HA ASP B 21 14.262 -6.467 18.515 1.00 0.00 H new ATOM 0 HB2 ASP B 21 12.896 -4.432 16.890 1.00 0.00 H new ATOM 0 HB3 ASP B 21 12.259 -4.399 18.523 1.00 0.00 H new ATOM 1304 N GLN B 22 11.050 -7.041 18.290 1.00 0.00 N ATOM 1305 CA GLN B 22 9.924 -7.653 19.050 1.00 0.00 C ATOM 1306 C GLN B 22 10.298 -9.074 19.482 1.00 0.00 C ATOM 1307 O GLN B 22 10.071 -9.473 20.607 1.00 0.00 O ATOM 1308 CB GLN B 22 8.751 -7.679 18.068 1.00 0.00 C ATOM 1309 CG GLN B 22 7.500 -7.115 18.746 1.00 0.00 C ATOM 1310 CD GLN B 22 6.292 -7.302 17.826 1.00 0.00 C ATOM 1311 OE1 GLN B 22 6.062 -8.383 17.319 1.00 0.00 O ATOM 1312 NE2 GLN B 22 5.505 -6.290 17.587 1.00 0.00 N ATOM 0 H GLN B 22 10.839 -6.802 17.321 1.00 0.00 H new ATOM 0 HA GLN B 22 9.681 -7.097 19.956 1.00 0.00 H new ATOM 0 HB2 GLN B 22 8.993 -7.092 17.182 1.00 0.00 H new ATOM 0 HB3 GLN B 22 8.566 -8.700 17.733 1.00 0.00 H new ATOM 0 HG2 GLN B 22 7.329 -7.621 19.696 1.00 0.00 H new ATOM 0 HG3 GLN B 22 7.640 -6.057 18.969 1.00 0.00 H new ATOM 0 HE21 GLN B 22 5.697 -5.383 18.012 1.00 0.00 H new ATOM 0 HE22 GLN B 22 4.697 -6.406 16.975 1.00 0.00 H new ATOM 1321 N ALA B 23 10.873 -9.839 18.594 1.00 0.00 N ATOM 1322 CA ALA B 23 11.264 -11.233 18.951 1.00 0.00 C ATOM 1323 C ALA B 23 12.320 -11.220 20.061 1.00 0.00 C ATOM 1324 O ALA B 23 12.345 -12.081 20.918 1.00 0.00 O ATOM 1325 CB ALA B 23 11.848 -11.821 17.667 1.00 0.00 C ATOM 0 H ALA B 23 11.089 -9.559 17.637 1.00 0.00 H new ATOM 0 HA ALA B 23 10.420 -11.815 19.321 1.00 0.00 H new ATOM 0 HB1 ALA B 23 12.161 -12.849 17.847 1.00 0.00 H new ATOM 0 HB2 ALA B 23 11.092 -11.804 16.882 1.00 0.00 H new ATOM 0 HB3 ALA B 23 12.709 -11.230 17.355 1.00 0.00 H new ATOM 1331 N ARG B 24 13.192 -10.250 20.049 1.00 0.00 N ATOM 1332 CA ARG B 24 14.248 -10.183 21.101 1.00 0.00 C ATOM 1333 C ARG B 24 13.621 -9.895 22.468 1.00 0.00 C ATOM 1334 O ARG B 24 14.037 -10.431 23.477 1.00 0.00 O ATOM 1335 CB ARG B 24 15.156 -9.028 20.673 1.00 0.00 C ATOM 1336 CG ARG B 24 16.170 -8.736 21.779 1.00 0.00 C ATOM 1337 CD ARG B 24 16.708 -7.312 21.616 1.00 0.00 C ATOM 1338 NE ARG B 24 17.559 -7.084 22.817 1.00 0.00 N ATOM 1339 CZ ARG B 24 17.952 -5.876 23.124 1.00 0.00 C ATOM 1340 NH1 ARG B 24 17.616 -4.864 22.371 1.00 0.00 N ATOM 1341 NH2 ARG B 24 18.687 -5.681 24.185 1.00 0.00 N ATOM 0 H ARG B 24 13.220 -9.501 19.357 1.00 0.00 H new ATOM 0 HA ARG B 24 14.795 -11.121 21.197 1.00 0.00 H new ATOM 0 HB2 ARG B 24 15.674 -9.283 19.749 1.00 0.00 H new ATOM 0 HB3 ARG B 24 14.559 -8.139 20.469 1.00 0.00 H new ATOM 0 HG2 ARG B 24 15.701 -8.849 22.756 1.00 0.00 H new ATOM 0 HG3 ARG B 24 16.990 -9.453 21.734 1.00 0.00 H new ATOM 0 HD2 ARG B 24 17.286 -7.211 20.697 1.00 0.00 H new ATOM 0 HD3 ARG B 24 15.896 -6.587 21.564 1.00 0.00 H new ATOM 0 HE ARG B 24 17.836 -7.873 23.401 1.00 0.00 H new ATOM 0 HH11 ARG B 24 17.045 -5.015 21.540 1.00 0.00 H new ATOM 0 HH12 ARG B 24 17.925 -3.923 22.614 1.00 0.00 H new ATOM 0 HH21 ARG B 24 18.954 -6.471 24.773 1.00 0.00 H new ATOM 0 HH22 ARG B 24 18.995 -4.739 24.426 1.00 0.00 H new