USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 845 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 9 SER OG : rot 76:sc= 0.228 USER MOD Set 1.2: A 55 ASN : amide:sc= 0.22 X(o=0.45,f=0.02) USER MOD Single : A 2 THR OG1 : rot 33:sc= 0.149 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -173:sc= 0.417 (180deg=0.317) USER MOD Single : A 17 LYS NZ :NH3+ -150:sc= 1.34 (180deg=1.01) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 25 SER OG : rot 180:sc= -0.0842 USER MOD Single : A 35 HIS : no HE2:sc= -2.49! C(o=-2.5!,f=-5.9!) USER MOD Single : A 37 SER OG : rot -30:sc= 0.0671 USER MOD Single : A 41 GLN : amide:sc= 1.53 K(o=1.5,f=-4.4!) USER MOD Single : A 43 GLN : amide:sc= -0.712 K(o=-0.71,f=-1.8) USER MOD Single : A 45 THR OG1 : rot 79:sc= 0.515 USER MOD Single : A 48 LYS NZ :NH3+ 159:sc= 1.23 (180deg=0.901) USER MOD Single : A 53 GLN : amide:sc= -0.478 K(o=-0.48,f=-2.6) USER MOD Single : A 71 LYS NZ :NH3+ -167:sc= 0.874 (180deg=0.588) USER MOD Single : A 75 SER OG : rot 163:sc= 0.0952 USER MOD Single : A 83 HIS : no HE2:sc= -1.47 K(o=-0.57,f=-6!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -79:sc= -0.613 USER MOD Single : A 108 GLN : amide:sc= -1.49 K(o=-1.5,f=-0.18) USER MOD Single : A 112 HIS : no HD1:sc=-0.00175 X(o=-0.0018,f=-0.0021) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 9.821 -2.334 9.765 1.00 0.00 N ATOM 21 CA THR A 2 8.567 -2.990 10.210 1.00 0.00 C ATOM 22 C THR A 2 7.312 -2.352 9.590 1.00 0.00 C ATOM 23 O THR A 2 6.422 -3.048 9.085 1.00 0.00 O ATOM 24 CB THR A 2 8.428 -3.008 11.755 1.00 0.00 C ATOM 25 OG1 THR A 2 9.629 -3.525 12.350 1.00 0.00 O ATOM 26 CG2 THR A 2 7.244 -3.866 12.185 1.00 0.00 C ATOM 0 HA THR A 2 8.640 -4.018 9.854 1.00 0.00 H new ATOM 0 HB THR A 2 8.261 -1.985 12.091 1.00 0.00 H new ATOM 0 HG1 THR A 2 10.401 -3.272 11.802 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.168 -3.862 13.272 1.00 0.00 H new ATOM 0 HG22 THR A 2 6.327 -3.462 11.756 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.389 -4.888 11.835 1.00 0.00 H new ATOM 34 N LEU A 3 7.235 -1.032 9.652 1.00 0.00 N ATOM 35 CA LEU A 3 6.170 -0.281 8.986 1.00 0.00 C ATOM 36 C LEU A 3 6.340 -0.334 7.462 1.00 0.00 C ATOM 37 O LEU A 3 7.120 0.425 6.884 1.00 0.00 O ATOM 38 CB LEU A 3 6.151 1.183 9.468 1.00 0.00 C ATOM 39 CG LEU A 3 5.439 1.441 10.810 1.00 0.00 C ATOM 40 CD1 LEU A 3 3.947 1.136 10.697 1.00 0.00 C ATOM 41 CD2 LEU A 3 6.069 0.628 11.942 1.00 0.00 C ATOM 0 H LEU A 3 7.901 -0.450 10.160 1.00 0.00 H new ATOM 0 HA LEU A 3 5.218 -0.744 9.246 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.181 1.531 9.552 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.671 1.791 8.701 1.00 0.00 H new ATOM 0 HG LEU A 3 5.560 2.497 11.051 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.463 1.325 11.655 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.502 1.775 9.934 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.809 0.091 10.421 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.543 0.834 12.874 1.00 0.00 H new ATOM 0 HD22 LEU A 3 5.996 -0.435 11.711 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.118 0.905 12.049 1.00 0.00 H new ATOM 53 N ILE A 4 5.637 -1.261 6.825 1.00 0.00 N ATOM 54 CA ILE A 4 5.658 -1.380 5.366 1.00 0.00 C ATOM 55 C ILE A 4 4.522 -0.564 4.738 1.00 0.00 C ATOM 56 O ILE A 4 3.445 -0.428 5.321 1.00 0.00 O ATOM 57 CB ILE A 4 5.566 -2.858 4.917 1.00 0.00 C ATOM 58 CG1 ILE A 4 4.336 -3.542 5.541 1.00 0.00 C ATOM 59 CG2 ILE A 4 6.847 -3.604 5.289 1.00 0.00 C ATOM 60 CD1 ILE A 4 4.239 -5.024 5.239 1.00 0.00 C ATOM 0 H ILE A 4 5.043 -1.945 7.294 1.00 0.00 H new ATOM 0 HA ILE A 4 6.611 -0.980 5.019 1.00 0.00 H new ATOM 0 HB ILE A 4 5.452 -2.884 3.833 1.00 0.00 H new ATOM 0 HG12 ILE A 4 4.364 -3.402 6.622 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.435 -3.048 5.179 1.00 0.00 H new ATOM 0 HG21 ILE A 4 6.770 -4.643 4.968 1.00 0.00 H new ATOM 0 HG22 ILE A 4 7.698 -3.134 4.796 1.00 0.00 H new ATOM 0 HG23 ILE A 4 6.988 -3.568 6.369 1.00 0.00 H new ATOM 0 HD11 ILE A 4 3.347 -5.434 5.713 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.178 -5.172 4.161 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.122 -5.533 5.626 1.00 0.00 H new ATOM 72 N TYR A 5 4.764 -0.025 3.547 1.00 0.00 N ATOM 73 CA TYR A 5 3.845 0.937 2.936 1.00 0.00 C ATOM 74 C TYR A 5 3.290 0.453 1.587 1.00 0.00 C ATOM 75 O TYR A 5 3.967 -0.249 0.830 1.00 0.00 O ATOM 76 CB TYR A 5 4.566 2.272 2.724 1.00 0.00 C ATOM 77 CG TYR A 5 5.289 2.798 3.953 1.00 0.00 C ATOM 78 CD1 TYR A 5 4.624 3.556 4.912 1.00 0.00 C ATOM 79 CD2 TYR A 5 6.642 2.542 4.147 1.00 0.00 C ATOM 80 CE1 TYR A 5 5.288 4.041 6.024 1.00 0.00 C ATOM 81 CE2 TYR A 5 7.311 3.027 5.253 1.00 0.00 C ATOM 82 CZ TYR A 5 6.631 3.772 6.190 1.00 0.00 C ATOM 83 OH TYR A 5 7.303 4.263 7.291 1.00 0.00 O ATOM 0 H TYR A 5 5.588 -0.236 2.984 1.00 0.00 H new ATOM 0 HA TYR A 5 3.004 1.052 3.619 1.00 0.00 H new ATOM 0 HB2 TYR A 5 5.287 2.157 1.915 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.839 3.016 2.399 1.00 0.00 H new ATOM 0 HD1 TYR A 5 3.573 3.769 4.786 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.180 1.953 3.419 1.00 0.00 H new ATOM 0 HE1 TYR A 5 4.758 4.628 6.759 1.00 0.00 H new ATOM 0 HE2 TYR A 5 8.364 2.823 5.383 1.00 0.00 H new ATOM 0 HH TYR A 5 8.241 3.980 7.255 1.00 0.00 H new ATOM 93 N LYS A 6 2.050 0.844 1.297 1.00 0.00 N ATOM 94 CA LYS A 6 1.442 0.630 -0.023 1.00 0.00 C ATOM 95 C LYS A 6 0.899 1.951 -0.587 1.00 0.00 C ATOM 96 O LYS A 6 0.079 2.614 0.049 1.00 0.00 O ATOM 97 CB LYS A 6 0.310 -0.404 0.059 1.00 0.00 C ATOM 98 CG LYS A 6 -0.416 -0.628 -1.270 1.00 0.00 C ATOM 99 CD LYS A 6 -1.503 -1.695 -1.158 1.00 0.00 C ATOM 100 CE LYS A 6 -2.291 -1.846 -2.458 1.00 0.00 C ATOM 101 NZ LYS A 6 -1.427 -2.234 -3.606 1.00 0.00 N ATOM 0 H LYS A 6 1.439 1.316 1.963 1.00 0.00 H new ATOM 0 HA LYS A 6 2.215 0.250 -0.691 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.721 -1.353 0.403 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.413 -0.080 0.808 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.862 0.310 -1.602 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.306 -0.925 -2.031 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.048 -2.650 -0.897 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.185 -1.435 -0.349 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.069 -2.598 -2.322 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -2.793 -0.906 -2.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.984 -2.208 -4.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.631 -1.569 -3.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -1.062 -3.196 -3.456 1.00 0.00 H new ATOM 115 N ILE A 7 1.358 2.327 -1.779 1.00 0.00 N ATOM 116 CA ILE A 7 0.924 3.575 -2.418 1.00 0.00 C ATOM 117 C ILE A 7 -0.215 3.327 -3.422 1.00 0.00 C ATOM 118 O ILE A 7 -0.121 2.443 -4.275 1.00 0.00 O ATOM 119 CB ILE A 7 2.102 4.265 -3.153 1.00 0.00 C ATOM 120 CG1 ILE A 7 3.283 4.498 -2.190 1.00 0.00 C ATOM 121 CG2 ILE A 7 1.647 5.588 -3.770 1.00 0.00 C ATOM 122 CD1 ILE A 7 4.497 5.127 -2.845 1.00 0.00 C ATOM 0 H ILE A 7 2.030 1.788 -2.325 1.00 0.00 H new ATOM 0 HA ILE A 7 0.562 4.227 -1.623 1.00 0.00 H new ATOM 0 HB ILE A 7 2.438 3.607 -3.954 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.951 5.138 -1.373 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.574 3.544 -1.750 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.487 6.059 -4.282 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.846 5.400 -4.485 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.284 6.250 -2.984 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.284 5.258 -2.102 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.856 4.478 -3.644 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.225 6.097 -3.260 1.00 0.00 H new ATOM 134 N LEU A 8 -1.287 4.108 -3.308 1.00 0.00 N ATOM 135 CA LEU A 8 -2.420 4.031 -4.246 1.00 0.00 C ATOM 136 C LEU A 8 -3.072 5.412 -4.430 1.00 0.00 C ATOM 137 O LEU A 8 -2.704 6.372 -3.754 1.00 0.00 O ATOM 138 CB LEU A 8 -3.473 3.014 -3.761 1.00 0.00 C ATOM 139 CG LEU A 8 -4.298 3.426 -2.524 1.00 0.00 C ATOM 140 CD1 LEU A 8 -5.421 2.425 -2.267 1.00 0.00 C ATOM 141 CD2 LEU A 8 -3.418 3.560 -1.282 1.00 0.00 C ATOM 0 H LEU A 8 -1.401 4.807 -2.574 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.030 3.695 -5.207 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.162 2.816 -4.582 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.966 2.076 -3.538 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.736 4.402 -2.734 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.990 2.734 -1.390 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.081 2.388 -3.134 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.995 1.437 -2.093 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.033 3.851 -0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.937 2.605 -1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.656 4.320 -1.456 1.00 0.00 H new ATOM 153 N SER A 9 -4.041 5.513 -5.338 1.00 0.00 N ATOM 154 CA SER A 9 -4.743 6.784 -5.574 1.00 0.00 C ATOM 155 C SER A 9 -5.819 7.033 -4.508 1.00 0.00 C ATOM 156 O SER A 9 -6.478 6.098 -4.045 1.00 0.00 O ATOM 157 CB SER A 9 -5.380 6.793 -6.970 1.00 0.00 C ATOM 158 OG SER A 9 -6.127 7.980 -7.197 1.00 0.00 O ATOM 0 H SER A 9 -4.360 4.739 -5.921 1.00 0.00 H new ATOM 0 HA SER A 9 -4.007 7.586 -5.511 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.601 6.703 -7.727 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.032 5.926 -7.079 1.00 0.00 H new ATOM 0 HG SER A 9 -5.514 8.722 -7.381 1.00 0.00 H new ATOM 164 N ARG A 10 -5.996 8.299 -4.123 1.00 0.00 N ATOM 165 CA ARG A 10 -6.964 8.665 -3.079 1.00 0.00 C ATOM 166 C ARG A 10 -8.379 8.170 -3.418 1.00 0.00 C ATOM 167 O ARG A 10 -9.078 7.629 -2.560 1.00 0.00 O ATOM 168 CB ARG A 10 -6.982 10.187 -2.865 1.00 0.00 C ATOM 169 CG ARG A 10 -7.879 10.631 -1.711 1.00 0.00 C ATOM 170 CD ARG A 10 -7.318 10.196 -0.361 1.00 0.00 C ATOM 171 NE ARG A 10 -8.348 10.083 0.663 1.00 0.00 N ATOM 172 CZ ARG A 10 -8.096 9.927 1.932 1.00 0.00 C ATOM 173 NH1 ARG A 10 -6.888 10.032 2.385 1.00 0.00 N ATOM 174 NH2 ARG A 10 -9.061 9.698 2.754 1.00 0.00 N ATOM 0 H ARG A 10 -5.484 9.089 -4.516 1.00 0.00 H new ATOM 0 HA ARG A 10 -6.645 8.177 -2.158 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.965 10.531 -2.677 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.318 10.671 -3.782 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.985 11.716 -1.729 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -8.876 10.211 -1.843 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.815 9.235 -0.473 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.565 10.914 -0.036 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.324 10.129 0.369 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.120 10.239 1.746 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.704 9.908 3.381 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.020 9.639 2.411 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.866 9.576 3.748 1.00 0.00 H new ATOM 188 N ALA A 11 -8.787 8.354 -4.674 1.00 0.00 N ATOM 189 CA ALA A 11 -10.097 7.890 -5.148 1.00 0.00 C ATOM 190 C ALA A 11 -10.326 6.401 -4.837 1.00 0.00 C ATOM 191 O ALA A 11 -11.438 5.988 -4.494 1.00 0.00 O ATOM 192 CB ALA A 11 -10.226 8.139 -6.648 1.00 0.00 C ATOM 0 H ALA A 11 -8.228 8.823 -5.387 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.861 8.457 -4.617 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.200 7.792 -6.992 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.129 9.206 -6.849 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.441 7.597 -7.176 1.00 0.00 H new ATOM 198 N GLU A 12 -9.266 5.603 -4.955 1.00 0.00 N ATOM 199 CA GLU A 12 -9.332 4.168 -4.655 1.00 0.00 C ATOM 200 C GLU A 12 -9.435 3.929 -3.141 1.00 0.00 C ATOM 201 O GLU A 12 -10.204 3.082 -2.680 1.00 0.00 O ATOM 202 CB GLU A 12 -8.087 3.449 -5.206 1.00 0.00 C ATOM 203 CG GLU A 12 -7.843 3.684 -6.694 1.00 0.00 C ATOM 204 CD GLU A 12 -6.624 2.941 -7.219 1.00 0.00 C ATOM 205 OE1 GLU A 12 -5.490 3.442 -7.046 1.00 0.00 O ATOM 206 OE2 GLU A 12 -6.796 1.860 -7.824 1.00 0.00 O ATOM 0 H GLU A 12 -8.346 5.925 -5.257 1.00 0.00 H new ATOM 0 HA GLU A 12 -10.224 3.765 -5.135 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -7.212 3.781 -4.648 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.190 2.378 -5.030 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.723 3.370 -7.255 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -7.716 4.752 -6.872 1.00 0.00 H new ATOM 213 N TRP A 13 -8.660 4.696 -2.375 1.00 0.00 N ATOM 214 CA TRP A 13 -8.613 4.548 -0.915 1.00 0.00 C ATOM 215 C TRP A 13 -9.961 4.883 -0.254 1.00 0.00 C ATOM 216 O TRP A 13 -10.460 4.114 0.566 1.00 0.00 O ATOM 217 CB TRP A 13 -7.503 5.429 -0.326 1.00 0.00 C ATOM 218 CG TRP A 13 -7.454 5.413 1.176 1.00 0.00 C ATOM 219 CD1 TRP A 13 -7.505 6.496 2.006 1.00 0.00 C ATOM 220 CD2 TRP A 13 -7.353 4.262 2.026 1.00 0.00 C ATOM 221 NE1 TRP A 13 -7.428 6.094 3.312 1.00 0.00 N ATOM 222 CE2 TRP A 13 -7.340 4.728 3.354 1.00 0.00 C ATOM 223 CE3 TRP A 13 -7.272 2.882 1.796 1.00 0.00 C ATOM 224 CZ2 TRP A 13 -7.249 3.868 4.444 1.00 0.00 C ATOM 225 CZ3 TRP A 13 -7.184 2.030 2.882 1.00 0.00 C ATOM 226 CH2 TRP A 13 -7.174 2.525 4.192 1.00 0.00 C ATOM 0 H TRP A 13 -8.053 5.430 -2.740 1.00 0.00 H new ATOM 0 HA TRP A 13 -8.396 3.501 -0.703 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -6.541 5.096 -0.716 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -7.647 6.455 -0.665 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -7.593 7.522 1.679 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -7.435 6.712 4.123 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -7.278 2.491 0.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -7.238 4.248 5.455 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -7.122 0.965 2.717 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -7.106 1.834 5.019 1.00 0.00 H new ATOM 237 N ASP A 14 -10.545 6.030 -0.606 1.00 0.00 N ATOM 238 CA ASP A 14 -11.840 6.438 -0.042 1.00 0.00 C ATOM 239 C ASP A 14 -12.934 5.388 -0.318 1.00 0.00 C ATOM 240 O ASP A 14 -13.770 5.107 0.545 1.00 0.00 O ATOM 241 CB ASP A 14 -12.264 7.810 -0.586 1.00 0.00 C ATOM 242 CG ASP A 14 -11.396 8.940 -0.054 1.00 0.00 C ATOM 243 OD1 ASP A 14 -11.178 8.998 1.172 1.00 0.00 O ATOM 244 OD2 ASP A 14 -10.936 9.781 -0.853 1.00 0.00 O ATOM 0 H ASP A 14 -10.148 6.691 -1.274 1.00 0.00 H new ATOM 0 HA ASP A 14 -11.716 6.515 1.038 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -12.212 7.798 -1.675 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -13.304 7.998 -0.319 1.00 0.00 H new ATOM 249 N ALA A 15 -12.917 4.810 -1.521 1.00 0.00 N ATOM 250 CA ALA A 15 -13.849 3.736 -1.882 1.00 0.00 C ATOM 251 C ALA A 15 -13.657 2.506 -0.981 1.00 0.00 C ATOM 252 O ALA A 15 -14.615 1.985 -0.407 1.00 0.00 O ATOM 253 CB ALA A 15 -13.671 3.358 -3.348 1.00 0.00 C ATOM 0 H ALA A 15 -12.267 5.067 -2.264 1.00 0.00 H new ATOM 0 HA ALA A 15 -14.865 4.102 -1.732 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.368 2.560 -3.605 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.868 4.228 -3.975 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -12.650 3.015 -3.514 1.00 0.00 H new ATOM 259 N ALA A 16 -12.411 2.051 -0.854 1.00 0.00 N ATOM 260 CA ALA A 16 -12.084 0.925 0.025 1.00 0.00 C ATOM 261 C ALA A 16 -12.473 1.220 1.483 1.00 0.00 C ATOM 262 O ALA A 16 -13.016 0.365 2.183 1.00 0.00 O ATOM 263 CB ALA A 16 -10.598 0.608 -0.074 1.00 0.00 C ATOM 0 H ALA A 16 -11.610 2.444 -1.348 1.00 0.00 H new ATOM 0 HA ALA A 16 -12.660 0.059 -0.301 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -10.360 -0.230 0.581 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.350 0.346 -1.102 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.019 1.481 0.228 1.00 0.00 H new ATOM 269 N LYS A 17 -12.201 2.449 1.921 1.00 0.00 N ATOM 270 CA LYS A 17 -12.543 2.903 3.274 1.00 0.00 C ATOM 271 C LYS A 17 -14.068 2.905 3.494 1.00 0.00 C ATOM 272 O LYS A 17 -14.547 2.698 4.611 1.00 0.00 O ATOM 273 CB LYS A 17 -11.965 4.308 3.508 1.00 0.00 C ATOM 274 CG LYS A 17 -12.253 4.886 4.893 1.00 0.00 C ATOM 275 CD LYS A 17 -11.767 6.330 5.016 1.00 0.00 C ATOM 276 CE LYS A 17 -10.246 6.436 4.986 1.00 0.00 C ATOM 277 NZ LYS A 17 -9.616 5.847 6.200 1.00 0.00 N ATOM 0 H LYS A 17 -11.739 3.158 1.352 1.00 0.00 H new ATOM 0 HA LYS A 17 -12.107 2.209 3.992 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.886 4.273 3.359 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.369 4.984 2.754 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.324 4.845 5.089 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.767 4.273 5.652 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.186 6.922 4.202 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.140 6.758 5.946 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.866 5.929 4.099 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.958 7.484 4.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.727 6.346 6.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.263 5.943 7.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.417 4.840 6.034 1.00 0.00 H new ATOM 291 N ALA A 18 -14.826 3.148 2.424 1.00 0.00 N ATOM 292 CA ALA A 18 -16.293 3.086 2.483 1.00 0.00 C ATOM 293 C ALA A 18 -16.778 1.640 2.677 1.00 0.00 C ATOM 294 O ALA A 18 -17.707 1.380 3.441 1.00 0.00 O ATOM 295 CB ALA A 18 -16.901 3.689 1.219 1.00 0.00 C ATOM 0 H ALA A 18 -14.452 3.389 1.506 1.00 0.00 H new ATOM 0 HA ALA A 18 -16.623 3.669 3.343 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -17.988 3.636 1.277 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -16.593 4.731 1.128 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -16.557 3.132 0.348 1.00 0.00 H new ATOM 301 N GLN A 19 -16.131 0.704 1.982 1.00 0.00 N ATOM 302 CA GLN A 19 -16.458 -0.724 2.100 1.00 0.00 C ATOM 303 C GLN A 19 -15.899 -1.326 3.400 1.00 0.00 C ATOM 304 O GLN A 19 -16.460 -2.269 3.960 1.00 0.00 O ATOM 305 CB GLN A 19 -15.869 -1.502 0.915 1.00 0.00 C ATOM 306 CG GLN A 19 -16.200 -0.919 -0.450 1.00 0.00 C ATOM 307 CD GLN A 19 -15.623 -1.740 -1.595 1.00 0.00 C ATOM 308 OE1 GLN A 19 -15.517 -2.958 -1.512 1.00 0.00 O ATOM 309 NE2 GLN A 19 -15.235 -1.078 -2.665 1.00 0.00 N ATOM 0 H GLN A 19 -15.374 0.906 1.328 1.00 0.00 H new ATOM 0 HA GLN A 19 -17.545 -0.806 2.108 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -14.785 -1.542 1.026 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -16.232 -2.529 0.955 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -17.283 -0.858 -0.562 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -15.816 0.099 -0.509 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -15.337 -0.064 -2.702 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -14.832 -1.579 -3.457 1.00 0.00 H new ATOM 318 N GLY A 20 -14.776 -0.779 3.860 1.00 0.00 N ATOM 319 CA GLY A 20 -14.040 -1.374 4.970 1.00 0.00 C ATOM 320 C GLY A 20 -13.033 -2.422 4.495 1.00 0.00 C ATOM 321 O GLY A 20 -12.315 -3.022 5.296 1.00 0.00 O ATOM 0 H GLY A 20 -14.358 0.072 3.482 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -13.516 -0.591 5.519 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -14.742 -1.835 5.665 1.00 0.00 H new ATOM 325 N ARG A 21 -12.961 -2.614 3.178 1.00 0.00 N ATOM 326 CA ARG A 21 -12.100 -3.641 2.578 1.00 0.00 C ATOM 327 C ARG A 21 -11.435 -3.149 1.285 1.00 0.00 C ATOM 328 O ARG A 21 -12.016 -2.367 0.535 1.00 0.00 O ATOM 329 CB ARG A 21 -12.925 -4.902 2.275 1.00 0.00 C ATOM 330 CG ARG A 21 -14.311 -4.596 1.714 1.00 0.00 C ATOM 331 CD ARG A 21 -14.963 -5.816 1.068 1.00 0.00 C ATOM 332 NE ARG A 21 -14.554 -5.983 -0.329 1.00 0.00 N ATOM 333 CZ ARG A 21 -15.181 -6.739 -1.190 1.00 0.00 C ATOM 334 NH1 ARG A 21 -16.209 -7.441 -0.831 1.00 0.00 N ATOM 335 NH2 ARG A 21 -14.775 -6.787 -2.413 1.00 0.00 N ATOM 0 H ARG A 21 -13.492 -2.069 2.499 1.00 0.00 H new ATOM 0 HA ARG A 21 -11.313 -3.869 3.297 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -12.381 -5.521 1.562 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -13.031 -5.486 3.189 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.951 -4.228 2.516 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -14.233 -3.797 0.977 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -14.698 -6.710 1.632 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -16.047 -5.717 1.119 1.00 0.00 H new ATOM 0 HE ARG A 21 -13.728 -5.477 -0.649 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -16.538 -7.407 0.134 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -16.690 -8.027 -1.513 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -13.968 -6.236 -2.704 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -15.261 -7.376 -3.089 1.00 0.00 H new ATOM 349 N PHE A 22 -10.215 -3.616 1.039 1.00 0.00 N ATOM 350 CA PHE A 22 -9.518 -3.355 -0.224 1.00 0.00 C ATOM 351 C PHE A 22 -9.018 -4.671 -0.838 1.00 0.00 C ATOM 352 O PHE A 22 -7.996 -5.223 -0.419 1.00 0.00 O ATOM 353 CB PHE A 22 -8.341 -2.387 -0.008 1.00 0.00 C ATOM 354 CG PHE A 22 -7.589 -2.047 -1.277 1.00 0.00 C ATOM 355 CD1 PHE A 22 -8.069 -1.075 -2.144 1.00 0.00 C ATOM 356 CD2 PHE A 22 -6.408 -2.704 -1.605 1.00 0.00 C ATOM 357 CE1 PHE A 22 -7.390 -0.766 -3.309 1.00 0.00 C ATOM 358 CE2 PHE A 22 -5.727 -2.397 -2.768 1.00 0.00 C ATOM 359 CZ PHE A 22 -6.218 -1.429 -3.621 1.00 0.00 C ATOM 0 H PHE A 22 -9.682 -4.181 1.700 1.00 0.00 H new ATOM 0 HA PHE A 22 -10.222 -2.890 -0.914 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -8.717 -1.466 0.438 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -7.647 -2.828 0.708 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -8.984 -0.553 -1.906 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.018 -3.463 -0.943 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.775 -0.007 -3.974 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.810 -2.915 -3.009 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.687 -1.190 -4.531 1.00 0.00 H new ATOM 369 N GLU A 23 -9.760 -5.186 -1.810 1.00 0.00 N ATOM 370 CA GLU A 23 -9.368 -6.412 -2.515 1.00 0.00 C ATOM 371 C GLU A 23 -8.169 -6.169 -3.448 1.00 0.00 C ATOM 372 O GLU A 23 -7.831 -5.027 -3.765 1.00 0.00 O ATOM 373 CB GLU A 23 -10.551 -6.998 -3.311 1.00 0.00 C ATOM 374 CG GLU A 23 -11.173 -6.055 -4.348 1.00 0.00 C ATOM 375 CD GLU A 23 -12.022 -4.945 -3.733 1.00 0.00 C ATOM 376 OE1 GLU A 23 -12.588 -5.159 -2.637 1.00 0.00 O ATOM 377 OE2 GLU A 23 -12.142 -3.868 -4.352 1.00 0.00 O ATOM 0 H GLU A 23 -10.638 -4.778 -2.132 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.067 -7.135 -1.757 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.213 -7.900 -3.821 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -11.327 -7.301 -2.608 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.377 -5.606 -4.942 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.791 -6.637 -5.032 1.00 0.00 H new ATOM 384 N GLY A 24 -7.525 -7.253 -3.877 1.00 0.00 N ATOM 385 CA GLY A 24 -6.367 -7.138 -4.756 1.00 0.00 C ATOM 386 C GLY A 24 -6.705 -6.546 -6.124 1.00 0.00 C ATOM 387 O GLY A 24 -7.397 -7.176 -6.924 1.00 0.00 O ATOM 0 H GLY A 24 -7.783 -8.209 -3.633 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.614 -6.515 -4.274 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.924 -8.124 -4.894 1.00 0.00 H new ATOM 391 N SER A 25 -6.223 -5.332 -6.385 1.00 0.00 N ATOM 392 CA SER A 25 -6.436 -4.671 -7.682 1.00 0.00 C ATOM 393 C SER A 25 -5.695 -5.394 -8.814 1.00 0.00 C ATOM 394 O SER A 25 -4.721 -6.112 -8.572 1.00 0.00 O ATOM 395 CB SER A 25 -5.971 -3.211 -7.622 1.00 0.00 C ATOM 396 OG SER A 25 -6.029 -2.597 -8.902 1.00 0.00 O ATOM 0 H SER A 25 -5.681 -4.782 -5.718 1.00 0.00 H new ATOM 0 HA SER A 25 -7.505 -4.707 -7.892 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.596 -2.657 -6.922 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.950 -3.168 -7.242 1.00 0.00 H new ATOM 0 HG SER A 25 -5.729 -1.667 -8.833 1.00 0.00 H new ATOM 402 N ALA A 26 -6.148 -5.181 -10.050 1.00 0.00 N ATOM 403 CA ALA A 26 -5.538 -5.809 -11.231 1.00 0.00 C ATOM 404 C ALA A 26 -4.015 -5.603 -11.270 1.00 0.00 C ATOM 405 O ALA A 26 -3.268 -6.494 -11.670 1.00 0.00 O ATOM 406 CB ALA A 26 -6.176 -5.261 -12.503 1.00 0.00 C ATOM 0 H ALA A 26 -6.940 -4.575 -10.264 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.721 -6.881 -11.166 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.717 -5.732 -13.372 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.245 -5.475 -12.496 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.023 -4.183 -12.552 1.00 0.00 H new ATOM 412 N VAL A 27 -3.564 -4.423 -10.842 1.00 0.00 N ATOM 413 CA VAL A 27 -2.130 -4.111 -10.792 1.00 0.00 C ATOM 414 C VAL A 27 -1.388 -5.043 -9.813 1.00 0.00 C ATOM 415 O VAL A 27 -0.349 -5.623 -10.147 1.00 0.00 O ATOM 416 CB VAL A 27 -1.891 -2.636 -10.373 1.00 0.00 C ATOM 417 CG1 VAL A 27 -0.398 -2.304 -10.363 1.00 0.00 C ATOM 418 CG2 VAL A 27 -2.654 -1.682 -11.292 1.00 0.00 C ATOM 0 H VAL A 27 -4.169 -3.666 -10.524 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.736 -4.265 -11.797 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.270 -2.508 -9.359 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.258 -1.265 -10.066 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.115 -2.956 -9.655 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.015 -2.455 -11.360 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.472 -0.653 -10.980 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.313 -1.816 -12.319 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.721 -1.896 -11.233 1.00 0.00 H new ATOM 428 N ASP A 28 -1.927 -5.180 -8.601 1.00 0.00 N ATOM 429 CA ASP A 28 -1.349 -6.074 -7.593 1.00 0.00 C ATOM 430 C ASP A 28 -1.380 -7.537 -8.061 1.00 0.00 C ATOM 431 O ASP A 28 -0.385 -8.251 -7.958 1.00 0.00 O ATOM 432 CB ASP A 28 -2.088 -5.922 -6.258 1.00 0.00 C ATOM 433 CG ASP A 28 -1.807 -4.584 -5.592 1.00 0.00 C ATOM 434 OD1 ASP A 28 -0.834 -4.494 -4.809 1.00 0.00 O ATOM 435 OD2 ASP A 28 -2.545 -3.615 -5.853 1.00 0.00 O ATOM 0 H ASP A 28 -2.763 -4.684 -8.292 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.306 -5.791 -7.452 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.160 -6.024 -6.425 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.792 -6.729 -5.587 1.00 0.00 H new ATOM 440 N LEU A 29 -2.520 -7.968 -8.589 1.00 0.00 N ATOM 441 CA LEU A 29 -2.670 -9.334 -9.101 1.00 0.00 C ATOM 442 C LEU A 29 -1.754 -9.591 -10.313 1.00 0.00 C ATOM 443 O LEU A 29 -1.263 -10.703 -10.504 1.00 0.00 O ATOM 444 CB LEU A 29 -4.135 -9.596 -9.474 1.00 0.00 C ATOM 445 CG LEU A 29 -5.139 -9.463 -8.313 1.00 0.00 C ATOM 446 CD1 LEU A 29 -6.566 -9.686 -8.802 1.00 0.00 C ATOM 447 CD2 LEU A 29 -4.795 -10.436 -7.185 1.00 0.00 C ATOM 0 H LEU A 29 -3.358 -7.393 -8.676 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.371 -10.023 -8.311 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.422 -8.902 -10.264 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.214 -10.601 -9.889 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.070 -8.449 -7.920 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.257 -9.587 -7.965 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.810 -8.945 -9.563 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.653 -10.686 -9.228 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.517 -10.325 -6.376 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.828 -11.458 -7.563 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.794 -10.220 -6.811 1.00 0.00 H new ATOM 459 N ALA A 30 -1.528 -8.555 -11.121 1.00 0.00 N ATOM 460 CA ALA A 30 -0.634 -8.649 -12.284 1.00 0.00 C ATOM 461 C ALA A 30 0.821 -8.923 -11.865 1.00 0.00 C ATOM 462 O ALA A 30 1.551 -9.648 -12.544 1.00 0.00 O ATOM 463 CB ALA A 30 -0.715 -7.370 -13.111 1.00 0.00 C ATOM 0 H ALA A 30 -1.952 -7.636 -10.994 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.965 -9.492 -12.891 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.049 -7.450 -13.970 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.738 -7.225 -13.457 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.416 -6.520 -12.497 1.00 0.00 H new ATOM 469 N ASP A 31 1.242 -8.324 -10.753 1.00 0.00 N ATOM 470 CA ASP A 31 2.589 -8.553 -10.209 1.00 0.00 C ATOM 471 C ASP A 31 2.648 -9.858 -9.392 1.00 0.00 C ATOM 472 O ASP A 31 3.520 -10.706 -9.605 1.00 0.00 O ATOM 473 CB ASP A 31 3.012 -7.366 -9.336 1.00 0.00 C ATOM 474 CG ASP A 31 4.421 -7.526 -8.789 1.00 0.00 C ATOM 475 OD1 ASP A 31 5.382 -7.222 -9.518 1.00 0.00 O ATOM 476 OD2 ASP A 31 4.574 -7.963 -7.626 1.00 0.00 O ATOM 0 H ASP A 31 0.674 -7.676 -10.208 1.00 0.00 H new ATOM 0 HA ASP A 31 3.280 -8.648 -11.047 1.00 0.00 H new ATOM 0 HB2 ASP A 31 2.954 -6.448 -9.921 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.312 -7.260 -8.507 1.00 0.00 H new ATOM 481 N GLY A 32 1.722 -10.001 -8.450 1.00 0.00 N ATOM 482 CA GLY A 32 1.668 -11.187 -7.603 1.00 0.00 C ATOM 483 C GLY A 32 1.022 -10.906 -6.248 1.00 0.00 C ATOM 484 O GLY A 32 1.704 -10.883 -5.221 1.00 0.00 O ATOM 0 H GLY A 32 0.998 -9.310 -8.254 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.108 -11.970 -8.114 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.678 -11.567 -7.449 1.00 0.00 H new ATOM 488 N PHE A 33 -0.300 -10.694 -6.256 1.00 0.00 N ATOM 489 CA PHE A 33 -1.065 -10.356 -5.040 1.00 0.00 C ATOM 490 C PHE A 33 -0.711 -8.950 -4.520 1.00 0.00 C ATOM 491 O PHE A 33 0.071 -8.223 -5.138 1.00 0.00 O ATOM 492 CB PHE A 33 -0.858 -11.410 -3.936 1.00 0.00 C ATOM 493 CG PHE A 33 -1.410 -12.773 -4.285 1.00 0.00 C ATOM 494 CD1 PHE A 33 -0.653 -13.682 -5.013 1.00 0.00 C ATOM 495 CD2 PHE A 33 -2.689 -13.143 -3.889 1.00 0.00 C ATOM 496 CE1 PHE A 33 -1.159 -14.927 -5.337 1.00 0.00 C ATOM 497 CE2 PHE A 33 -3.197 -14.388 -4.209 1.00 0.00 C ATOM 498 CZ PHE A 33 -2.432 -15.280 -4.935 1.00 0.00 C ATOM 0 H PHE A 33 -0.871 -10.751 -7.099 1.00 0.00 H new ATOM 0 HA PHE A 33 -2.120 -10.355 -5.315 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.208 -11.502 -3.729 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.332 -11.060 -3.019 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.344 -13.413 -5.330 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.294 -12.449 -3.324 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.559 -15.623 -5.904 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.192 -14.663 -3.891 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.829 -16.252 -5.188 1.00 0.00 H new ATOM 508 N ILE A 34 -1.293 -8.564 -3.384 1.00 0.00 N ATOM 509 CA ILE A 34 -1.103 -7.215 -2.839 1.00 0.00 C ATOM 510 C ILE A 34 0.374 -6.942 -2.503 1.00 0.00 C ATOM 511 O ILE A 34 0.899 -7.416 -1.495 1.00 0.00 O ATOM 512 CB ILE A 34 -1.982 -6.986 -1.584 1.00 0.00 C ATOM 513 CG1 ILE A 34 -3.465 -7.209 -1.935 1.00 0.00 C ATOM 514 CG2 ILE A 34 -1.760 -5.583 -1.013 1.00 0.00 C ATOM 515 CD1 ILE A 34 -4.417 -6.998 -0.776 1.00 0.00 C ATOM 0 H ILE A 34 -1.899 -9.163 -2.823 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.413 -6.514 -3.614 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.693 -7.705 -0.817 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.741 -6.533 -2.744 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.589 -8.224 -2.312 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.388 -5.445 -0.133 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.713 -5.465 -0.734 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.021 -4.839 -1.765 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.440 -7.175 -1.108 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.171 -7.692 0.028 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.326 -5.975 -0.412 1.00 0.00 H new ATOM 527 N HIS A 35 1.041 -6.179 -3.364 1.00 0.00 N ATOM 528 CA HIS A 35 2.466 -5.893 -3.190 1.00 0.00 C ATOM 529 C HIS A 35 2.708 -4.677 -2.282 1.00 0.00 C ATOM 530 O HIS A 35 2.473 -3.531 -2.672 1.00 0.00 O ATOM 531 CB HIS A 35 3.154 -5.700 -4.553 1.00 0.00 C ATOM 532 CG HIS A 35 2.436 -4.780 -5.496 1.00 0.00 C ATOM 533 ND1 HIS A 35 2.262 -3.434 -5.261 1.00 0.00 N ATOM 534 CD2 HIS A 35 1.848 -5.025 -6.690 1.00 0.00 C ATOM 535 CE1 HIS A 35 1.601 -2.893 -6.263 1.00 0.00 C ATOM 536 NE2 HIS A 35 1.336 -3.834 -7.145 1.00 0.00 N ATOM 0 H HIS A 35 0.621 -5.748 -4.188 1.00 0.00 H new ATOM 0 HA HIS A 35 2.908 -6.757 -2.694 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.159 -5.313 -4.385 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.263 -6.674 -5.030 1.00 0.00 H new ATOM 0 HD1 HIS A 35 2.594 -2.933 -4.437 1.00 0.00 H new ATOM 0 HD2 HIS A 35 1.792 -5.980 -7.192 1.00 0.00 H new ATOM 0 HE1 HIS A 35 1.323 -1.853 -6.347 1.00 0.00 H new ATOM 545 N LEU A 36 3.160 -4.945 -1.062 1.00 0.00 N ATOM 546 CA LEU A 36 3.583 -3.893 -0.140 1.00 0.00 C ATOM 547 C LEU A 36 5.092 -3.641 -0.312 1.00 0.00 C ATOM 548 O LEU A 36 5.791 -4.442 -0.936 1.00 0.00 O ATOM 549 CB LEU A 36 3.264 -4.304 1.307 1.00 0.00 C ATOM 550 CG LEU A 36 1.820 -4.789 1.547 1.00 0.00 C ATOM 551 CD1 LEU A 36 1.615 -5.224 2.995 1.00 0.00 C ATOM 552 CD2 LEU A 36 0.815 -3.708 1.168 1.00 0.00 C ATOM 0 H LEU A 36 3.244 -5.889 -0.685 1.00 0.00 H new ATOM 0 HA LEU A 36 3.043 -2.973 -0.362 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.951 -5.097 1.603 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.458 -3.454 1.961 1.00 0.00 H new ATOM 0 HG LEU A 36 1.653 -5.656 0.908 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.587 -5.560 3.132 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.298 -6.040 3.230 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.813 -4.383 3.659 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.197 -4.073 1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.991 -2.819 1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.930 -3.458 0.113 1.00 0.00 H new ATOM 564 N SER A 37 5.601 -2.541 0.234 1.00 0.00 N ATOM 565 CA SER A 37 7.025 -2.198 0.067 1.00 0.00 C ATOM 566 C SER A 37 7.621 -1.573 1.332 1.00 0.00 C ATOM 567 O SER A 37 6.971 -0.782 2.012 1.00 0.00 O ATOM 568 CB SER A 37 7.209 -1.239 -1.121 1.00 0.00 C ATOM 569 OG SER A 37 6.496 -0.024 -0.931 1.00 0.00 O ATOM 0 H SER A 37 5.065 -1.875 0.790 1.00 0.00 H new ATOM 0 HA SER A 37 7.558 -3.129 -0.127 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.269 -1.022 -1.253 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.866 -1.723 -2.036 1.00 0.00 H new ATOM 0 HG SER A 37 5.696 -0.195 -0.391 1.00 0.00 H new ATOM 575 N ALA A 38 8.863 -1.942 1.647 1.00 0.00 N ATOM 576 CA ALA A 38 9.578 -1.354 2.785 1.00 0.00 C ATOM 577 C ALA A 38 9.904 0.126 2.524 1.00 0.00 C ATOM 578 O ALA A 38 9.975 0.551 1.374 1.00 0.00 O ATOM 579 CB ALA A 38 10.855 -2.141 3.072 1.00 0.00 C ATOM 0 H ALA A 38 9.396 -2.644 1.133 1.00 0.00 H new ATOM 0 HA ALA A 38 8.930 -1.407 3.660 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.376 -1.694 3.919 1.00 0.00 H new ATOM 0 HB2 ALA A 38 10.600 -3.174 3.307 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.502 -2.117 2.195 1.00 0.00 H new ATOM 585 N GLY A 39 10.121 0.894 3.594 1.00 0.00 N ATOM 586 CA GLY A 39 10.376 2.337 3.469 1.00 0.00 C ATOM 587 C GLY A 39 11.364 2.711 2.359 1.00 0.00 C ATOM 588 O GLY A 39 11.096 3.604 1.551 1.00 0.00 O ATOM 0 H GLY A 39 10.126 0.547 4.553 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.430 2.846 3.284 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.758 2.710 4.419 1.00 0.00 H new ATOM 592 N GLU A 40 12.502 2.024 2.315 1.00 0.00 N ATOM 593 CA GLU A 40 13.533 2.287 1.303 1.00 0.00 C ATOM 594 C GLU A 40 13.038 1.933 -0.114 1.00 0.00 C ATOM 595 O GLU A 40 13.259 2.679 -1.074 1.00 0.00 O ATOM 596 CB GLU A 40 14.806 1.488 1.637 1.00 0.00 C ATOM 597 CG GLU A 40 15.357 1.761 3.037 1.00 0.00 C ATOM 598 CD GLU A 40 16.661 1.026 3.320 1.00 0.00 C ATOM 599 OE1 GLU A 40 17.735 1.562 2.978 1.00 0.00 O ATOM 600 OE2 GLU A 40 16.620 -0.092 3.879 1.00 0.00 O ATOM 0 H GLU A 40 12.738 1.278 2.969 1.00 0.00 H new ATOM 0 HA GLU A 40 13.759 3.353 1.318 1.00 0.00 H new ATOM 0 HB2 GLU A 40 14.591 0.424 1.543 1.00 0.00 H new ATOM 0 HB3 GLU A 40 15.575 1.724 0.902 1.00 0.00 H new ATOM 0 HG2 GLU A 40 15.518 2.833 3.155 1.00 0.00 H new ATOM 0 HG3 GLU A 40 14.613 1.467 3.777 1.00 0.00 H new ATOM 607 N GLN A 41 12.356 0.794 -0.228 1.00 0.00 N ATOM 608 CA GLN A 41 11.821 0.316 -1.510 1.00 0.00 C ATOM 609 C GLN A 41 10.720 1.250 -2.045 1.00 0.00 C ATOM 610 O GLN A 41 10.648 1.529 -3.246 1.00 0.00 O ATOM 611 CB GLN A 41 11.255 -1.102 -1.342 1.00 0.00 C ATOM 612 CG GLN A 41 12.286 -2.142 -0.908 1.00 0.00 C ATOM 613 CD GLN A 41 11.661 -3.495 -0.603 1.00 0.00 C ATOM 614 OE1 GLN A 41 10.518 -3.580 -0.158 1.00 0.00 O ATOM 615 NE2 GLN A 41 12.396 -4.560 -0.845 1.00 0.00 N ATOM 0 H GLN A 41 12.157 0.177 0.559 1.00 0.00 H new ATOM 0 HA GLN A 41 12.638 0.306 -2.231 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.451 -1.075 -0.606 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.812 -1.418 -2.286 1.00 0.00 H new ATOM 0 HG2 GLN A 41 13.031 -2.259 -1.695 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.811 -1.781 -0.023 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.341 -4.454 -1.214 1.00 0.00 H new ATOM 0 HE22 GLN A 41 12.021 -5.491 -0.663 1.00 0.00 H new ATOM 624 N ALA A 42 9.866 1.718 -1.138 1.00 0.00 N ATOM 625 CA ALA A 42 8.765 2.620 -1.482 1.00 0.00 C ATOM 626 C ALA A 42 9.279 3.942 -2.067 1.00 0.00 C ATOM 627 O ALA A 42 8.820 4.384 -3.119 1.00 0.00 O ATOM 628 CB ALA A 42 7.903 2.886 -0.252 1.00 0.00 C ATOM 0 H ALA A 42 9.916 1.485 -0.146 1.00 0.00 H new ATOM 0 HA ALA A 42 8.160 2.133 -2.247 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.087 3.558 -0.518 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.493 1.945 0.116 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.512 3.345 0.527 1.00 0.00 H new ATOM 634 N GLN A 43 10.241 4.558 -1.379 1.00 0.00 N ATOM 635 CA GLN A 43 10.825 5.831 -1.823 1.00 0.00 C ATOM 636 C GLN A 43 11.397 5.703 -3.248 1.00 0.00 C ATOM 637 O GLN A 43 11.095 6.516 -4.127 1.00 0.00 O ATOM 638 CB GLN A 43 11.922 6.278 -0.832 1.00 0.00 C ATOM 639 CG GLN A 43 12.225 7.782 -0.846 1.00 0.00 C ATOM 640 CD GLN A 43 12.901 8.268 -2.121 1.00 0.00 C ATOM 641 OE1 GLN A 43 13.657 7.544 -2.755 1.00 0.00 O ATOM 642 NE2 GLN A 43 12.641 9.503 -2.501 1.00 0.00 N ATOM 0 H GLN A 43 10.635 4.198 -0.510 1.00 0.00 H new ATOM 0 HA GLN A 43 10.041 6.588 -1.845 1.00 0.00 H new ATOM 0 HB2 GLN A 43 11.621 5.991 0.176 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.839 5.734 -1.057 1.00 0.00 H new ATOM 0 HG2 GLN A 43 11.293 8.331 -0.710 1.00 0.00 H new ATOM 0 HG3 GLN A 43 12.863 8.021 0.005 1.00 0.00 H new ATOM 0 HE21 GLN A 43 12.006 10.083 -1.952 1.00 0.00 H new ATOM 0 HE22 GLN A 43 13.074 9.879 -3.344 1.00 0.00 H new ATOM 651 N GLU A 44 12.213 4.671 -3.467 1.00 0.00 N ATOM 652 CA GLU A 44 12.819 4.417 -4.781 1.00 0.00 C ATOM 653 C GLU A 44 11.755 4.240 -5.877 1.00 0.00 C ATOM 654 O GLU A 44 11.753 4.951 -6.886 1.00 0.00 O ATOM 655 CB GLU A 44 13.697 3.158 -4.720 1.00 0.00 C ATOM 656 CG GLU A 44 14.396 2.836 -6.037 1.00 0.00 C ATOM 657 CD GLU A 44 14.987 1.436 -6.072 1.00 0.00 C ATOM 658 OE1 GLU A 44 15.993 1.187 -5.376 1.00 0.00 O ATOM 659 OE2 GLU A 44 14.454 0.575 -6.807 1.00 0.00 O ATOM 0 H GLU A 44 12.472 3.993 -2.750 1.00 0.00 H new ATOM 0 HA GLU A 44 13.427 5.286 -5.034 1.00 0.00 H new ATOM 0 HB2 GLU A 44 14.449 3.287 -3.941 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.079 2.308 -4.429 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.684 2.944 -6.855 1.00 0.00 H new ATOM 0 HG3 GLU A 44 15.190 3.563 -6.207 1.00 0.00 H new ATOM 666 N THR A 45 10.854 3.282 -5.674 1.00 0.00 N ATOM 667 CA THR A 45 9.789 3.001 -6.644 1.00 0.00 C ATOM 668 C THR A 45 8.901 4.234 -6.863 1.00 0.00 C ATOM 669 O THR A 45 8.372 4.450 -7.955 1.00 0.00 O ATOM 670 CB THR A 45 8.914 1.808 -6.195 1.00 0.00 C ATOM 671 OG1 THR A 45 9.751 0.672 -5.921 1.00 0.00 O ATOM 672 CG2 THR A 45 7.894 1.439 -7.270 1.00 0.00 C ATOM 0 H THR A 45 10.837 2.685 -4.847 1.00 0.00 H new ATOM 0 HA THR A 45 10.276 2.742 -7.584 1.00 0.00 H new ATOM 0 HB THR A 45 8.375 2.100 -5.294 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.161 0.773 -5.037 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.293 0.597 -6.927 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.245 2.293 -7.464 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.415 1.163 -8.187 1.00 0.00 H new ATOM 680 N ALA A 46 8.756 5.047 -5.821 1.00 0.00 N ATOM 681 CA ALA A 46 8.018 6.307 -5.917 1.00 0.00 C ATOM 682 C ALA A 46 8.689 7.266 -6.909 1.00 0.00 C ATOM 683 O ALA A 46 8.023 7.868 -7.753 1.00 0.00 O ATOM 684 CB ALA A 46 7.901 6.954 -4.543 1.00 0.00 C ATOM 0 H ALA A 46 9.141 4.857 -4.896 1.00 0.00 H new ATOM 0 HA ALA A 46 7.017 6.088 -6.289 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.350 7.891 -4.628 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.372 6.281 -3.868 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.897 7.154 -4.149 1.00 0.00 H new ATOM 690 N ALA A 47 10.013 7.386 -6.816 1.00 0.00 N ATOM 691 CA ALA A 47 10.776 8.259 -7.713 1.00 0.00 C ATOM 692 C ALA A 47 10.731 7.764 -9.169 1.00 0.00 C ATOM 693 O ALA A 47 10.737 8.559 -10.109 1.00 0.00 O ATOM 694 CB ALA A 47 12.221 8.366 -7.235 1.00 0.00 C ATOM 0 H ALA A 47 10.581 6.890 -6.129 1.00 0.00 H new ATOM 0 HA ALA A 47 10.313 9.246 -7.688 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.780 9.017 -7.908 1.00 0.00 H new ATOM 0 HB2 ALA A 47 12.241 8.782 -6.228 1.00 0.00 H new ATOM 0 HB3 ALA A 47 12.676 7.376 -7.227 1.00 0.00 H new ATOM 700 N LYS A 48 10.688 6.445 -9.342 1.00 0.00 N ATOM 701 CA LYS A 48 10.680 5.827 -10.665 1.00 0.00 C ATOM 702 C LYS A 48 9.290 5.851 -11.328 1.00 0.00 C ATOM 703 O LYS A 48 9.140 6.322 -12.457 1.00 0.00 O ATOM 704 CB LYS A 48 11.166 4.379 -10.547 1.00 0.00 C ATOM 705 CG LYS A 48 12.635 4.248 -10.161 1.00 0.00 C ATOM 706 CD LYS A 48 13.042 2.790 -9.980 1.00 0.00 C ATOM 707 CE LYS A 48 14.534 2.653 -9.711 1.00 0.00 C ATOM 708 NZ LYS A 48 14.933 1.238 -9.483 1.00 0.00 N ATOM 0 H LYS A 48 10.658 5.777 -8.572 1.00 0.00 H new ATOM 0 HA LYS A 48 11.347 6.410 -11.301 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.558 3.862 -9.804 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.005 3.874 -11.499 1.00 0.00 H new ATOM 0 HG2 LYS A 48 13.256 4.706 -10.931 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.818 4.795 -9.236 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.481 2.355 -9.152 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.780 2.225 -10.874 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.093 3.055 -10.556 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.801 3.250 -8.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.953 1.133 -9.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.719 0.971 -8.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.406 0.620 -10.132 1.00 0.00 H new ATOM 722 N TRP A 49 8.281 5.334 -10.628 1.00 0.00 N ATOM 723 CA TRP A 49 6.959 5.101 -11.230 1.00 0.00 C ATOM 724 C TRP A 49 5.885 6.099 -10.763 1.00 0.00 C ATOM 725 O TRP A 49 5.077 6.564 -11.564 1.00 0.00 O ATOM 726 CB TRP A 49 6.507 3.669 -10.925 1.00 0.00 C ATOM 727 CG TRP A 49 7.435 2.632 -11.488 1.00 0.00 C ATOM 728 CD1 TRP A 49 8.428 1.970 -10.825 1.00 0.00 C ATOM 729 CD2 TRP A 49 7.468 2.154 -12.838 1.00 0.00 C ATOM 730 NE1 TRP A 49 9.070 1.106 -11.678 1.00 0.00 N ATOM 731 CE2 TRP A 49 8.499 1.200 -12.919 1.00 0.00 C ATOM 732 CE3 TRP A 49 6.721 2.439 -13.985 1.00 0.00 C ATOM 733 CZ2 TRP A 49 8.802 0.531 -14.102 1.00 0.00 C ATOM 734 CZ3 TRP A 49 7.023 1.775 -15.158 1.00 0.00 C ATOM 735 CH2 TRP A 49 8.055 0.830 -15.209 1.00 0.00 C ATOM 0 H TRP A 49 8.348 5.068 -9.646 1.00 0.00 H new ATOM 0 HA TRP A 49 7.070 5.251 -12.304 1.00 0.00 H new ATOM 0 HB2 TRP A 49 6.436 3.538 -9.845 1.00 0.00 H new ATOM 0 HB3 TRP A 49 5.508 3.514 -11.332 1.00 0.00 H new ATOM 0 HD1 TRP A 49 8.673 2.106 -9.782 1.00 0.00 H new ATOM 0 HE1 TRP A 49 9.846 0.494 -11.428 1.00 0.00 H new ATOM 0 HE3 TRP A 49 5.922 3.165 -13.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 9.598 -0.198 -14.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 6.454 1.988 -16.051 1.00 0.00 H new ATOM 0 HH2 TRP A 49 8.266 0.327 -16.141 1.00 0.00 H new ATOM 746 N PHE A 50 5.879 6.436 -9.476 1.00 0.00 N ATOM 747 CA PHE A 50 4.804 7.264 -8.904 1.00 0.00 C ATOM 748 C PHE A 50 5.074 8.769 -9.079 1.00 0.00 C ATOM 749 O PHE A 50 4.300 9.612 -8.620 1.00 0.00 O ATOM 750 CB PHE A 50 4.603 6.919 -7.423 1.00 0.00 C ATOM 751 CG PHE A 50 4.092 5.515 -7.200 1.00 0.00 C ATOM 752 CD1 PHE A 50 2.737 5.232 -7.318 1.00 0.00 C ATOM 753 CD2 PHE A 50 4.959 4.480 -6.878 1.00 0.00 C ATOM 754 CE1 PHE A 50 2.262 3.950 -7.117 1.00 0.00 C ATOM 755 CE2 PHE A 50 4.487 3.197 -6.677 1.00 0.00 C ATOM 756 CZ PHE A 50 3.137 2.932 -6.796 1.00 0.00 C ATOM 0 H PHE A 50 6.597 6.155 -8.808 1.00 0.00 H new ATOM 0 HA PHE A 50 3.889 7.039 -9.452 1.00 0.00 H new ATOM 0 HB2 PHE A 50 5.550 7.041 -6.897 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.901 7.628 -6.984 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.047 6.023 -7.570 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.016 4.680 -6.783 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.206 3.745 -7.211 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.174 2.402 -6.427 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.766 1.930 -6.638 1.00 0.00 H new ATOM 766 N ARG A 51 6.176 9.096 -9.746 1.00 0.00 N ATOM 767 CA ARG A 51 6.511 10.487 -10.067 1.00 0.00 C ATOM 768 C ARG A 51 5.391 11.166 -10.878 1.00 0.00 C ATOM 769 O ARG A 51 4.770 10.544 -11.739 1.00 0.00 O ATOM 770 CB ARG A 51 7.833 10.533 -10.846 1.00 0.00 C ATOM 771 CG ARG A 51 7.859 9.612 -12.064 1.00 0.00 C ATOM 772 CD ARG A 51 9.156 9.740 -12.855 1.00 0.00 C ATOM 773 NE ARG A 51 9.230 8.757 -13.935 1.00 0.00 N ATOM 774 CZ ARG A 51 8.796 8.961 -15.151 1.00 0.00 C ATOM 775 NH1 ARG A 51 8.233 10.081 -15.476 1.00 0.00 N ATOM 776 NH2 ARG A 51 8.909 8.031 -16.041 1.00 0.00 N ATOM 0 H ARG A 51 6.859 8.415 -10.078 1.00 0.00 H new ATOM 0 HA ARG A 51 6.619 11.036 -9.131 1.00 0.00 H new ATOM 0 HB2 ARG A 51 8.017 11.557 -11.171 1.00 0.00 H new ATOM 0 HB3 ARG A 51 8.649 10.259 -10.177 1.00 0.00 H new ATOM 0 HG2 ARG A 51 7.734 8.579 -11.739 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.015 9.846 -12.713 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.231 10.745 -13.271 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.006 9.609 -12.185 1.00 0.00 H new ATOM 0 HE ARG A 51 9.649 7.851 -13.725 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.124 10.818 -14.779 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.899 10.226 -16.429 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.337 7.138 -15.794 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.571 8.190 -16.990 1.00 0.00 H new ATOM 790 N GLY A 52 5.124 12.439 -10.586 1.00 0.00 N ATOM 791 CA GLY A 52 4.080 13.175 -11.301 1.00 0.00 C ATOM 792 C GLY A 52 2.671 12.946 -10.750 1.00 0.00 C ATOM 793 O GLY A 52 1.755 13.729 -11.021 1.00 0.00 O ATOM 0 H GLY A 52 5.609 12.977 -9.868 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.307 14.240 -11.259 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.100 12.886 -12.352 1.00 0.00 H new ATOM 797 N GLN A 53 2.489 11.879 -9.974 1.00 0.00 N ATOM 798 CA GLN A 53 1.175 11.550 -9.409 1.00 0.00 C ATOM 799 C GLN A 53 0.950 12.265 -8.063 1.00 0.00 C ATOM 800 O GLN A 53 1.400 11.807 -7.013 1.00 0.00 O ATOM 801 CB GLN A 53 1.037 10.031 -9.234 1.00 0.00 C ATOM 802 CG GLN A 53 1.350 9.230 -10.497 1.00 0.00 C ATOM 803 CD GLN A 53 1.151 7.733 -10.310 1.00 0.00 C ATOM 804 OE1 GLN A 53 1.282 7.210 -9.212 1.00 0.00 O ATOM 805 NE2 GLN A 53 0.853 7.028 -11.384 1.00 0.00 N ATOM 0 H GLN A 53 3.231 11.227 -9.721 1.00 0.00 H new ATOM 0 HA GLN A 53 0.413 11.898 -10.106 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.703 9.705 -8.435 1.00 0.00 H new ATOM 0 HB3 GLN A 53 0.020 9.803 -8.914 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.712 9.578 -11.310 1.00 0.00 H new ATOM 0 HG3 GLN A 53 2.381 9.420 -10.796 1.00 0.00 H new ATOM 0 HE21 GLN A 53 0.750 7.492 -12.286 1.00 0.00 H new ATOM 0 HE22 GLN A 53 0.725 6.019 -11.312 1.00 0.00 H new ATOM 814 N ALA A 54 0.249 13.395 -8.104 1.00 0.00 N ATOM 815 CA ALA A 54 -0.004 14.202 -6.902 1.00 0.00 C ATOM 816 C ALA A 54 -1.404 13.941 -6.320 1.00 0.00 C ATOM 817 O ALA A 54 -2.196 14.866 -6.130 1.00 0.00 O ATOM 818 CB ALA A 54 0.175 15.681 -7.226 1.00 0.00 C ATOM 0 H ALA A 54 -0.157 13.778 -8.957 1.00 0.00 H new ATOM 0 HA ALA A 54 0.720 13.909 -6.141 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.014 16.275 -6.332 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.194 15.857 -7.570 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.527 15.970 -8.008 1.00 0.00 H new ATOM 824 N ASN A 55 -1.704 12.675 -6.057 1.00 0.00 N ATOM 825 CA ASN A 55 -2.983 12.278 -5.444 1.00 0.00 C ATOM 826 C ASN A 55 -2.860 10.895 -4.786 1.00 0.00 C ATOM 827 O ASN A 55 -3.805 10.103 -4.773 1.00 0.00 O ATOM 828 CB ASN A 55 -4.114 12.286 -6.488 1.00 0.00 C ATOM 829 CG ASN A 55 -3.800 11.452 -7.722 1.00 0.00 C ATOM 830 OD1 ASN A 55 -4.076 10.256 -7.773 1.00 0.00 O ATOM 831 ND2 ASN A 55 -3.244 12.081 -8.738 1.00 0.00 N ATOM 0 H ASN A 55 -1.079 11.894 -6.257 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.231 13.004 -4.670 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -5.027 11.910 -6.027 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.310 13.314 -6.793 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -3.031 11.574 -9.597 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.027 13.075 -8.665 1.00 0.00 H new ATOM 838 N LEU A 56 -1.692 10.636 -4.203 1.00 0.00 N ATOM 839 CA LEU A 56 -1.364 9.314 -3.665 1.00 0.00 C ATOM 840 C LEU A 56 -1.648 9.205 -2.157 1.00 0.00 C ATOM 841 O LEU A 56 -1.675 10.204 -1.431 1.00 0.00 O ATOM 842 CB LEU A 56 0.114 9.003 -3.933 1.00 0.00 C ATOM 843 CG LEU A 56 0.558 9.144 -5.400 1.00 0.00 C ATOM 844 CD1 LEU A 56 2.047 8.842 -5.548 1.00 0.00 C ATOM 845 CD2 LEU A 56 -0.273 8.241 -6.313 1.00 0.00 C ATOM 0 H LEU A 56 -0.951 11.328 -4.090 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.003 8.589 -4.170 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.725 9.665 -3.320 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.320 7.984 -3.604 1.00 0.00 H new ATOM 0 HG LEU A 56 0.389 10.177 -5.704 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.338 8.948 -6.593 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.622 9.539 -4.939 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.246 7.822 -5.218 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.061 8.360 -7.344 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.148 7.202 -6.008 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.325 8.517 -6.238 1.00 0.00 H new ATOM 857 N VAL A 57 -1.870 7.974 -1.703 1.00 0.00 N ATOM 858 CA VAL A 57 -2.047 7.674 -0.280 1.00 0.00 C ATOM 859 C VAL A 57 -1.029 6.619 0.173 1.00 0.00 C ATOM 860 O VAL A 57 -0.867 5.578 -0.470 1.00 0.00 O ATOM 861 CB VAL A 57 -3.477 7.159 0.028 1.00 0.00 C ATOM 862 CG1 VAL A 57 -3.652 6.887 1.524 1.00 0.00 C ATOM 863 CG2 VAL A 57 -4.525 8.150 -0.471 1.00 0.00 C ATOM 0 H VAL A 57 -1.933 7.156 -2.308 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.890 8.605 0.265 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.619 6.217 -0.502 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.663 6.527 1.712 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.933 6.133 1.843 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.484 7.807 2.083 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.521 7.770 -0.245 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.382 9.111 0.024 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.421 8.278 -1.548 1.00 0.00 H new ATOM 873 N LEU A 58 -0.341 6.903 1.270 1.00 0.00 N ATOM 874 CA LEU A 58 0.664 5.996 1.822 1.00 0.00 C ATOM 875 C LEU A 58 0.071 5.166 2.975 1.00 0.00 C ATOM 876 O LEU A 58 -0.135 5.680 4.078 1.00 0.00 O ATOM 877 CB LEU A 58 1.871 6.810 2.316 1.00 0.00 C ATOM 878 CG LEU A 58 3.139 6.001 2.629 1.00 0.00 C ATOM 879 CD1 LEU A 58 3.715 5.382 1.358 1.00 0.00 C ATOM 880 CD2 LEU A 58 4.180 6.876 3.326 1.00 0.00 C ATOM 0 H LEU A 58 -0.461 7.764 1.803 1.00 0.00 H new ATOM 0 HA LEU A 58 0.988 5.308 1.041 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.116 7.556 1.560 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.577 7.351 3.215 1.00 0.00 H new ATOM 0 HG LEU A 58 2.867 5.191 3.306 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.612 4.814 1.604 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.976 4.717 0.910 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.968 6.172 0.651 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.070 6.283 3.539 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.446 7.711 2.678 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.767 7.259 4.260 1.00 0.00 H new ATOM 892 N LEU A 59 -0.231 3.894 2.707 1.00 0.00 N ATOM 893 CA LEU A 59 -0.801 2.999 3.726 1.00 0.00 C ATOM 894 C LEU A 59 0.297 2.320 4.557 1.00 0.00 C ATOM 895 O LEU A 59 1.065 1.513 4.035 1.00 0.00 O ATOM 896 CB LEU A 59 -1.679 1.928 3.063 1.00 0.00 C ATOM 897 CG LEU A 59 -2.859 2.466 2.242 1.00 0.00 C ATOM 898 CD1 LEU A 59 -3.688 1.318 1.672 1.00 0.00 C ATOM 899 CD2 LEU A 59 -3.728 3.394 3.089 1.00 0.00 C ATOM 0 H LEU A 59 -0.092 3.457 1.796 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.409 3.608 4.394 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.052 1.319 2.412 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.068 1.268 3.839 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.459 3.043 1.408 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.519 1.722 1.094 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.062 0.702 1.026 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.076 0.709 2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.558 3.764 2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.117 2.846 3.947 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.129 4.235 3.438 1.00 0.00 H new ATOM 911 N ALA A 60 0.362 2.648 5.846 1.00 0.00 N ATOM 912 CA ALA A 60 1.369 2.077 6.752 1.00 0.00 C ATOM 913 C ALA A 60 0.817 0.878 7.544 1.00 0.00 C ATOM 914 O ALA A 60 -0.206 0.986 8.229 1.00 0.00 O ATOM 915 CB ALA A 60 1.873 3.152 7.711 1.00 0.00 C ATOM 0 H ALA A 60 -0.273 3.310 6.293 1.00 0.00 H new ATOM 0 HA ALA A 60 2.196 1.713 6.142 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.619 2.722 8.380 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.322 3.966 7.142 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.039 3.537 8.298 1.00 0.00 H new ATOM 921 N VAL A 61 1.502 -0.264 7.441 1.00 0.00 N ATOM 922 CA VAL A 61 1.138 -1.481 8.183 1.00 0.00 C ATOM 923 C VAL A 61 2.331 -1.995 9.016 1.00 0.00 C ATOM 924 O VAL A 61 3.449 -2.111 8.509 1.00 0.00 O ATOM 925 CB VAL A 61 0.662 -2.605 7.224 1.00 0.00 C ATOM 926 CG1 VAL A 61 0.265 -3.860 8.003 1.00 0.00 C ATOM 927 CG2 VAL A 61 -0.495 -2.118 6.351 1.00 0.00 C ATOM 0 H VAL A 61 2.322 -0.374 6.844 1.00 0.00 H new ATOM 0 HA VAL A 61 0.319 -1.217 8.852 1.00 0.00 H new ATOM 0 HB VAL A 61 1.495 -2.866 6.571 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.064 -4.631 7.307 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.123 -4.224 8.568 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.547 -3.620 8.690 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.813 -2.922 5.687 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.330 -1.821 6.986 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.168 -1.264 5.757 1.00 0.00 H new ATOM 937 N GLU A 62 2.086 -2.304 10.291 1.00 0.00 N ATOM 938 CA GLU A 62 3.148 -2.752 11.211 1.00 0.00 C ATOM 939 C GLU A 62 3.508 -4.242 11.017 1.00 0.00 C ATOM 940 O GLU A 62 3.294 -5.052 11.914 1.00 0.00 O ATOM 941 CB GLU A 62 2.712 -2.500 12.664 1.00 0.00 C ATOM 942 CG GLU A 62 2.456 -1.032 12.981 1.00 0.00 C ATOM 943 CD GLU A 62 1.859 -0.822 14.361 1.00 0.00 C ATOM 944 OE1 GLU A 62 2.629 -0.717 15.341 1.00 0.00 O ATOM 945 OE2 GLU A 62 0.617 -0.769 14.473 1.00 0.00 O ATOM 0 H GLU A 62 1.160 -2.254 10.716 1.00 0.00 H new ATOM 0 HA GLU A 62 4.044 -2.174 10.984 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.805 -3.070 12.866 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.482 -2.879 13.336 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.394 -0.481 12.908 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.783 -0.616 12.232 1.00 0.00 H new ATOM 952 N ALA A 63 4.075 -4.569 9.846 1.00 0.00 N ATOM 953 CA ALA A 63 4.496 -5.946 9.478 1.00 0.00 C ATOM 954 C ALA A 63 3.602 -7.083 10.036 1.00 0.00 C ATOM 955 O ALA A 63 2.779 -7.641 9.311 1.00 0.00 O ATOM 956 CB ALA A 63 5.949 -6.178 9.885 1.00 0.00 C ATOM 0 H ALA A 63 4.260 -3.883 9.114 1.00 0.00 H new ATOM 0 HA ALA A 63 4.382 -5.997 8.395 1.00 0.00 H new ATOM 0 HB1 ALA A 63 6.247 -7.190 9.611 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.589 -5.460 9.373 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.050 -6.050 10.963 1.00 0.00 H new ATOM 962 N GLU A 64 3.788 -7.410 11.326 1.00 0.00 N ATOM 963 CA GLU A 64 3.179 -8.590 11.967 1.00 0.00 C ATOM 964 C GLU A 64 3.852 -9.902 11.509 1.00 0.00 C ATOM 965 O GLU A 64 4.060 -10.129 10.317 1.00 0.00 O ATOM 966 CB GLU A 64 1.655 -8.650 11.747 1.00 0.00 C ATOM 967 CG GLU A 64 0.869 -7.681 12.627 1.00 0.00 C ATOM 968 CD GLU A 64 1.038 -7.975 14.113 1.00 0.00 C ATOM 969 OE1 GLU A 64 0.482 -8.988 14.593 1.00 0.00 O ATOM 970 OE2 GLU A 64 1.736 -7.207 14.810 1.00 0.00 O ATOM 0 H GLU A 64 4.369 -6.860 11.958 1.00 0.00 H new ATOM 0 HA GLU A 64 3.351 -8.482 13.038 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.439 -8.433 10.701 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.309 -9.665 11.940 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.196 -6.662 12.422 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.188 -7.735 12.367 1.00 0.00 H new ATOM 977 N PRO A 65 4.195 -10.792 12.468 1.00 0.00 N ATOM 978 CA PRO A 65 4.944 -12.043 12.196 1.00 0.00 C ATOM 979 C PRO A 65 4.148 -13.125 11.431 1.00 0.00 C ATOM 980 O PRO A 65 4.457 -14.314 11.533 1.00 0.00 O ATOM 981 CB PRO A 65 5.309 -12.558 13.608 1.00 0.00 C ATOM 982 CG PRO A 65 5.000 -11.433 14.545 1.00 0.00 C ATOM 983 CD PRO A 65 3.898 -10.646 13.899 1.00 0.00 C ATOM 0 HA PRO A 65 5.793 -11.838 11.544 1.00 0.00 H new ATOM 0 HB2 PRO A 65 4.732 -13.447 13.861 1.00 0.00 H new ATOM 0 HB3 PRO A 65 6.362 -12.835 13.663 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.690 -11.811 15.519 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.879 -10.810 14.710 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.915 -11.043 14.151 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.909 -9.602 14.211 1.00 0.00 H new ATOM 991 N LEU A 66 3.153 -12.724 10.644 1.00 0.00 N ATOM 992 CA LEU A 66 2.345 -13.680 9.870 1.00 0.00 C ATOM 993 C LEU A 66 2.934 -13.920 8.464 1.00 0.00 C ATOM 994 O LEU A 66 2.270 -13.712 7.445 1.00 0.00 O ATOM 995 CB LEU A 66 0.871 -13.218 9.802 1.00 0.00 C ATOM 996 CG LEU A 66 0.629 -11.693 9.741 1.00 0.00 C ATOM 997 CD1 LEU A 66 1.168 -11.085 8.448 1.00 0.00 C ATOM 998 CD2 LEU A 66 -0.856 -11.379 9.908 1.00 0.00 C ATOM 0 H LEU A 66 2.883 -11.748 10.521 1.00 0.00 H new ATOM 0 HA LEU A 66 2.372 -14.638 10.389 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.411 -13.672 8.924 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.349 -13.612 10.674 1.00 0.00 H new ATOM 0 HG LEU A 66 1.177 -11.240 10.567 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.978 -10.012 8.444 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.241 -11.264 8.381 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.670 -11.545 7.594 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.007 -10.301 9.862 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.421 -11.859 9.109 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.201 -11.753 10.872 1.00 0.00 H new ATOM 1010 N GLY A 67 4.180 -14.402 8.431 1.00 0.00 N ATOM 1011 CA GLY A 67 4.879 -14.666 7.166 1.00 0.00 C ATOM 1012 C GLY A 67 4.163 -15.666 6.254 1.00 0.00 C ATOM 1013 O GLY A 67 4.538 -15.845 5.092 1.00 0.00 O ATOM 0 H GLY A 67 4.727 -14.618 9.265 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.004 -13.726 6.629 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.878 -15.042 7.387 1.00 0.00 H new ATOM 1017 N GLU A 68 3.155 -16.340 6.793 1.00 0.00 N ATOM 1018 CA GLU A 68 2.298 -17.231 6.018 1.00 0.00 C ATOM 1019 C GLU A 68 1.522 -16.472 4.925 1.00 0.00 C ATOM 1020 O GLU A 68 1.409 -16.942 3.790 1.00 0.00 O ATOM 1021 CB GLU A 68 1.335 -17.945 6.973 1.00 0.00 C ATOM 1022 CG GLU A 68 0.576 -17.003 7.906 1.00 0.00 C ATOM 1023 CD GLU A 68 -0.079 -17.732 9.066 1.00 0.00 C ATOM 1024 OE1 GLU A 68 0.625 -18.026 10.059 1.00 0.00 O ATOM 1025 OE2 GLU A 68 -1.288 -18.021 8.993 1.00 0.00 O ATOM 0 H GLU A 68 2.908 -16.285 7.781 1.00 0.00 H new ATOM 0 HA GLU A 68 2.924 -17.963 5.507 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.616 -18.517 6.387 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.898 -18.660 7.574 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.263 -16.252 8.295 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.188 -16.472 7.338 1.00 0.00 H new ATOM 1032 N ASP A 69 1.000 -15.295 5.271 1.00 0.00 N ATOM 1033 CA ASP A 69 0.241 -14.469 4.323 1.00 0.00 C ATOM 1034 C ASP A 69 1.053 -13.257 3.845 1.00 0.00 C ATOM 1035 O ASP A 69 0.870 -12.784 2.725 1.00 0.00 O ATOM 1036 CB ASP A 69 -1.068 -14.004 4.962 1.00 0.00 C ATOM 1037 CG ASP A 69 -1.991 -15.166 5.275 1.00 0.00 C ATOM 1038 OD1 ASP A 69 -2.629 -15.691 4.340 1.00 0.00 O ATOM 1039 OD2 ASP A 69 -2.105 -15.548 6.452 1.00 0.00 O ATOM 0 H ASP A 69 1.088 -14.889 6.202 1.00 0.00 H new ATOM 0 HA ASP A 69 0.021 -15.085 3.451 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.850 -13.457 5.879 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.573 -13.310 4.290 1.00 0.00 H new ATOM 1044 N LEU A 70 1.933 -12.747 4.702 1.00 0.00 N ATOM 1045 CA LEU A 70 2.812 -11.632 4.334 1.00 0.00 C ATOM 1046 C LEU A 70 4.243 -12.127 4.084 1.00 0.00 C ATOM 1047 O LEU A 70 4.996 -12.386 5.022 1.00 0.00 O ATOM 1048 CB LEU A 70 2.814 -10.566 5.435 1.00 0.00 C ATOM 1049 CG LEU A 70 3.674 -9.324 5.145 1.00 0.00 C ATOM 1050 CD1 LEU A 70 3.130 -8.558 3.943 1.00 0.00 C ATOM 1051 CD2 LEU A 70 3.752 -8.424 6.373 1.00 0.00 C ATOM 0 H LEU A 70 2.059 -13.085 5.656 1.00 0.00 H new ATOM 0 HA LEU A 70 2.430 -11.190 3.414 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.787 -10.244 5.608 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.165 -11.023 6.360 1.00 0.00 H new ATOM 0 HG LEU A 70 4.684 -9.657 4.904 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.754 -7.684 3.756 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.139 -9.204 3.065 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.108 -8.238 4.148 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.365 -7.552 6.146 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.749 -8.101 6.651 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.198 -8.976 7.201 1.00 0.00 H new ATOM 1063 N LYS A 71 4.612 -12.261 2.816 1.00 0.00 N ATOM 1064 CA LYS A 71 5.928 -12.796 2.451 1.00 0.00 C ATOM 1065 C LYS A 71 6.804 -11.745 1.765 1.00 0.00 C ATOM 1066 O LYS A 71 6.416 -11.163 0.749 1.00 0.00 O ATOM 1067 CB LYS A 71 5.766 -14.005 1.521 1.00 0.00 C ATOM 1068 CG LYS A 71 4.992 -15.158 2.147 1.00 0.00 C ATOM 1069 CD LYS A 71 4.896 -16.355 1.209 1.00 0.00 C ATOM 1070 CE LYS A 71 4.156 -17.514 1.860 1.00 0.00 C ATOM 1071 NZ LYS A 71 4.809 -17.947 3.123 1.00 0.00 N ATOM 0 H LYS A 71 4.024 -12.009 2.022 1.00 0.00 H new ATOM 0 HA LYS A 71 6.422 -13.098 3.375 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.256 -13.687 0.612 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.753 -14.360 1.225 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.479 -15.461 3.074 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.989 -14.821 2.410 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.382 -16.061 0.294 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.898 -16.676 0.923 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.127 -17.219 2.066 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.114 -18.354 1.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.417 -18.863 3.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.833 -18.042 2.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.634 -17.239 3.865 1.00 0.00 H new ATOM 1085 N TRP A 72 7.989 -11.507 2.316 1.00 0.00 N ATOM 1086 CA TRP A 72 8.984 -10.661 1.657 1.00 0.00 C ATOM 1087 C TRP A 72 9.525 -11.390 0.424 1.00 0.00 C ATOM 1088 O TRP A 72 10.588 -12.015 0.458 1.00 0.00 O ATOM 1089 CB TRP A 72 10.122 -10.304 2.627 1.00 0.00 C ATOM 1090 CG TRP A 72 9.669 -9.493 3.807 1.00 0.00 C ATOM 1091 CD1 TRP A 72 8.938 -9.931 4.874 1.00 0.00 C ATOM 1092 CD2 TRP A 72 9.926 -8.103 4.042 1.00 0.00 C ATOM 1093 NE1 TRP A 72 8.713 -8.899 5.750 1.00 0.00 N ATOM 1094 CE2 TRP A 72 9.312 -7.766 5.264 1.00 0.00 C ATOM 1095 CE3 TRP A 72 10.612 -7.112 3.335 1.00 0.00 C ATOM 1096 CZ2 TRP A 72 9.364 -6.478 5.798 1.00 0.00 C ATOM 1097 CZ3 TRP A 72 10.666 -5.834 3.865 1.00 0.00 C ATOM 1098 CH2 TRP A 72 10.044 -5.527 5.085 1.00 0.00 C ATOM 0 H TRP A 72 8.286 -11.886 3.215 1.00 0.00 H new ATOM 0 HA TRP A 72 8.515 -9.728 1.344 1.00 0.00 H new ATOM 0 HB2 TRP A 72 10.586 -11.223 2.984 1.00 0.00 H new ATOM 0 HB3 TRP A 72 10.889 -9.749 2.087 1.00 0.00 H new ATOM 0 HD1 TRP A 72 8.587 -10.944 5.009 1.00 0.00 H new ATOM 0 HE1 TRP A 72 8.186 -8.964 6.621 1.00 0.00 H new ATOM 0 HE3 TRP A 72 11.091 -7.338 2.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 8.887 -6.240 6.737 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 11.196 -5.060 3.330 1.00 0.00 H new ATOM 0 HH2 TRP A 72 10.103 -4.520 5.470 1.00 0.00 H new ATOM 1109 N GLU A 73 8.758 -11.340 -0.658 1.00 0.00 N ATOM 1110 CA GLU A 73 9.035 -12.163 -1.833 1.00 0.00 C ATOM 1111 C GLU A 73 9.741 -11.374 -2.940 1.00 0.00 C ATOM 1112 O GLU A 73 9.374 -10.235 -3.246 1.00 0.00 O ATOM 1113 CB GLU A 73 7.729 -12.766 -2.366 1.00 0.00 C ATOM 1114 CG GLU A 73 7.944 -13.890 -3.373 1.00 0.00 C ATOM 1115 CD GLU A 73 8.760 -15.038 -2.790 1.00 0.00 C ATOM 1116 OE1 GLU A 73 10.007 -14.942 -2.788 1.00 0.00 O ATOM 1117 OE2 GLU A 73 8.161 -16.026 -2.314 1.00 0.00 O ATOM 0 H GLU A 73 7.939 -10.739 -0.748 1.00 0.00 H new ATOM 0 HA GLU A 73 9.710 -12.961 -1.523 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.145 -13.147 -1.528 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.139 -11.978 -2.834 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.977 -14.267 -3.706 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.453 -13.495 -4.252 1.00 0.00 H new ATOM 1124 N ALA A 74 10.742 -12.001 -3.552 1.00 0.00 N ATOM 1125 CA ALA A 74 11.526 -11.362 -4.608 1.00 0.00 C ATOM 1126 C ALA A 74 10.741 -11.289 -5.923 1.00 0.00 C ATOM 1127 O ALA A 74 10.714 -12.248 -6.697 1.00 0.00 O ATOM 1128 CB ALA A 74 12.845 -12.102 -4.814 1.00 0.00 C ATOM 0 H ALA A 74 11.031 -12.955 -3.334 1.00 0.00 H new ATOM 0 HA ALA A 74 11.741 -10.341 -4.292 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.417 -11.614 -5.603 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.419 -12.087 -3.888 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.642 -13.135 -5.098 1.00 0.00 H new ATOM 1134 N SER A 75 10.084 -10.154 -6.160 1.00 0.00 N ATOM 1135 CA SER A 75 9.335 -9.946 -7.409 1.00 0.00 C ATOM 1136 C SER A 75 10.284 -9.730 -8.591 1.00 0.00 C ATOM 1137 O SER A 75 11.367 -9.156 -8.432 1.00 0.00 O ATOM 1138 CB SER A 75 8.383 -8.746 -7.296 1.00 0.00 C ATOM 1139 OG SER A 75 7.742 -8.493 -8.538 1.00 0.00 O ATOM 0 H SER A 75 10.052 -9.367 -5.512 1.00 0.00 H new ATOM 0 HA SER A 75 8.747 -10.847 -7.583 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.634 -8.941 -6.528 1.00 0.00 H new ATOM 0 HB3 SER A 75 8.939 -7.863 -6.982 1.00 0.00 H new ATOM 0 HG SER A 75 6.962 -7.919 -8.392 1.00 0.00 H new ATOM 1145 N ARG A 76 9.878 -10.202 -9.774 1.00 0.00 N ATOM 1146 CA ARG A 76 10.678 -10.056 -11.001 1.00 0.00 C ATOM 1147 C ARG A 76 12.083 -10.673 -10.848 1.00 0.00 C ATOM 1148 O ARG A 76 12.999 -10.356 -11.610 1.00 0.00 O ATOM 1149 CB ARG A 76 10.786 -8.568 -11.375 1.00 0.00 C ATOM 1150 CG ARG A 76 9.435 -7.873 -11.521 1.00 0.00 C ATOM 1151 CD ARG A 76 9.590 -6.374 -11.769 1.00 0.00 C ATOM 1152 NE ARG A 76 8.301 -5.681 -11.782 1.00 0.00 N ATOM 1153 CZ ARG A 76 8.155 -4.399 -11.571 1.00 0.00 C ATOM 1154 NH1 ARG A 76 9.188 -3.640 -11.380 1.00 0.00 N ATOM 1155 NH2 ARG A 76 6.976 -3.869 -11.575 1.00 0.00 N ATOM 0 H ARG A 76 8.994 -10.692 -9.911 1.00 0.00 H new ATOM 0 HA ARG A 76 10.171 -10.598 -11.799 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.370 -8.052 -10.612 1.00 0.00 H new ATOM 0 HB3 ARG A 76 11.335 -8.477 -12.312 1.00 0.00 H new ATOM 0 HG2 ARG A 76 8.883 -8.322 -12.346 1.00 0.00 H new ATOM 0 HG3 ARG A 76 8.845 -8.033 -10.618 1.00 0.00 H new ATOM 0 HD2 ARG A 76 10.225 -5.943 -10.995 1.00 0.00 H new ATOM 0 HD3 ARG A 76 10.096 -6.215 -12.721 1.00 0.00 H new ATOM 0 HE ARG A 76 7.464 -6.233 -11.967 1.00 0.00 H new ATOM 0 HH11 ARG A 76 10.125 -4.042 -11.393 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.064 -2.641 -11.216 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.156 -4.451 -11.743 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.866 -2.868 -11.410 1.00 0.00 H new ATOM 1169 N GLY A 77 12.235 -11.572 -9.875 1.00 0.00 N ATOM 1170 CA GLY A 77 13.534 -12.173 -9.587 1.00 0.00 C ATOM 1171 C GLY A 77 14.581 -11.160 -9.124 1.00 0.00 C ATOM 1172 O GLY A 77 15.735 -11.215 -9.550 1.00 0.00 O ATOM 0 H GLY A 77 11.477 -11.898 -9.276 1.00 0.00 H new ATOM 0 HA2 GLY A 77 13.411 -12.935 -8.817 1.00 0.00 H new ATOM 0 HA3 GLY A 77 13.899 -12.679 -10.481 1.00 0.00 H new ATOM 1176 N GLY A 78 14.180 -10.228 -8.253 1.00 0.00 N ATOM 1177 CA GLY A 78 15.113 -9.211 -7.762 1.00 0.00 C ATOM 1178 C GLY A 78 14.911 -8.838 -6.291 1.00 0.00 C ATOM 1179 O GLY A 78 15.367 -9.547 -5.391 1.00 0.00 O ATOM 0 H GLY A 78 13.233 -10.157 -7.880 1.00 0.00 H new ATOM 0 HA2 GLY A 78 16.132 -9.572 -7.898 1.00 0.00 H new ATOM 0 HA3 GLY A 78 15.009 -8.313 -8.371 1.00 0.00 H new ATOM 1183 N ALA A 79 14.231 -7.718 -6.049 1.00 0.00 N ATOM 1184 CA ALA A 79 14.042 -7.191 -4.687 1.00 0.00 C ATOM 1185 C ALA A 79 12.913 -7.915 -3.934 1.00 0.00 C ATOM 1186 O ALA A 79 11.902 -8.300 -4.527 1.00 0.00 O ATOM 1187 CB ALA A 79 13.758 -5.693 -4.748 1.00 0.00 C ATOM 0 H ALA A 79 13.798 -7.152 -6.778 1.00 0.00 H new ATOM 0 HA ALA A 79 14.964 -7.369 -4.134 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.619 -5.308 -3.738 1.00 0.00 H new ATOM 0 HB2 ALA A 79 14.598 -5.182 -5.219 1.00 0.00 H new ATOM 0 HB3 ALA A 79 12.854 -5.518 -5.331 1.00 0.00 H new ATOM 1193 N ARG A 80 13.084 -8.084 -2.618 1.00 0.00 N ATOM 1194 CA ARG A 80 12.085 -8.774 -1.791 1.00 0.00 C ATOM 1195 C ARG A 80 10.994 -7.812 -1.303 1.00 0.00 C ATOM 1196 O ARG A 80 11.165 -7.114 -0.300 1.00 0.00 O ATOM 1197 CB ARG A 80 12.735 -9.469 -0.580 1.00 0.00 C ATOM 1198 CG ARG A 80 13.695 -10.600 -0.943 1.00 0.00 C ATOM 1199 CD ARG A 80 15.100 -10.093 -1.264 1.00 0.00 C ATOM 1200 NE ARG A 80 15.791 -9.613 -0.067 1.00 0.00 N ATOM 1201 CZ ARG A 80 16.913 -8.945 -0.077 1.00 0.00 C ATOM 1202 NH1 ARG A 80 17.497 -8.657 -1.194 1.00 0.00 N ATOM 1203 NH2 ARG A 80 17.456 -8.574 1.036 1.00 0.00 N ATOM 0 H ARG A 80 13.901 -7.754 -2.104 1.00 0.00 H new ATOM 0 HA ARG A 80 11.626 -9.532 -2.426 1.00 0.00 H new ATOM 0 HB2 ARG A 80 13.275 -8.724 0.005 1.00 0.00 H new ATOM 0 HB3 ARG A 80 11.948 -9.868 0.060 1.00 0.00 H new ATOM 0 HG2 ARG A 80 13.748 -11.308 -0.115 1.00 0.00 H new ATOM 0 HG3 ARG A 80 13.303 -11.143 -1.803 1.00 0.00 H new ATOM 0 HD2 ARG A 80 15.680 -10.894 -1.722 1.00 0.00 H new ATOM 0 HD3 ARG A 80 15.037 -9.287 -1.995 1.00 0.00 H new ATOM 0 HE ARG A 80 15.367 -9.814 0.838 1.00 0.00 H new ATOM 0 HH11 ARG A 80 17.082 -8.952 -2.078 1.00 0.00 H new ATOM 0 HH12 ARG A 80 18.373 -8.135 -1.192 1.00 0.00 H new ATOM 0 HH21 ARG A 80 17.008 -8.803 1.923 1.00 0.00 H new ATOM 0 HH22 ARG A 80 18.332 -8.052 1.027 1.00 0.00 H new ATOM 1217 N PHE A 81 9.879 -7.772 -2.026 1.00 0.00 N ATOM 1218 CA PHE A 81 8.726 -6.958 -1.632 1.00 0.00 C ATOM 1219 C PHE A 81 7.725 -7.792 -0.811 1.00 0.00 C ATOM 1220 O PHE A 81 7.336 -8.891 -1.224 1.00 0.00 O ATOM 1221 CB PHE A 81 8.023 -6.386 -2.872 1.00 0.00 C ATOM 1222 CG PHE A 81 8.894 -5.489 -3.718 1.00 0.00 C ATOM 1223 CD1 PHE A 81 9.141 -4.176 -3.336 1.00 0.00 C ATOM 1224 CD2 PHE A 81 9.457 -5.955 -4.897 1.00 0.00 C ATOM 1225 CE1 PHE A 81 9.931 -3.351 -4.113 1.00 0.00 C ATOM 1226 CE2 PHE A 81 10.247 -5.133 -5.676 1.00 0.00 C ATOM 1227 CZ PHE A 81 10.485 -3.829 -5.284 1.00 0.00 C ATOM 0 H PHE A 81 9.746 -8.295 -2.892 1.00 0.00 H new ATOM 0 HA PHE A 81 9.090 -6.136 -1.016 1.00 0.00 H new ATOM 0 HB2 PHE A 81 7.666 -7.212 -3.487 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.145 -5.825 -2.552 1.00 0.00 H new ATOM 0 HD1 PHE A 81 8.710 -3.796 -2.421 1.00 0.00 H new ATOM 0 HD2 PHE A 81 9.275 -6.973 -5.209 1.00 0.00 H new ATOM 0 HE1 PHE A 81 10.115 -2.332 -3.805 1.00 0.00 H new ATOM 0 HE2 PHE A 81 10.679 -5.509 -6.592 1.00 0.00 H new ATOM 0 HZ PHE A 81 11.103 -3.185 -5.892 1.00 0.00 H new ATOM 1237 N PRO A 82 7.301 -7.295 0.368 1.00 0.00 N ATOM 1238 CA PRO A 82 6.305 -7.985 1.206 1.00 0.00 C ATOM 1239 C PRO A 82 4.921 -8.081 0.530 1.00 0.00 C ATOM 1240 O PRO A 82 4.155 -7.121 0.504 1.00 0.00 O ATOM 1241 CB PRO A 82 6.248 -7.128 2.484 1.00 0.00 C ATOM 1242 CG PRO A 82 6.761 -5.786 2.076 1.00 0.00 C ATOM 1243 CD PRO A 82 7.770 -6.039 0.987 1.00 0.00 C ATOM 0 HA PRO A 82 6.583 -9.022 1.396 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.230 -7.061 2.868 1.00 0.00 H new ATOM 0 HB3 PRO A 82 6.860 -7.560 3.276 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.951 -5.152 1.717 1.00 0.00 H new ATOM 0 HG3 PRO A 82 7.219 -5.271 2.920 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.796 -5.222 0.266 1.00 0.00 H new ATOM 0 HD3 PRO A 82 8.778 -6.142 1.389 1.00 0.00 H new ATOM 1251 N HIS A 83 4.621 -9.246 -0.038 1.00 0.00 N ATOM 1252 CA HIS A 83 3.334 -9.482 -0.702 1.00 0.00 C ATOM 1253 C HIS A 83 2.313 -10.110 0.258 1.00 0.00 C ATOM 1254 O HIS A 83 2.590 -11.129 0.891 1.00 0.00 O ATOM 1255 CB HIS A 83 3.523 -10.393 -1.924 1.00 0.00 C ATOM 1256 CG HIS A 83 4.273 -9.753 -3.053 1.00 0.00 C ATOM 1257 ND1 HIS A 83 5.649 -9.682 -3.104 1.00 0.00 N ATOM 1258 CD2 HIS A 83 3.830 -9.161 -4.188 1.00 0.00 C ATOM 1259 CE1 HIS A 83 6.017 -9.077 -4.215 1.00 0.00 C ATOM 1260 NE2 HIS A 83 4.937 -8.752 -4.888 1.00 0.00 N ATOM 0 H HIS A 83 5.252 -10.047 -0.054 1.00 0.00 H new ATOM 0 HA HIS A 83 2.949 -8.515 -1.026 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.053 -11.294 -1.614 1.00 0.00 H new ATOM 0 HB3 HIS A 83 2.544 -10.708 -2.284 1.00 0.00 H new ATOM 0 HD1 HIS A 83 6.284 -10.042 -2.392 1.00 0.00 H new ATOM 0 HD2 HIS A 83 2.800 -9.035 -4.486 1.00 0.00 H new ATOM 0 HE1 HIS A 83 7.034 -8.881 -4.521 1.00 0.00 H new ATOM 1269 N LEU A 84 1.142 -9.488 0.359 1.00 0.00 N ATOM 1270 CA LEU A 84 0.033 -10.030 1.147 1.00 0.00 C ATOM 1271 C LEU A 84 -0.886 -10.889 0.260 1.00 0.00 C ATOM 1272 O LEU A 84 -1.520 -10.387 -0.672 1.00 0.00 O ATOM 1273 CB LEU A 84 -0.763 -8.884 1.793 1.00 0.00 C ATOM 1274 CG LEU A 84 -1.895 -9.314 2.742 1.00 0.00 C ATOM 1275 CD1 LEU A 84 -1.342 -10.101 3.930 1.00 0.00 C ATOM 1276 CD2 LEU A 84 -2.688 -8.097 3.221 1.00 0.00 C ATOM 0 H LEU A 84 0.933 -8.601 -0.098 1.00 0.00 H new ATOM 0 HA LEU A 84 0.439 -10.663 1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.070 -8.251 2.347 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.191 -8.271 1.000 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.570 -9.967 2.190 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.162 -10.394 4.586 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.830 -10.993 3.569 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.639 -9.478 4.483 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.484 -8.422 3.891 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.023 -7.415 3.751 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.123 -7.585 2.362 1.00 0.00 H new ATOM 1288 N TYR A 85 -0.960 -12.183 0.561 1.00 0.00 N ATOM 1289 CA TYR A 85 -1.713 -13.139 -0.265 1.00 0.00 C ATOM 1290 C TYR A 85 -3.216 -13.180 0.078 1.00 0.00 C ATOM 1291 O TYR A 85 -3.905 -14.152 -0.238 1.00 0.00 O ATOM 1292 CB TYR A 85 -1.088 -14.537 -0.133 1.00 0.00 C ATOM 1293 CG TYR A 85 0.294 -14.632 -0.759 1.00 0.00 C ATOM 1294 CD1 TYR A 85 1.414 -14.117 -0.114 1.00 0.00 C ATOM 1295 CD2 TYR A 85 0.475 -15.221 -2.007 1.00 0.00 C ATOM 1296 CE1 TYR A 85 2.669 -14.189 -0.690 1.00 0.00 C ATOM 1297 CE2 TYR A 85 1.727 -15.296 -2.589 1.00 0.00 C ATOM 1298 CZ TYR A 85 2.820 -14.777 -1.928 1.00 0.00 C ATOM 1299 OH TYR A 85 4.071 -14.849 -2.506 1.00 0.00 O ATOM 0 H TYR A 85 -0.507 -12.601 1.374 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.646 -12.799 -1.298 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.021 -14.801 0.922 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -1.745 -15.268 -0.604 1.00 0.00 H new ATOM 0 HD1 TYR A 85 1.301 -13.652 0.854 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -0.378 -15.627 -2.530 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.527 -13.786 -0.172 1.00 0.00 H new ATOM 0 HE2 TYR A 85 1.848 -15.759 -3.557 1.00 0.00 H new ATOM 0 HH TYR A 85 4.004 -15.294 -3.377 1.00 0.00 H new ATOM 1309 N ARG A 86 -3.730 -12.110 0.683 1.00 0.00 N ATOM 1310 CA ARG A 86 -5.165 -12.004 0.985 1.00 0.00 C ATOM 1311 C ARG A 86 -5.616 -10.532 0.957 1.00 0.00 C ATOM 1312 O ARG A 86 -4.793 -9.632 1.119 1.00 0.00 O ATOM 1313 CB ARG A 86 -5.485 -12.644 2.349 1.00 0.00 C ATOM 1314 CG ARG A 86 -4.860 -11.936 3.548 1.00 0.00 C ATOM 1315 CD ARG A 86 -5.301 -12.574 4.865 1.00 0.00 C ATOM 1316 NE ARG A 86 -4.879 -13.971 4.970 1.00 0.00 N ATOM 1317 CZ ARG A 86 -5.596 -14.926 5.501 1.00 0.00 C ATOM 1318 NH1 ARG A 86 -6.789 -14.695 5.942 1.00 0.00 N ATOM 1319 NH2 ARG A 86 -5.108 -16.119 5.582 1.00 0.00 N ATOM 0 H ARG A 86 -3.179 -11.303 0.975 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.716 -12.547 0.217 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -6.567 -12.665 2.480 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.145 -13.680 2.338 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.774 -11.974 3.469 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.143 -10.883 3.539 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.886 -12.007 5.698 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.386 -12.517 4.949 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.960 -14.217 4.603 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -7.183 -13.757 5.878 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.336 -15.451 6.354 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -4.169 -16.311 5.233 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.662 -16.869 5.995 1.00 0.00 H new ATOM 1333 N PRO A 87 -6.927 -10.267 0.738 1.00 0.00 N ATOM 1334 CA PRO A 87 -7.470 -8.891 0.680 1.00 0.00 C ATOM 1335 C PRO A 87 -7.058 -8.008 1.873 1.00 0.00 C ATOM 1336 O PRO A 87 -7.019 -8.465 3.020 1.00 0.00 O ATOM 1337 CB PRO A 87 -8.988 -9.113 0.679 1.00 0.00 C ATOM 1338 CG PRO A 87 -9.167 -10.460 0.067 1.00 0.00 C ATOM 1339 CD PRO A 87 -7.982 -11.278 0.516 1.00 0.00 C ATOM 0 HA PRO A 87 -7.090 -8.355 -0.190 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -9.395 -9.079 1.690 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -9.501 -8.344 0.102 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -10.102 -10.916 0.392 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -9.206 -10.393 -1.020 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.201 -11.835 1.427 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -7.687 -12.006 -0.240 1.00 0.00 H new ATOM 1347 N LEU A 88 -6.770 -6.737 1.596 1.00 0.00 N ATOM 1348 CA LEU A 88 -6.335 -5.797 2.631 1.00 0.00 C ATOM 1349 C LEU A 88 -7.537 -5.090 3.275 1.00 0.00 C ATOM 1350 O LEU A 88 -8.079 -4.131 2.726 1.00 0.00 O ATOM 1351 CB LEU A 88 -5.368 -4.762 2.031 1.00 0.00 C ATOM 1352 CG LEU A 88 -4.795 -3.728 3.020 1.00 0.00 C ATOM 1353 CD1 LEU A 88 -3.992 -4.414 4.123 1.00 0.00 C ATOM 1354 CD2 LEU A 88 -3.930 -2.702 2.287 1.00 0.00 C ATOM 0 H LEU A 88 -6.830 -6.333 0.661 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.818 -6.360 3.408 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.537 -5.294 1.569 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.886 -4.227 1.235 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.632 -3.206 3.484 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.599 -3.663 4.808 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.638 -5.101 4.670 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.165 -4.969 3.680 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.535 -1.981 3.003 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.103 -3.211 1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.534 -2.182 1.544 1.00 0.00 H new ATOM 1366 N LEU A 89 -7.970 -5.583 4.428 1.00 0.00 N ATOM 1367 CA LEU A 89 -9.062 -4.949 5.167 1.00 0.00 C ATOM 1368 C LEU A 89 -8.623 -3.588 5.725 1.00 0.00 C ATOM 1369 O LEU A 89 -7.557 -3.469 6.330 1.00 0.00 O ATOM 1370 CB LEU A 89 -9.533 -5.860 6.308 1.00 0.00 C ATOM 1371 CG LEU A 89 -10.052 -7.240 5.873 1.00 0.00 C ATOM 1372 CD1 LEU A 89 -10.465 -8.073 7.086 1.00 0.00 C ATOM 1373 CD2 LEU A 89 -11.216 -7.099 4.891 1.00 0.00 C ATOM 0 H LEU A 89 -7.586 -6.416 4.873 1.00 0.00 H new ATOM 0 HA LEU A 89 -9.892 -4.788 4.478 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -8.705 -6.003 7.002 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.324 -5.349 6.857 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.240 -7.761 5.365 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -10.829 -9.045 6.753 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.605 -8.212 7.741 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.256 -7.556 7.630 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.566 -8.089 4.597 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.030 -6.553 5.368 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.883 -6.555 4.007 1.00 0.00 H new ATOM 1385 N VAL A 90 -9.452 -2.566 5.531 1.00 0.00 N ATOM 1386 CA VAL A 90 -9.132 -1.210 5.994 1.00 0.00 C ATOM 1387 C VAL A 90 -8.931 -1.173 7.518 1.00 0.00 C ATOM 1388 O VAL A 90 -8.028 -0.505 8.021 1.00 0.00 O ATOM 1389 CB VAL A 90 -10.237 -0.205 5.580 1.00 0.00 C ATOM 1390 CG1 VAL A 90 -9.952 1.193 6.131 1.00 0.00 C ATOM 1391 CG2 VAL A 90 -10.376 -0.166 4.058 1.00 0.00 C ATOM 0 H VAL A 90 -10.351 -2.646 5.057 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.197 -0.917 5.517 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.180 -0.545 6.009 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -10.745 1.874 5.823 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.910 1.153 7.219 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.997 1.549 5.744 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -11.156 0.544 3.782 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.430 0.143 3.614 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.642 -1.157 3.691 1.00 0.00 H new ATOM 1401 N SER A 91 -9.757 -1.924 8.244 1.00 0.00 N ATOM 1402 CA SER A 91 -9.651 -2.001 9.712 1.00 0.00 C ATOM 1403 C SER A 91 -8.371 -2.723 10.164 1.00 0.00 C ATOM 1404 O SER A 91 -8.043 -2.733 11.351 1.00 0.00 O ATOM 1405 CB SER A 91 -10.879 -2.706 10.298 1.00 0.00 C ATOM 1406 OG SER A 91 -12.068 -1.989 9.999 1.00 0.00 O ATOM 0 H SER A 91 -10.508 -2.489 7.847 1.00 0.00 H new ATOM 0 HA SER A 91 -9.603 -0.978 10.085 1.00 0.00 H new ATOM 0 HB2 SER A 91 -10.949 -3.717 9.896 1.00 0.00 H new ATOM 0 HB3 SER A 91 -10.768 -2.799 11.378 1.00 0.00 H new ATOM 0 HG SER A 91 -12.838 -2.459 10.382 1.00 0.00 H new ATOM 1412 N GLU A 92 -7.654 -3.325 9.217 1.00 0.00 N ATOM 1413 CA GLU A 92 -6.393 -4.018 9.516 1.00 0.00 C ATOM 1414 C GLU A 92 -5.198 -3.049 9.432 1.00 0.00 C ATOM 1415 O GLU A 92 -4.182 -3.229 10.114 1.00 0.00 O ATOM 1416 CB GLU A 92 -6.194 -5.178 8.529 1.00 0.00 C ATOM 1417 CG GLU A 92 -5.075 -6.143 8.908 1.00 0.00 C ATOM 1418 CD GLU A 92 -5.432 -7.012 10.106 1.00 0.00 C ATOM 1419 OE1 GLU A 92 -6.044 -8.081 9.904 1.00 0.00 O ATOM 1420 OE2 GLU A 92 -5.109 -6.631 11.252 1.00 0.00 O ATOM 0 H GLU A 92 -7.922 -3.349 8.233 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.446 -4.408 10.533 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -7.127 -5.736 8.450 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -5.984 -4.767 7.542 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.847 -6.782 8.055 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -4.171 -5.576 9.132 1.00 0.00 H new ATOM 1427 N VAL A 93 -5.339 -2.015 8.598 1.00 0.00 N ATOM 1428 CA VAL A 93 -4.269 -1.034 8.368 1.00 0.00 C ATOM 1429 C VAL A 93 -3.981 -0.208 9.635 1.00 0.00 C ATOM 1430 O VAL A 93 -4.897 0.121 10.392 1.00 0.00 O ATOM 1431 CB VAL A 93 -4.643 -0.070 7.209 1.00 0.00 C ATOM 1432 CG1 VAL A 93 -3.482 0.867 6.869 1.00 0.00 C ATOM 1433 CG2 VAL A 93 -5.087 -0.857 5.976 1.00 0.00 C ATOM 0 H VAL A 93 -6.190 -1.833 8.066 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.373 -1.595 8.101 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.478 0.546 7.542 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.775 1.529 6.054 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.226 1.462 7.746 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.617 0.278 6.565 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.345 -0.164 5.175 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.275 -1.506 5.647 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -5.958 -1.463 6.225 1.00 0.00 H new ATOM 1443 N THR A 94 -2.711 0.121 9.866 1.00 0.00 N ATOM 1444 CA THR A 94 -2.324 0.925 11.035 1.00 0.00 C ATOM 1445 C THR A 94 -2.719 2.399 10.851 1.00 0.00 C ATOM 1446 O THR A 94 -3.567 2.920 11.580 1.00 0.00 O ATOM 1447 CB THR A 94 -0.801 0.833 11.317 1.00 0.00 C ATOM 1448 OG1 THR A 94 -0.423 -0.533 11.569 1.00 0.00 O ATOM 1449 CG2 THR A 94 -0.399 1.706 12.506 1.00 0.00 C ATOM 0 H THR A 94 -1.933 -0.153 9.266 1.00 0.00 H new ATOM 0 HA THR A 94 -2.862 0.514 11.889 1.00 0.00 H new ATOM 0 HB THR A 94 -0.278 1.198 10.433 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.660 -0.773 12.489 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.674 1.618 12.676 1.00 0.00 H new ATOM 0 HG22 THR A 94 -0.649 2.746 12.295 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.935 1.378 13.396 1.00 0.00 H new ATOM 1457 N ARG A 95 -2.106 3.069 9.872 1.00 0.00 N ATOM 1458 CA ARG A 95 -2.406 4.486 9.590 1.00 0.00 C ATOM 1459 C ARG A 95 -2.253 4.817 8.097 1.00 0.00 C ATOM 1460 O ARG A 95 -1.579 4.105 7.353 1.00 0.00 O ATOM 1461 CB ARG A 95 -1.489 5.417 10.406 1.00 0.00 C ATOM 1462 CG ARG A 95 -1.745 5.399 11.911 1.00 0.00 C ATOM 1463 CD ARG A 95 -0.923 6.460 12.638 1.00 0.00 C ATOM 1464 NE ARG A 95 -1.197 7.805 12.131 1.00 0.00 N ATOM 1465 CZ ARG A 95 -1.743 8.765 12.832 1.00 0.00 C ATOM 1466 NH1 ARG A 95 -2.108 8.563 14.060 1.00 0.00 N ATOM 1467 NH2 ARG A 95 -1.936 9.923 12.291 1.00 0.00 N ATOM 0 H ARG A 95 -1.400 2.660 9.260 1.00 0.00 H new ATOM 0 HA ARG A 95 -3.444 4.649 9.880 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.452 5.136 10.223 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -1.611 6.437 10.042 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -2.805 5.567 12.102 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -1.501 4.414 12.309 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -1.144 6.422 13.705 1.00 0.00 H new ATOM 0 HD3 ARG A 95 0.138 6.238 12.524 1.00 0.00 H new ATOM 0 HE ARG A 95 -0.945 8.008 11.164 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -1.970 7.648 14.489 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -2.533 9.319 14.597 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -1.663 10.085 11.322 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -2.361 10.675 12.833 1.00 0.00 H new ATOM 1481 N GLU A 96 -2.887 5.909 7.672 1.00 0.00 N ATOM 1482 CA GLU A 96 -2.748 6.412 6.299 1.00 0.00 C ATOM 1483 C GLU A 96 -1.961 7.732 6.281 1.00 0.00 C ATOM 1484 O GLU A 96 -1.815 8.397 7.312 1.00 0.00 O ATOM 1485 CB GLU A 96 -4.131 6.629 5.663 1.00 0.00 C ATOM 1486 CG GLU A 96 -4.955 7.725 6.337 1.00 0.00 C ATOM 1487 CD GLU A 96 -6.314 7.934 5.685 1.00 0.00 C ATOM 1488 OE1 GLU A 96 -7.261 7.188 6.020 1.00 0.00 O ATOM 1489 OE2 GLU A 96 -6.448 8.842 4.838 1.00 0.00 O ATOM 0 H GLU A 96 -3.506 6.467 8.260 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.201 5.666 5.721 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -4.001 6.881 4.610 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -4.689 5.693 5.701 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.097 7.471 7.387 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -4.397 8.661 6.309 1.00 0.00 H new ATOM 1496 N ALA A 97 -1.447 8.107 5.113 1.00 0.00 N ATOM 1497 CA ALA A 97 -0.757 9.391 4.953 1.00 0.00 C ATOM 1498 C ALA A 97 -0.827 9.890 3.502 1.00 0.00 C ATOM 1499 O ALA A 97 -0.184 9.331 2.616 1.00 0.00 O ATOM 1500 CB ALA A 97 0.697 9.269 5.405 1.00 0.00 C ATOM 0 H ALA A 97 -1.493 7.544 4.263 1.00 0.00 H new ATOM 0 HA ALA A 97 -1.264 10.124 5.580 1.00 0.00 H new ATOM 0 HB1 ALA A 97 1.198 10.229 5.281 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.728 8.976 6.454 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.203 8.515 4.802 1.00 0.00 H new ATOM 1506 N ASP A 98 -1.627 10.927 3.259 1.00 0.00 N ATOM 1507 CA ASP A 98 -1.714 11.536 1.926 1.00 0.00 C ATOM 1508 C ASP A 98 -0.340 12.074 1.485 1.00 0.00 C ATOM 1509 O ASP A 98 0.247 12.935 2.145 1.00 0.00 O ATOM 1510 CB ASP A 98 -2.763 12.652 1.925 1.00 0.00 C ATOM 1511 CG ASP A 98 -4.147 12.134 2.279 1.00 0.00 C ATOM 1512 OD1 ASP A 98 -4.824 11.581 1.388 1.00 0.00 O ATOM 1513 OD2 ASP A 98 -4.563 12.274 3.450 1.00 0.00 O ATOM 0 H ASP A 98 -2.223 11.364 3.962 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.021 10.773 1.211 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -2.472 13.424 2.638 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.792 13.121 0.941 1.00 0.00 H new ATOM 1518 N LEU A 99 0.166 11.555 0.370 1.00 0.00 N ATOM 1519 CA LEU A 99 1.535 11.843 -0.081 1.00 0.00 C ATOM 1520 C LEU A 99 1.531 12.700 -1.363 1.00 0.00 C ATOM 1521 O LEU A 99 0.812 12.403 -2.321 1.00 0.00 O ATOM 1522 CB LEU A 99 2.270 10.501 -0.298 1.00 0.00 C ATOM 1523 CG LEU A 99 3.809 10.553 -0.432 1.00 0.00 C ATOM 1524 CD1 LEU A 99 4.234 11.112 -1.783 1.00 0.00 C ATOM 1525 CD2 LEU A 99 4.426 11.367 0.704 1.00 0.00 C ATOM 0 H LEU A 99 -0.351 10.928 -0.246 1.00 0.00 H new ATOM 0 HA LEU A 99 2.058 12.424 0.678 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.025 9.843 0.536 1.00 0.00 H new ATOM 0 HB3 LEU A 99 1.868 10.037 -1.199 1.00 0.00 H new ATOM 0 HG LEU A 99 4.178 9.530 -0.365 1.00 0.00 H new ATOM 0 HD11 LEU A 99 5.322 11.134 -1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.840 10.479 -2.579 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.844 12.123 -1.897 1.00 0.00 H new ATOM 0 HD21 LEU A 99 5.510 11.390 0.589 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.037 12.385 0.675 1.00 0.00 H new ATOM 0 HD23 LEU A 99 4.172 10.908 1.660 1.00 0.00 H new ATOM 1537 N ASP A 100 2.352 13.756 -1.375 1.00 0.00 N ATOM 1538 CA ASP A 100 2.416 14.684 -2.515 1.00 0.00 C ATOM 1539 C ASP A 100 3.861 14.809 -3.066 1.00 0.00 C ATOM 1540 O ASP A 100 4.790 14.172 -2.560 1.00 0.00 O ATOM 1541 CB ASP A 100 1.863 16.056 -2.090 1.00 0.00 C ATOM 1542 CG ASP A 100 1.352 16.869 -3.268 1.00 0.00 C ATOM 1543 OD1 ASP A 100 0.209 16.624 -3.710 1.00 0.00 O ATOM 1544 OD2 ASP A 100 2.086 17.754 -3.761 1.00 0.00 O ATOM 0 H ASP A 100 2.983 13.991 -0.609 1.00 0.00 H new ATOM 0 HA ASP A 100 1.802 14.287 -3.323 1.00 0.00 H new ATOM 0 HB2 ASP A 100 1.054 15.912 -1.374 1.00 0.00 H new ATOM 0 HB3 ASP A 100 2.645 16.617 -1.578 1.00 0.00 H new ATOM 1549 N LEU A 101 4.042 15.641 -4.098 1.00 0.00 N ATOM 1550 CA LEU A 101 5.328 15.750 -4.812 1.00 0.00 C ATOM 1551 C LEU A 101 6.207 16.894 -4.273 1.00 0.00 C ATOM 1552 O LEU A 101 5.741 17.767 -3.536 1.00 0.00 O ATOM 1553 CB LEU A 101 5.068 15.984 -6.308 1.00 0.00 C ATOM 1554 CG LEU A 101 4.095 15.002 -6.981 1.00 0.00 C ATOM 1555 CD1 LEU A 101 3.867 15.394 -8.438 1.00 0.00 C ATOM 1556 CD2 LEU A 101 4.608 13.566 -6.881 1.00 0.00 C ATOM 0 H LEU A 101 3.312 16.254 -4.462 1.00 0.00 H new ATOM 0 HA LEU A 101 5.864 14.814 -4.653 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.681 16.995 -6.436 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.021 15.939 -6.834 1.00 0.00 H new ATOM 0 HG LEU A 101 3.142 15.053 -6.455 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.176 14.689 -8.901 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.445 16.398 -8.483 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.817 15.375 -8.973 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.901 12.892 -7.365 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.577 13.491 -7.375 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.713 13.289 -5.832 1.00 0.00 H new ATOM 1568 N ASP A 102 7.488 16.881 -4.651 1.00 0.00 N ATOM 1569 CA ASP A 102 8.415 17.966 -4.306 1.00 0.00 C ATOM 1570 C ASP A 102 8.727 18.846 -5.537 1.00 0.00 C ATOM 1571 O ASP A 102 8.025 18.798 -6.548 1.00 0.00 O ATOM 1572 CB ASP A 102 9.714 17.377 -3.740 1.00 0.00 C ATOM 1573 CG ASP A 102 10.597 16.779 -4.821 1.00 0.00 C ATOM 1574 OD1 ASP A 102 10.120 15.915 -5.573 1.00 0.00 O ATOM 1575 OD2 ASP A 102 11.765 17.200 -4.936 1.00 0.00 O ATOM 0 H ASP A 102 7.909 16.130 -5.197 1.00 0.00 H new ATOM 0 HA ASP A 102 7.941 18.595 -3.552 1.00 0.00 H new ATOM 0 HB2 ASP A 102 10.265 18.157 -3.215 1.00 0.00 H new ATOM 0 HB3 ASP A 102 9.472 16.608 -3.006 1.00 0.00 H new ATOM 1580 N ALA A 103 9.804 19.630 -5.443 1.00 0.00 N ATOM 1581 CA ALA A 103 10.234 20.521 -6.531 1.00 0.00 C ATOM 1582 C ALA A 103 10.547 19.762 -7.839 1.00 0.00 C ATOM 1583 O ALA A 103 10.360 20.297 -8.933 1.00 0.00 O ATOM 1584 CB ALA A 103 11.450 21.323 -6.086 1.00 0.00 C ATOM 0 H ALA A 103 10.401 19.667 -4.617 1.00 0.00 H new ATOM 0 HA ALA A 103 9.402 21.191 -6.748 1.00 0.00 H new ATOM 0 HB1 ALA A 103 11.767 21.982 -6.894 1.00 0.00 H new ATOM 0 HB2 ALA A 103 11.192 21.919 -5.211 1.00 0.00 H new ATOM 0 HB3 ALA A 103 12.263 20.642 -5.834 1.00 0.00 H new ATOM 1590 N ASP A 104 11.008 18.516 -7.724 1.00 0.00 N ATOM 1591 CA ASP A 104 11.359 17.703 -8.897 1.00 0.00 C ATOM 1592 C ASP A 104 10.150 16.900 -9.399 1.00 0.00 C ATOM 1593 O ASP A 104 10.230 16.203 -10.416 1.00 0.00 O ATOM 1594 CB ASP A 104 12.514 16.748 -8.564 1.00 0.00 C ATOM 1595 CG ASP A 104 13.846 17.464 -8.399 1.00 0.00 C ATOM 1596 OD1 ASP A 104 14.536 17.690 -9.415 1.00 0.00 O ATOM 1597 OD2 ASP A 104 14.219 17.797 -7.256 1.00 0.00 O ATOM 0 H ASP A 104 11.148 18.044 -6.831 1.00 0.00 H new ATOM 0 HA ASP A 104 11.674 18.383 -9.688 1.00 0.00 H new ATOM 0 HB2 ASP A 104 12.280 16.210 -7.645 1.00 0.00 H new ATOM 0 HB3 ASP A 104 12.603 16.004 -9.355 1.00 0.00 H new ATOM 1602 N GLY A 105 9.031 17.001 -8.685 1.00 0.00 N ATOM 1603 CA GLY A 105 7.834 16.264 -9.063 1.00 0.00 C ATOM 1604 C GLY A 105 7.861 14.810 -8.604 1.00 0.00 C ATOM 1605 O GLY A 105 7.122 13.966 -9.121 1.00 0.00 O ATOM 0 H GLY A 105 8.931 17.580 -7.851 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.960 16.758 -8.637 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.722 16.295 -10.147 1.00 0.00 H new ATOM 1609 N VAL A 106 8.716 14.524 -7.630 1.00 0.00 N ATOM 1610 CA VAL A 106 8.865 13.179 -7.074 1.00 0.00 C ATOM 1611 C VAL A 106 8.093 13.043 -5.750 1.00 0.00 C ATOM 1612 O VAL A 106 8.102 13.963 -4.927 1.00 0.00 O ATOM 1613 CB VAL A 106 10.367 12.859 -6.829 1.00 0.00 C ATOM 1614 CG1 VAL A 106 10.546 11.522 -6.113 1.00 0.00 C ATOM 1615 CG2 VAL A 106 11.143 12.877 -8.146 1.00 0.00 C ATOM 0 H VAL A 106 9.328 15.218 -7.200 1.00 0.00 H new ATOM 0 HA VAL A 106 8.455 12.472 -7.795 1.00 0.00 H new ATOM 0 HB VAL A 106 10.770 13.636 -6.179 1.00 0.00 H new ATOM 0 HG11 VAL A 106 11.608 11.331 -5.959 1.00 0.00 H new ATOM 0 HG12 VAL A 106 10.039 11.555 -5.149 1.00 0.00 H new ATOM 0 HG13 VAL A 106 10.119 10.724 -6.720 1.00 0.00 H new ATOM 0 HG21 VAL A 106 12.192 12.651 -7.953 1.00 0.00 H new ATOM 0 HG22 VAL A 106 10.729 12.129 -8.823 1.00 0.00 H new ATOM 0 HG23 VAL A 106 11.062 13.864 -8.602 1.00 0.00 H new ATOM 1625 N PRO A 107 7.387 11.911 -5.531 1.00 0.00 N ATOM 1626 CA PRO A 107 6.766 11.615 -4.231 1.00 0.00 C ATOM 1627 C PRO A 107 7.783 11.748 -3.088 1.00 0.00 C ATOM 1628 O PRO A 107 8.619 10.864 -2.868 1.00 0.00 O ATOM 1629 CB PRO A 107 6.290 10.164 -4.389 1.00 0.00 C ATOM 1630 CG PRO A 107 6.067 10.007 -5.854 1.00 0.00 C ATOM 1631 CD PRO A 107 7.120 10.851 -6.524 1.00 0.00 C ATOM 0 HA PRO A 107 5.958 12.301 -3.978 1.00 0.00 H new ATOM 0 HB2 PRO A 107 7.036 9.459 -4.022 1.00 0.00 H new ATOM 0 HB3 PRO A 107 5.375 9.982 -3.826 1.00 0.00 H new ATOM 0 HG2 PRO A 107 6.155 8.962 -6.153 1.00 0.00 H new ATOM 0 HG3 PRO A 107 5.066 10.336 -6.134 1.00 0.00 H new ATOM 0 HD2 PRO A 107 8.017 10.273 -6.747 1.00 0.00 H new ATOM 0 HD3 PRO A 107 6.764 11.264 -7.468 1.00 0.00 H new ATOM 1639 N GLN A 108 7.724 12.866 -2.375 1.00 0.00 N ATOM 1640 CA GLN A 108 8.788 13.227 -1.442 1.00 0.00 C ATOM 1641 C GLN A 108 8.692 12.470 -0.108 1.00 0.00 C ATOM 1642 O GLN A 108 8.151 12.973 0.878 1.00 0.00 O ATOM 1643 CB GLN A 108 8.799 14.747 -1.207 1.00 0.00 C ATOM 1644 CG GLN A 108 10.018 15.237 -0.428 1.00 0.00 C ATOM 1645 CD GLN A 108 11.340 14.855 -1.083 1.00 0.00 C ATOM 1646 OE1 GLN A 108 12.331 14.602 -0.409 1.00 0.00 O ATOM 1647 NE2 GLN A 108 11.373 14.808 -2.401 1.00 0.00 N ATOM 0 H GLN A 108 6.956 13.536 -2.423 1.00 0.00 H new ATOM 0 HA GLN A 108 9.730 12.928 -1.901 1.00 0.00 H new ATOM 0 HB2 GLN A 108 8.766 15.255 -2.171 1.00 0.00 H new ATOM 0 HB3 GLN A 108 7.895 15.029 -0.666 1.00 0.00 H new ATOM 0 HG2 GLN A 108 9.968 16.321 -0.331 1.00 0.00 H new ATOM 0 HG3 GLN A 108 9.987 14.825 0.581 1.00 0.00 H new ATOM 0 HE21 GLN A 108 10.534 15.023 -2.940 1.00 0.00 H new ATOM 0 HE22 GLN A 108 12.237 14.557 -2.881 1.00 0.00 H new ATOM 1656 N LEU A 109 9.213 11.245 -0.088 1.00 0.00 N ATOM 1657 CA LEU A 109 9.360 10.497 1.164 1.00 0.00 C ATOM 1658 C LEU A 109 10.657 10.891 1.885 1.00 0.00 C ATOM 1659 O LEU A 109 10.837 10.584 3.059 1.00 0.00 O ATOM 1660 CB LEU A 109 9.331 8.978 0.922 1.00 0.00 C ATOM 1661 CG LEU A 109 7.949 8.378 0.599 1.00 0.00 C ATOM 1662 CD1 LEU A 109 7.408 8.925 -0.717 1.00 0.00 C ATOM 1663 CD2 LEU A 109 8.018 6.851 0.566 1.00 0.00 C ATOM 0 H LEU A 109 9.539 10.750 -0.918 1.00 0.00 H new ATOM 0 HA LEU A 109 8.511 10.755 1.798 1.00 0.00 H new ATOM 0 HB2 LEU A 109 10.008 8.747 0.100 1.00 0.00 H new ATOM 0 HB3 LEU A 109 9.724 8.480 1.808 1.00 0.00 H new ATOM 0 HG LEU A 109 7.260 8.672 1.391 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.432 8.485 -0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.310 10.008 -0.648 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.095 8.674 -1.525 1.00 0.00 H new ATOM 0 HD21 LEU A 109 7.032 6.447 0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 109 8.727 6.535 -0.200 1.00 0.00 H new ATOM 0 HD23 LEU A 109 8.345 6.480 1.538 1.00 0.00 H new ATOM 1675 N GLY A 110 11.553 11.581 1.174 1.00 0.00 N ATOM 1676 CA GLY A 110 12.790 12.068 1.783 1.00 0.00 C ATOM 1677 C GLY A 110 12.543 12.966 2.992 1.00 0.00 C ATOM 1678 O GLY A 110 13.245 12.873 4.002 1.00 0.00 O ATOM 0 H GLY A 110 11.446 11.812 0.186 1.00 0.00 H new ATOM 0 HA2 GLY A 110 13.399 11.217 2.087 1.00 0.00 H new ATOM 0 HA3 GLY A 110 13.363 12.620 1.038 1.00 0.00 H new ATOM 1682 N ASP A 111 11.550 13.846 2.883 1.00 0.00 N ATOM 1683 CA ASP A 111 11.124 14.680 4.011 1.00 0.00 C ATOM 1684 C ASP A 111 10.147 13.937 4.939 1.00 0.00 C ATOM 1685 O ASP A 111 10.102 14.198 6.142 1.00 0.00 O ATOM 1686 CB ASP A 111 10.489 15.980 3.506 1.00 0.00 C ATOM 1687 CG ASP A 111 11.530 16.981 3.035 1.00 0.00 C ATOM 1688 OD1 ASP A 111 12.067 16.813 1.925 1.00 0.00 O ATOM 1689 OD2 ASP A 111 11.828 17.933 3.788 1.00 0.00 O ATOM 0 H ASP A 111 11.023 14.002 2.024 1.00 0.00 H new ATOM 0 HA ASP A 111 12.014 14.919 4.593 1.00 0.00 H new ATOM 0 HB2 ASP A 111 9.807 15.755 2.686 1.00 0.00 H new ATOM 0 HB3 ASP A 111 9.894 16.425 4.303 1.00 0.00 H new ATOM 1694 N HIS A 112 9.379 13.002 4.379 1.00 0.00 N ATOM 1695 CA HIS A 112 8.384 12.251 5.150 1.00 0.00 C ATOM 1696 C HIS A 112 9.039 11.169 6.030 1.00 0.00 C ATOM 1697 O HIS A 112 8.446 10.701 7.004 1.00 0.00 O ATOM 1698 CB HIS A 112 7.373 11.620 4.185 1.00 0.00 C ATOM 1699 CG HIS A 112 6.266 10.883 4.865 1.00 0.00 C ATOM 1700 ND1 HIS A 112 5.155 11.502 5.386 1.00 0.00 N ATOM 1701 CD2 HIS A 112 6.106 9.566 5.107 1.00 0.00 C ATOM 1702 CE1 HIS A 112 4.358 10.601 5.919 1.00 0.00 C ATOM 1703 NE2 HIS A 112 4.909 9.414 5.764 1.00 0.00 N ATOM 0 H HIS A 112 9.426 12.745 3.393 1.00 0.00 H new ATOM 0 HA HIS A 112 7.873 12.942 5.821 1.00 0.00 H new ATOM 0 HB2 HIS A 112 6.944 12.403 3.560 1.00 0.00 H new ATOM 0 HB3 HIS A 112 7.899 10.934 3.521 1.00 0.00 H new ATOM 0 HD2 HIS A 112 6.792 8.777 4.835 1.00 0.00 H new ATOM 0 HE1 HIS A 112 3.413 10.800 6.402 1.00 0.00 H new ATOM 0 HE2 HIS A 112 4.512 8.529 6.080 1.00 0.00 H new ATOM 1712 N LEU A 113 10.258 10.770 5.674 1.00 0.00 N ATOM 1713 CA LEU A 113 10.996 9.741 6.419 1.00 0.00 C ATOM 1714 C LEU A 113 12.248 10.332 7.101 1.00 0.00 C ATOM 1715 O LEU A 113 12.465 11.545 7.094 1.00 0.00 O ATOM 1716 CB LEU A 113 11.402 8.595 5.475 1.00 0.00 C ATOM 1717 CG LEU A 113 10.253 7.924 4.696 1.00 0.00 C ATOM 1718 CD1 LEU A 113 10.788 6.814 3.794 1.00 0.00 C ATOM 1719 CD2 LEU A 113 9.185 7.381 5.644 1.00 0.00 C ATOM 0 H LEU A 113 10.762 11.144 4.870 1.00 0.00 H new ATOM 0 HA LEU A 113 10.339 9.352 7.197 1.00 0.00 H new ATOM 0 HB2 LEU A 113 12.125 8.981 4.757 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.912 7.831 6.061 1.00 0.00 H new ATOM 0 HG LEU A 113 9.788 8.684 4.068 1.00 0.00 H new ATOM 0 HD11 LEU A 113 9.961 6.354 3.254 1.00 0.00 H new ATOM 0 HD12 LEU A 113 11.498 7.234 3.082 1.00 0.00 H new ATOM 0 HD13 LEU A 113 11.288 6.060 4.402 1.00 0.00 H new ATOM 0 HD21 LEU A 113 8.388 6.914 5.065 1.00 0.00 H new ATOM 0 HD22 LEU A 113 9.631 6.642 6.310 1.00 0.00 H new ATOM 0 HD23 LEU A 113 8.773 8.199 6.234 1.00 0.00 H new