USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 806 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 27 LYS NZ :NH3+ 169:sc= 0.535 (180deg=-0.00778) USER MOD Set 1.2: A 94 SER OG : rot 180:sc= 0.487 USER MOD Set 2.1: A 40 GLN : amide:sc= -2.05 K(o=-1.9,f=-2.8!) USER MOD Set 2.2: A 48 ASN :FLIP amide:sc= -0.515 F(o=-5.4!,f=-1.9) USER MOD Set 2.3: A 50 TYR OH : rot -155:sc= 0.702 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot -120:sc= 1.25 USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -120:sc= -0.367 USER MOD Single : A 103 THR OG1 : rot -108:sc= 0.353 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 1.938 -0.815 -2.555 1.00 0.00 N ATOM 19 CA ARG A 2 2.108 -2.121 -3.206 1.00 0.00 C ATOM 20 C ARG A 2 3.512 -2.660 -2.859 1.00 0.00 C ATOM 21 O ARG A 2 4.519 -2.165 -3.381 1.00 0.00 O ATOM 22 CB ARG A 2 1.939 -1.968 -4.743 1.00 0.00 C ATOM 23 CG ARG A 2 0.689 -1.164 -5.177 1.00 0.00 C ATOM 24 CD ARG A 2 0.606 -0.975 -6.699 1.00 0.00 C ATOM 25 NE ARG A 2 1.764 -0.234 -7.221 1.00 0.00 N ATOM 26 CZ ARG A 2 2.025 -0.010 -8.512 1.00 0.00 C ATOM 27 NH1 ARG A 2 1.246 -0.508 -9.465 1.00 0.00 N ATOM 28 NH2 ARG A 2 3.093 0.690 -8.844 1.00 0.00 N ATOM 0 HA ARG A 2 1.354 -2.824 -2.852 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.827 -1.480 -5.146 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.890 -2.961 -5.191 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -0.207 -1.678 -4.829 1.00 0.00 H new ATOM 0 HG3 ARG A 2 0.704 -0.187 -4.694 1.00 0.00 H new ATOM 0 HD2 ARG A 2 0.550 -1.950 -7.184 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -0.310 -0.441 -6.950 1.00 0.00 H new ATOM 0 HE ARG A 2 2.424 0.141 -6.540 1.00 0.00 H new ATOM 0 HH11 ARG A 2 0.433 -1.072 -9.216 1.00 0.00 H new ATOM 0 HH12 ARG A 2 1.460 -0.327 -10.446 1.00 0.00 H new ATOM 0 HH21 ARG A 2 3.710 1.054 -8.118 1.00 0.00 H new ATOM 0 HH22 ARG A 2 3.302 0.867 -9.827 1.00 0.00 H new ATOM 42 N LEU A 3 3.572 -3.624 -1.930 1.00 0.00 N ATOM 43 CA LEU A 3 4.835 -4.235 -1.459 1.00 0.00 C ATOM 44 C LEU A 3 4.651 -5.744 -1.216 1.00 0.00 C ATOM 45 O LEU A 3 3.545 -6.283 -1.379 1.00 0.00 O ATOM 46 CB LEU A 3 5.379 -3.487 -0.181 1.00 0.00 C ATOM 47 CG LEU A 3 4.319 -2.875 0.806 1.00 0.00 C ATOM 48 CD1 LEU A 3 3.363 -3.935 1.358 1.00 0.00 C ATOM 49 CD2 LEU A 3 4.995 -2.091 1.959 1.00 0.00 C ATOM 0 H LEU A 3 2.743 -4.008 -1.477 1.00 0.00 H new ATOM 0 HA LEU A 3 5.589 -4.123 -2.239 1.00 0.00 H new ATOM 0 HB2 LEU A 3 5.998 -4.187 0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.033 -2.681 -0.515 1.00 0.00 H new ATOM 0 HG LEU A 3 3.725 -2.171 0.223 1.00 0.00 H new ATOM 0 HD11 LEU A 3 2.650 -3.465 2.035 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.826 -4.405 0.534 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.932 -4.691 1.899 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.230 -1.683 2.620 1.00 0.00 H new ATOM 0 HD22 LEU A 3 5.643 -2.761 2.524 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.589 -1.276 1.546 1.00 0.00 H new ATOM 61 N LYS A 4 5.750 -6.419 -0.828 1.00 0.00 N ATOM 62 CA LYS A 4 5.749 -7.873 -0.589 1.00 0.00 C ATOM 63 C LYS A 4 5.164 -8.207 0.809 1.00 0.00 C ATOM 64 O LYS A 4 4.966 -7.311 1.637 1.00 0.00 O ATOM 65 CB LYS A 4 7.190 -8.449 -0.762 1.00 0.00 C ATOM 66 CG LYS A 4 8.127 -8.303 0.451 1.00 0.00 C ATOM 67 CD LYS A 4 9.534 -8.906 0.221 1.00 0.00 C ATOM 68 CE LYS A 4 10.284 -8.237 -0.938 1.00 0.00 C ATOM 69 NZ LYS A 4 11.668 -8.744 -1.080 1.00 0.00 N ATOM 0 H LYS A 4 6.655 -5.976 -0.673 1.00 0.00 H new ATOM 0 HA LYS A 4 5.105 -8.348 -1.329 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.109 -9.508 -1.008 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.656 -7.958 -1.617 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.229 -7.246 0.696 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.670 -8.787 1.314 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.121 -8.806 1.134 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.439 -9.973 0.019 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.740 -8.408 -1.867 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.309 -7.159 -0.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 12.134 -8.263 -1.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 12.197 -8.558 -0.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 11.646 -9.768 -1.260 1.00 0.00 H new ATOM 83 N SER A 5 4.918 -9.506 1.050 1.00 0.00 N ATOM 84 CA SER A 5 4.339 -10.032 2.308 1.00 0.00 C ATOM 85 C SER A 5 5.214 -9.681 3.541 1.00 0.00 C ATOM 86 O SER A 5 4.705 -9.208 4.563 1.00 0.00 O ATOM 87 CB SER A 5 4.195 -11.565 2.174 1.00 0.00 C ATOM 88 OG SER A 5 3.522 -11.904 0.978 1.00 0.00 O ATOM 0 H SER A 5 5.118 -10.237 0.367 1.00 0.00 H new ATOM 0 HA SER A 5 3.366 -9.568 2.468 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.181 -12.030 2.186 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.646 -11.959 3.029 1.00 0.00 H new ATOM 0 HG SER A 5 2.703 -12.397 1.192 1.00 0.00 H new ATOM 94 N GLU A 6 6.535 -9.899 3.402 1.00 0.00 N ATOM 95 CA GLU A 6 7.536 -9.617 4.456 1.00 0.00 C ATOM 96 C GLU A 6 7.634 -8.115 4.758 1.00 0.00 C ATOM 97 O GLU A 6 7.845 -7.703 5.908 1.00 0.00 O ATOM 98 CB GLU A 6 8.928 -10.165 4.027 1.00 0.00 C ATOM 99 CG GLU A 6 10.079 -9.879 5.023 1.00 0.00 C ATOM 100 CD GLU A 6 11.353 -10.694 4.746 1.00 0.00 C ATOM 101 OE1 GLU A 6 12.219 -10.230 3.982 1.00 0.00 O ATOM 102 OE2 GLU A 6 11.498 -11.795 5.312 1.00 0.00 O ATOM 0 H GLU A 6 6.944 -10.279 2.549 1.00 0.00 H new ATOM 0 HA GLU A 6 7.211 -10.119 5.367 1.00 0.00 H new ATOM 0 HB2 GLU A 6 8.850 -11.243 3.885 1.00 0.00 H new ATOM 0 HB3 GLU A 6 9.189 -9.735 3.060 1.00 0.00 H new ATOM 0 HG2 GLU A 6 10.323 -8.817 4.988 1.00 0.00 H new ATOM 0 HG3 GLU A 6 9.734 -10.093 6.034 1.00 0.00 H new ATOM 109 N MET A 7 7.490 -7.302 3.712 1.00 0.00 N ATOM 110 CA MET A 7 7.580 -5.849 3.838 1.00 0.00 C ATOM 111 C MET A 7 6.279 -5.275 4.437 1.00 0.00 C ATOM 112 O MET A 7 6.305 -4.228 5.096 1.00 0.00 O ATOM 113 CB MET A 7 7.916 -5.196 2.474 1.00 0.00 C ATOM 114 CG MET A 7 8.269 -3.714 2.592 1.00 0.00 C ATOM 115 SD MET A 7 9.642 -3.442 3.742 1.00 0.00 S ATOM 116 CE MET A 7 9.198 -1.877 4.499 1.00 0.00 C ATOM 0 H MET A 7 7.309 -7.628 2.763 1.00 0.00 H new ATOM 0 HA MET A 7 8.394 -5.611 4.523 1.00 0.00 H new ATOM 0 HB2 MET A 7 8.752 -5.728 2.019 1.00 0.00 H new ATOM 0 HB3 MET A 7 7.064 -5.309 1.804 1.00 0.00 H new ATOM 0 HG2 MET A 7 8.534 -3.324 1.609 1.00 0.00 H new ATOM 0 HG3 MET A 7 7.395 -3.158 2.931 1.00 0.00 H new ATOM 0 HE1 MET A 7 9.960 -1.595 5.226 1.00 0.00 H new ATOM 0 HE2 MET A 7 9.128 -1.108 3.730 1.00 0.00 H new ATOM 0 HE3 MET A 7 8.236 -1.976 5.001 1.00 0.00 H new ATOM 126 N PHE A 8 5.150 -5.991 4.233 1.00 0.00 N ATOM 127 CA PHE A 8 3.837 -5.553 4.728 1.00 0.00 C ATOM 128 C PHE A 8 3.774 -5.745 6.245 1.00 0.00 C ATOM 129 O PHE A 8 3.334 -4.846 6.957 1.00 0.00 O ATOM 130 CB PHE A 8 2.663 -6.312 4.030 1.00 0.00 C ATOM 131 CG PHE A 8 1.274 -5.726 4.351 1.00 0.00 C ATOM 132 CD1 PHE A 8 0.573 -6.095 5.503 1.00 0.00 C ATOM 133 CD2 PHE A 8 0.688 -4.771 3.517 1.00 0.00 C ATOM 134 CE1 PHE A 8 -0.654 -5.531 5.798 1.00 0.00 C ATOM 135 CE2 PHE A 8 -0.537 -4.207 3.819 1.00 0.00 C ATOM 136 CZ PHE A 8 -1.207 -4.586 4.958 1.00 0.00 C ATOM 0 H PHE A 8 5.128 -6.876 3.727 1.00 0.00 H new ATOM 0 HA PHE A 8 3.720 -4.497 4.487 1.00 0.00 H new ATOM 0 HB2 PHE A 8 2.817 -6.290 2.951 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.686 -7.359 4.334 1.00 0.00 H new ATOM 0 HD1 PHE A 8 0.996 -6.831 6.171 1.00 0.00 H new ATOM 0 HD2 PHE A 8 1.203 -4.467 2.618 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -1.183 -5.831 6.691 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.968 -3.468 3.160 1.00 0.00 H new ATOM 0 HZ PHE A 8 -2.164 -4.145 5.195 1.00 0.00 H new ATOM 146 N VAL A 9 4.226 -6.928 6.725 1.00 0.00 N ATOM 147 CA VAL A 9 4.167 -7.278 8.160 1.00 0.00 C ATOM 148 C VAL A 9 4.997 -6.300 9.009 1.00 0.00 C ATOM 149 O VAL A 9 4.526 -5.824 10.041 1.00 0.00 O ATOM 150 CB VAL A 9 4.609 -8.765 8.447 1.00 0.00 C ATOM 151 CG1 VAL A 9 3.667 -9.755 7.744 1.00 0.00 C ATOM 152 CG2 VAL A 9 6.078 -9.038 8.062 1.00 0.00 C ATOM 0 H VAL A 9 4.635 -7.654 6.137 1.00 0.00 H new ATOM 0 HA VAL A 9 3.119 -7.193 8.449 1.00 0.00 H new ATOM 0 HB VAL A 9 4.538 -8.912 9.525 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.989 -10.775 7.954 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.650 -9.612 8.110 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.693 -9.581 6.668 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.325 -10.077 8.282 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.216 -8.850 6.997 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.732 -8.381 8.634 1.00 0.00 H new ATOM 162 N SER A 10 6.209 -5.971 8.523 1.00 0.00 N ATOM 163 CA SER A 10 7.126 -5.044 9.199 1.00 0.00 C ATOM 164 C SER A 10 6.523 -3.626 9.241 1.00 0.00 C ATOM 165 O SER A 10 6.532 -2.973 10.287 1.00 0.00 O ATOM 166 CB SER A 10 8.497 -5.051 8.485 1.00 0.00 C ATOM 167 OG SER A 10 8.365 -4.741 7.104 1.00 0.00 O ATOM 0 H SER A 10 6.577 -6.344 7.648 1.00 0.00 H new ATOM 0 HA SER A 10 7.274 -5.371 10.228 1.00 0.00 H new ATOM 0 HB2 SER A 10 9.160 -4.328 8.960 1.00 0.00 H new ATOM 0 HB3 SER A 10 8.962 -6.031 8.597 1.00 0.00 H new ATOM 0 HG SER A 10 9.249 -4.752 6.680 1.00 0.00 H new ATOM 173 N ALA A 11 5.959 -3.191 8.099 1.00 0.00 N ATOM 174 CA ALA A 11 5.325 -1.860 7.961 1.00 0.00 C ATOM 175 C ALA A 11 4.055 -1.740 8.837 1.00 0.00 C ATOM 176 O ALA A 11 3.778 -0.670 9.393 1.00 0.00 O ATOM 177 CB ALA A 11 4.993 -1.582 6.486 1.00 0.00 C ATOM 0 H ALA A 11 5.928 -3.749 7.246 1.00 0.00 H new ATOM 0 HA ALA A 11 6.036 -1.112 8.312 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.527 -0.601 6.397 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.910 -1.604 5.896 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.307 -2.344 6.118 1.00 0.00 H new ATOM 183 N LEU A 12 3.322 -2.866 8.973 1.00 0.00 N ATOM 184 CA LEU A 12 2.066 -2.960 9.761 1.00 0.00 C ATOM 185 C LEU A 12 2.360 -2.660 11.238 1.00 0.00 C ATOM 186 O LEU A 12 1.603 -1.959 11.920 1.00 0.00 O ATOM 187 CB LEU A 12 1.446 -4.383 9.582 1.00 0.00 C ATOM 188 CG LEU A 12 -0.103 -4.555 9.799 1.00 0.00 C ATOM 189 CD1 LEU A 12 -0.552 -5.970 9.391 1.00 0.00 C ATOM 190 CD2 LEU A 12 -0.568 -4.249 11.244 1.00 0.00 C ATOM 0 H LEU A 12 3.586 -3.748 8.535 1.00 0.00 H new ATOM 0 HA LEU A 12 1.345 -2.225 9.404 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.680 -4.723 8.573 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.955 -5.056 10.272 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.578 -3.814 9.157 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.626 -6.070 9.548 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.322 -6.135 8.338 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.026 -6.708 9.997 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.647 -4.389 11.317 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.067 -4.924 11.938 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.318 -3.218 11.496 1.00 0.00 H new ATOM 202 N ILE A 13 3.487 -3.200 11.695 1.00 0.00 N ATOM 203 CA ILE A 13 3.988 -3.017 13.059 1.00 0.00 C ATOM 204 C ILE A 13 4.244 -1.520 13.357 1.00 0.00 C ATOM 205 O ILE A 13 3.875 -1.022 14.416 1.00 0.00 O ATOM 206 CB ILE A 13 5.277 -3.899 13.244 1.00 0.00 C ATOM 207 CG1 ILE A 13 4.886 -5.412 13.105 1.00 0.00 C ATOM 208 CG2 ILE A 13 6.007 -3.620 14.575 1.00 0.00 C ATOM 209 CD1 ILE A 13 6.034 -6.376 12.988 1.00 0.00 C ATOM 0 H ILE A 13 4.090 -3.788 11.119 1.00 0.00 H new ATOM 0 HA ILE A 13 3.240 -3.344 13.781 1.00 0.00 H new ATOM 0 HB ILE A 13 5.988 -3.633 12.461 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.286 -5.694 13.970 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.251 -5.524 12.226 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.888 -4.257 14.647 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.312 -2.574 14.611 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.337 -3.831 15.409 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.649 -7.392 12.897 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.625 -6.132 12.105 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.661 -6.304 13.876 1.00 0.00 H new ATOM 221 N ARG A 14 4.805 -0.793 12.377 1.00 0.00 N ATOM 222 CA ARG A 14 5.052 0.667 12.507 1.00 0.00 C ATOM 223 C ARG A 14 3.724 1.457 12.511 1.00 0.00 C ATOM 224 O ARG A 14 3.651 2.541 13.104 1.00 0.00 O ATOM 225 CB ARG A 14 6.007 1.190 11.388 1.00 0.00 C ATOM 226 CG ARG A 14 7.515 0.914 11.632 1.00 0.00 C ATOM 227 CD ARG A 14 7.860 -0.577 11.671 1.00 0.00 C ATOM 228 NE ARG A 14 9.266 -0.840 12.022 1.00 0.00 N ATOM 229 CZ ARG A 14 9.826 -2.060 12.070 1.00 0.00 C ATOM 230 NH1 ARG A 14 9.132 -3.147 11.738 1.00 0.00 N ATOM 231 NH2 ARG A 14 11.090 -2.182 12.436 1.00 0.00 N ATOM 0 H ARG A 14 5.099 -1.185 11.483 1.00 0.00 H new ATOM 0 HA ARG A 14 5.547 0.829 13.465 1.00 0.00 H new ATOM 0 HB2 ARG A 14 5.718 0.733 10.441 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.862 2.265 11.281 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.097 1.394 10.845 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.813 1.373 12.574 1.00 0.00 H new ATOM 0 HD2 ARG A 14 7.213 -1.074 12.394 1.00 0.00 H new ATOM 0 HD3 ARG A 14 7.647 -1.018 10.697 1.00 0.00 H new ATOM 0 HE ARG A 14 9.857 -0.039 12.244 1.00 0.00 H new ATOM 0 HH11 ARG A 14 8.160 -3.061 11.442 1.00 0.00 H new ATOM 0 HH12 ARG A 14 9.573 -4.066 11.780 1.00 0.00 H new ATOM 0 HH21 ARG A 14 11.633 -1.353 12.679 1.00 0.00 H new ATOM 0 HH22 ARG A 14 11.523 -3.105 12.475 1.00 0.00 H new ATOM 245 N ARG A 15 2.679 0.898 11.862 1.00 0.00 N ATOM 246 CA ARG A 15 1.341 1.523 11.826 1.00 0.00 C ATOM 247 C ARG A 15 0.682 1.481 13.219 1.00 0.00 C ATOM 248 O ARG A 15 0.074 2.468 13.653 1.00 0.00 O ATOM 249 CB ARG A 15 0.397 0.827 10.806 1.00 0.00 C ATOM 250 CG ARG A 15 0.891 0.773 9.350 1.00 0.00 C ATOM 251 CD ARG A 15 -0.187 0.244 8.374 1.00 0.00 C ATOM 252 NE ARG A 15 -1.303 1.204 8.218 1.00 0.00 N ATOM 253 CZ ARG A 15 -1.991 1.422 7.083 1.00 0.00 C ATOM 254 NH1 ARG A 15 -1.702 0.749 5.971 1.00 0.00 N ATOM 255 NH2 ARG A 15 -2.956 2.328 7.067 1.00 0.00 N ATOM 0 H ARG A 15 2.738 0.014 11.356 1.00 0.00 H new ATOM 0 HA ARG A 15 1.490 2.557 11.513 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.219 -0.193 11.145 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.564 1.341 10.823 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.200 1.771 9.038 1.00 0.00 H new ATOM 0 HG3 ARG A 15 1.772 0.134 9.293 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.266 0.051 7.401 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.574 -0.707 8.740 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.573 1.745 9.040 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.951 0.059 5.973 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.231 0.924 5.117 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.174 2.856 7.912 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.482 2.498 6.210 1.00 0.00 H new ATOM 269 N VAL A 16 0.796 0.322 13.905 1.00 0.00 N ATOM 270 CA VAL A 16 0.141 0.116 15.214 1.00 0.00 C ATOM 271 C VAL A 16 0.843 0.934 16.316 1.00 0.00 C ATOM 272 O VAL A 16 0.183 1.476 17.199 1.00 0.00 O ATOM 273 CB VAL A 16 0.054 -1.403 15.633 1.00 0.00 C ATOM 274 CG1 VAL A 16 -0.524 -2.268 14.499 1.00 0.00 C ATOM 275 CG2 VAL A 16 1.406 -1.952 16.103 1.00 0.00 C ATOM 0 H VAL A 16 1.333 -0.480 13.575 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.883 0.471 15.099 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.630 -1.455 16.480 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.570 -3.308 14.822 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.527 -1.921 14.251 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.115 -2.189 13.619 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.296 -3.000 16.381 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.134 -1.864 15.297 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.750 -1.382 16.966 1.00 0.00 H new ATOM 285 N PHE A 17 2.189 1.021 16.239 1.00 0.00 N ATOM 286 CA PHE A 17 3.005 1.823 17.171 1.00 0.00 C ATOM 287 C PHE A 17 2.758 3.329 16.943 1.00 0.00 C ATOM 288 O PHE A 17 2.855 4.129 17.882 1.00 0.00 O ATOM 289 CB PHE A 17 4.515 1.451 17.054 1.00 0.00 C ATOM 290 CG PHE A 17 4.910 0.168 17.799 1.00 0.00 C ATOM 291 CD1 PHE A 17 4.997 0.160 19.189 1.00 0.00 C ATOM 292 CD2 PHE A 17 5.185 -1.020 17.127 1.00 0.00 C ATOM 293 CE1 PHE A 17 5.346 -0.988 19.875 1.00 0.00 C ATOM 294 CE2 PHE A 17 5.531 -2.169 17.816 1.00 0.00 C ATOM 295 CZ PHE A 17 5.612 -2.151 19.186 1.00 0.00 C ATOM 0 H PHE A 17 2.738 0.537 15.529 1.00 0.00 H new ATOM 0 HA PHE A 17 2.700 1.591 18.192 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.768 1.338 16.000 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.112 2.278 17.438 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.788 1.065 19.740 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.127 -1.045 16.049 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.410 -0.973 20.953 1.00 0.00 H new ATOM 0 HE2 PHE A 17 5.738 -3.081 17.275 1.00 0.00 H new ATOM 0 HZ PHE A 17 5.884 -3.048 19.723 1.00 0.00 H new ATOM 305 N ALA A 18 2.408 3.699 15.691 1.00 0.00 N ATOM 306 CA ALA A 18 1.965 5.071 15.345 1.00 0.00 C ATOM 307 C ALA A 18 0.580 5.389 15.966 1.00 0.00 C ATOM 308 O ALA A 18 0.233 6.556 16.167 1.00 0.00 O ATOM 309 CB ALA A 18 1.930 5.260 13.819 1.00 0.00 C ATOM 0 H ALA A 18 2.424 3.061 14.896 1.00 0.00 H new ATOM 0 HA ALA A 18 2.688 5.771 15.765 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.602 6.273 13.585 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.927 5.097 13.409 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.236 4.544 13.379 1.00 0.00 H new ATOM 315 N ALA A 19 -0.211 4.331 16.244 1.00 0.00 N ATOM 316 CA ALA A 19 -1.512 4.438 16.955 1.00 0.00 C ATOM 317 C ALA A 19 -1.353 4.194 18.477 1.00 0.00 C ATOM 318 O ALA A 19 -2.343 4.238 19.223 1.00 0.00 O ATOM 319 CB ALA A 19 -2.523 3.442 16.353 1.00 0.00 C ATOM 0 H ALA A 19 0.031 3.375 15.983 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.886 5.454 16.824 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.474 3.526 16.879 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.671 3.668 15.297 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.140 2.427 16.457 1.00 0.00 H new ATOM 325 N GLY A 20 -0.108 3.917 18.921 1.00 0.00 N ATOM 326 CA GLY A 20 0.208 3.709 20.345 1.00 0.00 C ATOM 327 C GLY A 20 0.165 2.242 20.777 1.00 0.00 C ATOM 328 O GLY A 20 0.620 1.908 21.880 1.00 0.00 O ATOM 0 H GLY A 20 0.700 3.832 18.304 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.201 4.110 20.550 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.497 4.278 20.951 1.00 0.00 H new ATOM 332 N GLY A 21 -0.378 1.372 19.900 1.00 0.00 N ATOM 333 CA GLY A 21 -0.472 -0.065 20.161 1.00 0.00 C ATOM 334 C GLY A 21 0.862 -0.807 19.987 1.00 0.00 C ATOM 335 O GLY A 21 1.924 -0.186 19.873 1.00 0.00 O ATOM 0 H GLY A 21 -0.760 1.652 18.997 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.835 -0.219 21.177 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.212 -0.501 19.489 1.00 0.00 H new ATOM 339 N PHE A 22 0.788 -2.146 19.936 1.00 0.00 N ATOM 340 CA PHE A 22 1.963 -3.055 19.925 1.00 0.00 C ATOM 341 C PHE A 22 1.833 -4.050 18.759 1.00 0.00 C ATOM 342 O PHE A 22 0.729 -4.275 18.276 1.00 0.00 O ATOM 343 CB PHE A 22 2.044 -3.810 21.286 1.00 0.00 C ATOM 344 CG PHE A 22 3.129 -4.892 21.359 1.00 0.00 C ATOM 345 CD1 PHE A 22 4.469 -4.549 21.517 1.00 0.00 C ATOM 346 CD2 PHE A 22 2.805 -6.251 21.247 1.00 0.00 C ATOM 347 CE1 PHE A 22 5.450 -5.521 21.560 1.00 0.00 C ATOM 348 CE2 PHE A 22 3.788 -7.221 21.293 1.00 0.00 C ATOM 349 CZ PHE A 22 5.110 -6.854 21.450 1.00 0.00 C ATOM 0 H PHE A 22 -0.102 -2.644 19.900 1.00 0.00 H new ATOM 0 HA PHE A 22 2.878 -2.478 19.789 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.222 -3.083 22.078 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.077 -4.271 21.488 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.745 -3.509 21.607 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.773 -6.544 21.123 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.485 -5.237 21.680 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.523 -8.264 21.206 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.879 -7.611 21.487 1.00 0.00 H new ATOM 359 N ALA A 23 2.969 -4.613 18.287 1.00 0.00 N ATOM 360 CA ALA A 23 2.975 -5.687 17.268 1.00 0.00 C ATOM 361 C ALA A 23 4.294 -6.465 17.269 1.00 0.00 C ATOM 362 O ALA A 23 5.324 -5.966 17.750 1.00 0.00 O ATOM 363 CB ALA A 23 2.690 -5.146 15.870 1.00 0.00 C ATOM 0 H ALA A 23 3.900 -4.338 18.599 1.00 0.00 H new ATOM 0 HA ALA A 23 2.172 -6.372 17.540 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.704 -5.967 15.153 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.710 -4.669 15.857 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.453 -4.415 15.600 1.00 0.00 H new ATOM 369 N ALA A 24 4.238 -7.687 16.690 1.00 0.00 N ATOM 370 CA ALA A 24 5.373 -8.616 16.626 1.00 0.00 C ATOM 371 C ALA A 24 5.056 -9.772 15.656 1.00 0.00 C ATOM 372 O ALA A 24 3.957 -10.341 15.715 1.00 0.00 O ATOM 373 CB ALA A 24 5.679 -9.153 18.033 1.00 0.00 C ATOM 0 H ALA A 24 3.392 -8.052 16.252 1.00 0.00 H new ATOM 0 HA ALA A 24 6.252 -8.090 16.254 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.522 -9.843 17.984 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.928 -8.322 18.693 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.805 -9.676 18.421 1.00 0.00 H new ATOM 379 N VAL A 25 6.016 -10.105 14.762 1.00 0.00 N ATOM 380 CA VAL A 25 5.867 -11.219 13.797 1.00 0.00 C ATOM 381 C VAL A 25 6.110 -12.568 14.509 1.00 0.00 C ATOM 382 O VAL A 25 7.238 -12.880 14.919 1.00 0.00 O ATOM 383 CB VAL A 25 6.838 -11.090 12.555 1.00 0.00 C ATOM 384 CG1 VAL A 25 6.642 -12.261 11.548 1.00 0.00 C ATOM 385 CG2 VAL A 25 6.662 -9.725 11.849 1.00 0.00 C ATOM 0 H VAL A 25 6.907 -9.614 14.689 1.00 0.00 H new ATOM 0 HA VAL A 25 4.847 -11.172 13.414 1.00 0.00 H new ATOM 0 HB VAL A 25 7.858 -11.148 12.935 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.326 -12.137 10.709 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.847 -13.208 12.047 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.615 -12.258 11.182 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.342 -9.665 10.999 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.634 -9.626 11.499 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.885 -8.921 12.550 1.00 0.00 H new ATOM 395 N GLU A 26 5.030 -13.334 14.680 1.00 0.00 N ATOM 396 CA GLU A 26 5.060 -14.667 15.286 1.00 0.00 C ATOM 397 C GLU A 26 5.487 -15.731 14.255 1.00 0.00 C ATOM 398 O GLU A 26 6.559 -16.334 14.380 1.00 0.00 O ATOM 399 CB GLU A 26 3.670 -14.978 15.897 1.00 0.00 C ATOM 400 CG GLU A 26 3.202 -13.930 16.926 1.00 0.00 C ATOM 401 CD GLU A 26 4.185 -13.765 18.101 1.00 0.00 C ATOM 402 OE1 GLU A 26 4.196 -14.635 18.998 1.00 0.00 O ATOM 403 OE2 GLU A 26 4.968 -12.783 18.122 1.00 0.00 O ATOM 0 H GLU A 26 4.095 -13.041 14.397 1.00 0.00 H new ATOM 0 HA GLU A 26 5.802 -14.690 16.084 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.935 -15.041 15.094 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.703 -15.956 16.376 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.075 -12.969 16.427 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.225 -14.219 17.314 1.00 0.00 H new ATOM 410 N LYS A 27 4.646 -15.953 13.230 1.00 0.00 N ATOM 411 CA LYS A 27 4.920 -16.942 12.172 1.00 0.00 C ATOM 412 C LYS A 27 5.463 -16.245 10.920 1.00 0.00 C ATOM 413 O LYS A 27 5.082 -15.110 10.615 1.00 0.00 O ATOM 414 CB LYS A 27 3.640 -17.747 11.839 1.00 0.00 C ATOM 415 CG LYS A 27 3.803 -18.805 10.723 1.00 0.00 C ATOM 416 CD LYS A 27 2.518 -19.619 10.462 1.00 0.00 C ATOM 417 CE LYS A 27 2.660 -20.598 9.283 1.00 0.00 C ATOM 418 NZ LYS A 27 3.767 -21.568 9.457 1.00 0.00 N ATOM 0 H LYS A 27 3.763 -15.456 13.111 1.00 0.00 H new ATOM 0 HA LYS A 27 5.677 -17.638 12.533 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.298 -18.247 12.745 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.856 -17.049 11.545 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.103 -18.307 9.801 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.609 -19.488 10.994 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.258 -20.177 11.362 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.694 -18.934 10.262 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.725 -21.143 9.158 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.824 -20.031 8.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.696 -22.309 8.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.678 -21.076 9.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.704 -22.001 10.401 1.00 0.00 H new ATOM 432 N LYS A 28 6.354 -16.945 10.204 1.00 0.00 N ATOM 433 CA LYS A 28 6.952 -16.480 8.950 1.00 0.00 C ATOM 434 C LYS A 28 6.700 -17.524 7.841 1.00 0.00 C ATOM 435 O LYS A 28 6.865 -18.726 8.074 1.00 0.00 O ATOM 436 CB LYS A 28 8.473 -16.234 9.162 1.00 0.00 C ATOM 437 CG LYS A 28 9.221 -15.713 7.917 1.00 0.00 C ATOM 438 CD LYS A 28 10.687 -15.302 8.203 1.00 0.00 C ATOM 439 CE LYS A 28 11.385 -14.704 6.965 1.00 0.00 C ATOM 440 NZ LYS A 28 12.781 -14.277 7.248 1.00 0.00 N ATOM 0 H LYS A 28 6.684 -17.868 10.488 1.00 0.00 H new ATOM 0 HA LYS A 28 6.495 -15.540 8.642 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.602 -15.517 9.973 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.937 -17.166 9.484 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.212 -16.486 7.148 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.684 -14.855 7.513 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.705 -14.573 9.014 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.245 -16.174 8.545 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.390 -15.442 6.163 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.812 -13.848 6.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.205 -13.883 6.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.778 -13.553 7.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.338 -15.097 7.564 1.00 0.00 H new ATOM 454 N GLY A 29 6.287 -17.053 6.652 1.00 0.00 N ATOM 455 CA GLY A 29 6.067 -17.906 5.474 1.00 0.00 C ATOM 456 C GLY A 29 6.834 -17.388 4.260 1.00 0.00 C ATOM 457 O GLY A 29 8.037 -17.140 4.362 1.00 0.00 O ATOM 0 H GLY A 29 6.096 -16.066 6.481 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.382 -18.925 5.697 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.002 -17.944 5.244 1.00 0.00 H new ATOM 461 N ALA A 30 6.138 -17.201 3.112 1.00 0.00 N ATOM 462 CA ALA A 30 6.759 -16.725 1.854 1.00 0.00 C ATOM 463 C ALA A 30 6.841 -15.186 1.832 1.00 0.00 C ATOM 464 O ALA A 30 5.850 -14.508 2.105 1.00 0.00 O ATOM 465 CB ALA A 30 5.973 -17.252 0.638 1.00 0.00 C ATOM 0 H ALA A 30 5.136 -17.375 3.033 1.00 0.00 H new ATOM 0 HA ALA A 30 7.776 -17.114 1.801 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.440 -16.895 -0.280 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.977 -18.342 0.647 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.945 -16.893 0.686 1.00 0.00 H new ATOM 471 N GLU A 31 8.028 -14.650 1.488 1.00 0.00 N ATOM 472 CA GLU A 31 8.324 -13.200 1.561 1.00 0.00 C ATOM 473 C GLU A 31 7.541 -12.373 0.526 1.00 0.00 C ATOM 474 O GLU A 31 7.021 -11.317 0.852 1.00 0.00 O ATOM 475 CB GLU A 31 9.834 -12.947 1.360 1.00 0.00 C ATOM 476 CG GLU A 31 10.738 -13.606 2.416 1.00 0.00 C ATOM 477 CD GLU A 31 12.242 -13.467 2.119 1.00 0.00 C ATOM 478 OE1 GLU A 31 12.659 -12.435 1.552 1.00 0.00 O ATOM 479 OE2 GLU A 31 13.016 -14.393 2.448 1.00 0.00 O ATOM 0 H GLU A 31 8.812 -15.208 1.151 1.00 0.00 H new ATOM 0 HA GLU A 31 8.010 -12.877 2.554 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.123 -13.312 0.374 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.013 -11.872 1.367 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.527 -13.163 3.389 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.487 -14.664 2.486 1.00 0.00 H new ATOM 486 N ALA A 32 7.514 -12.837 -0.726 1.00 0.00 N ATOM 487 CA ALA A 32 6.906 -12.093 -1.848 1.00 0.00 C ATOM 488 C ALA A 32 5.399 -12.384 -1.981 1.00 0.00 C ATOM 489 O ALA A 32 4.567 -11.474 -1.866 1.00 0.00 O ATOM 490 CB ALA A 32 7.652 -12.407 -3.157 1.00 0.00 C ATOM 0 H ALA A 32 7.911 -13.737 -0.997 1.00 0.00 H new ATOM 0 HA ALA A 32 7.003 -11.028 -1.637 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.196 -11.853 -3.978 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.697 -12.115 -3.059 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.592 -13.476 -3.363 1.00 0.00 H new ATOM 496 N ALA A 33 5.067 -13.666 -2.174 1.00 0.00 N ATOM 497 CA ALA A 33 3.716 -14.113 -2.585 1.00 0.00 C ATOM 498 C ALA A 33 2.897 -14.683 -1.414 1.00 0.00 C ATOM 499 O ALA A 33 1.770 -15.158 -1.627 1.00 0.00 O ATOM 500 CB ALA A 33 3.862 -15.163 -3.704 1.00 0.00 C ATOM 0 H ALA A 33 5.728 -14.433 -2.050 1.00 0.00 H new ATOM 0 HA ALA A 33 3.166 -13.244 -2.947 1.00 0.00 H new ATOM 0 HB1 ALA A 33 2.874 -15.501 -4.017 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.379 -14.719 -4.554 1.00 0.00 H new ATOM 0 HB3 ALA A 33 4.436 -16.012 -3.333 1.00 0.00 H new ATOM 506 N GLY A 34 3.446 -14.605 -0.187 1.00 0.00 N ATOM 507 CA GLY A 34 2.854 -15.265 0.983 1.00 0.00 C ATOM 508 C GLY A 34 1.524 -14.677 1.434 1.00 0.00 C ATOM 509 O GLY A 34 1.185 -13.534 1.094 1.00 0.00 O ATOM 0 H GLY A 34 4.302 -14.088 0.016 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.711 -16.321 0.755 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.560 -15.210 1.811 1.00 0.00 H new ATOM 513 N ALA A 35 0.757 -15.480 2.184 1.00 0.00 N ATOM 514 CA ALA A 35 -0.458 -15.022 2.869 1.00 0.00 C ATOM 515 C ALA A 35 -0.049 -14.355 4.193 1.00 0.00 C ATOM 516 O ALA A 35 1.052 -14.597 4.692 1.00 0.00 O ATOM 517 CB ALA A 35 -1.413 -16.208 3.100 1.00 0.00 C ATOM 0 H ALA A 35 0.963 -16.468 2.333 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.990 -14.293 2.257 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.311 -15.858 3.609 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.687 -16.647 2.141 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.918 -16.960 3.714 1.00 0.00 H new ATOM 523 N ILE A 36 -0.924 -13.513 4.755 1.00 0.00 N ATOM 524 CA ILE A 36 -0.652 -12.765 5.999 1.00 0.00 C ATOM 525 C ILE A 36 -1.913 -12.814 6.865 1.00 0.00 C ATOM 526 O ILE A 36 -2.967 -12.324 6.452 1.00 0.00 O ATOM 527 CB ILE A 36 -0.278 -11.249 5.756 1.00 0.00 C ATOM 528 CG1 ILE A 36 0.887 -11.054 4.736 1.00 0.00 C ATOM 529 CG2 ILE A 36 0.052 -10.540 7.100 1.00 0.00 C ATOM 530 CD1 ILE A 36 2.207 -11.643 5.170 1.00 0.00 C ATOM 0 H ILE A 36 -1.847 -13.327 4.362 1.00 0.00 H new ATOM 0 HA ILE A 36 0.207 -13.234 6.478 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.159 -10.787 5.311 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.599 -11.503 3.785 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.021 -9.987 4.557 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.307 -9.498 6.909 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.815 -10.587 7.759 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.896 -11.038 7.576 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.957 -11.460 4.401 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.524 -11.178 6.104 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.095 -12.717 5.319 1.00 0.00 H new ATOM 542 N PHE A 37 -1.803 -13.415 8.052 1.00 0.00 N ATOM 543 CA PHE A 37 -2.907 -13.534 9.009 1.00 0.00 C ATOM 544 C PHE A 37 -2.513 -12.854 10.317 1.00 0.00 C ATOM 545 O PHE A 37 -1.641 -13.318 11.036 1.00 0.00 O ATOM 546 CB PHE A 37 -3.276 -15.022 9.238 1.00 0.00 C ATOM 547 CG PHE A 37 -4.042 -15.647 8.070 1.00 0.00 C ATOM 548 CD1 PHE A 37 -3.407 -15.938 6.864 1.00 0.00 C ATOM 549 CD2 PHE A 37 -5.403 -15.927 8.173 1.00 0.00 C ATOM 550 CE1 PHE A 37 -4.101 -16.484 5.807 1.00 0.00 C ATOM 551 CE2 PHE A 37 -6.092 -16.473 7.115 1.00 0.00 C ATOM 552 CZ PHE A 37 -5.444 -16.751 5.932 1.00 0.00 C ATOM 0 H PHE A 37 -0.935 -13.838 8.380 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.791 -13.039 8.607 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.363 -15.592 9.410 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.878 -15.104 10.143 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.352 -15.732 6.756 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.923 -15.713 9.095 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.591 -16.702 4.881 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.147 -16.685 7.213 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.990 -17.178 5.104 1.00 0.00 H new ATOM 562 N VAL A 38 -3.190 -11.751 10.623 1.00 0.00 N ATOM 563 CA VAL A 38 -2.879 -10.896 11.774 1.00 0.00 C ATOM 564 C VAL A 38 -3.984 -11.048 12.823 1.00 0.00 C ATOM 565 O VAL A 38 -5.161 -11.035 12.481 1.00 0.00 O ATOM 566 CB VAL A 38 -2.745 -9.396 11.310 1.00 0.00 C ATOM 567 CG1 VAL A 38 -2.466 -8.444 12.492 1.00 0.00 C ATOM 568 CG2 VAL A 38 -1.642 -9.263 10.236 1.00 0.00 C ATOM 0 H VAL A 38 -3.982 -11.418 10.073 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.929 -11.198 12.215 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.702 -9.102 10.878 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.381 -7.422 12.124 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.285 -8.505 13.209 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.535 -8.732 12.979 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.561 -8.221 9.925 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.689 -9.593 10.650 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.897 -9.880 9.374 1.00 0.00 H new ATOM 578 N ARG A 39 -3.602 -11.200 14.099 1.00 0.00 N ATOM 579 CA ARG A 39 -4.560 -11.277 15.212 1.00 0.00 C ATOM 580 C ARG A 39 -4.520 -9.951 15.986 1.00 0.00 C ATOM 581 O ARG A 39 -3.453 -9.527 16.440 1.00 0.00 O ATOM 582 CB ARG A 39 -4.264 -12.493 16.164 1.00 0.00 C ATOM 583 CG ARG A 39 -2.859 -12.506 16.827 1.00 0.00 C ATOM 584 CD ARG A 39 -2.809 -13.273 18.171 1.00 0.00 C ATOM 585 NE ARG A 39 -2.948 -14.737 18.030 1.00 0.00 N ATOM 586 CZ ARG A 39 -3.373 -15.569 18.996 1.00 0.00 C ATOM 587 NH1 ARG A 39 -3.904 -15.099 20.117 1.00 0.00 N ATOM 588 NH2 ARG A 39 -3.314 -16.880 18.808 1.00 0.00 N ATOM 0 H ARG A 39 -2.626 -11.273 14.388 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.558 -11.441 14.806 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.017 -12.505 16.952 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.385 -13.414 15.594 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.146 -12.956 16.136 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.537 -11.478 16.994 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.864 -13.054 18.668 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.604 -12.903 18.819 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.702 -15.148 17.129 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.995 -14.093 20.256 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.222 -15.744 20.840 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.947 -17.254 17.933 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.636 -17.515 19.539 1.00 0.00 H new ATOM 602 N GLN A 40 -5.668 -9.253 16.067 1.00 0.00 N ATOM 603 CA GLN A 40 -5.800 -8.055 16.910 1.00 0.00 C ATOM 604 C GLN A 40 -6.219 -8.471 18.312 1.00 0.00 C ATOM 605 O GLN A 40 -7.210 -9.163 18.487 1.00 0.00 O ATOM 606 CB GLN A 40 -6.803 -7.019 16.343 1.00 0.00 C ATOM 607 CG GLN A 40 -7.089 -5.847 17.306 1.00 0.00 C ATOM 608 CD GLN A 40 -7.914 -4.714 16.718 1.00 0.00 C ATOM 609 OE1 GLN A 40 -8.697 -4.893 15.801 1.00 0.00 O ATOM 610 NE2 GLN A 40 -7.779 -3.554 17.310 1.00 0.00 N ATOM 0 H GLN A 40 -6.517 -9.500 15.558 1.00 0.00 H new ATOM 0 HA GLN A 40 -4.827 -7.565 16.930 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -6.412 -6.622 15.406 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -7.740 -7.523 16.109 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -7.607 -6.236 18.182 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -6.138 -5.441 17.652 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -7.112 -3.446 18.074 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -8.341 -2.758 17.007 1.00 0.00 H new ATOM 619 N ARG A 41 -5.469 -8.009 19.299 1.00 0.00 N ATOM 620 CA ARG A 41 -5.682 -8.342 20.692 1.00 0.00 C ATOM 621 C ARG A 41 -6.286 -7.132 21.392 1.00 0.00 C ATOM 622 O ARG A 41 -5.603 -6.120 21.599 1.00 0.00 O ATOM 623 CB ARG A 41 -4.346 -8.752 21.335 1.00 0.00 C ATOM 624 CG ARG A 41 -4.487 -9.400 22.730 1.00 0.00 C ATOM 625 CD ARG A 41 -3.163 -10.018 23.222 1.00 0.00 C ATOM 626 NE ARG A 41 -3.360 -10.821 24.442 1.00 0.00 N ATOM 627 CZ ARG A 41 -3.550 -12.152 24.477 1.00 0.00 C ATOM 628 NH1 ARG A 41 -3.593 -12.876 23.357 1.00 0.00 N ATOM 629 NH2 ARG A 41 -3.709 -12.750 25.644 1.00 0.00 N ATOM 0 H ARG A 41 -4.680 -7.380 19.148 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.369 -9.183 20.786 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.836 -9.451 20.672 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.710 -7.871 21.419 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.823 -8.649 23.445 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.255 -10.172 22.694 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.740 -10.645 22.437 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.442 -9.225 23.420 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.352 -10.326 25.334 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.481 -12.421 22.451 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.738 -13.884 23.407 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.687 -12.203 26.505 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.854 -13.759 25.685 1.00 0.00 H new ATOM 643 N LEU A 42 -7.583 -7.229 21.686 1.00 0.00 N ATOM 644 CA LEU A 42 -8.314 -6.213 22.436 1.00 0.00 C ATOM 645 C LEU A 42 -8.035 -6.441 23.927 1.00 0.00 C ATOM 646 O LEU A 42 -8.230 -7.551 24.437 1.00 0.00 O ATOM 647 CB LEU A 42 -9.854 -6.282 22.150 1.00 0.00 C ATOM 648 CG LEU A 42 -10.342 -5.958 20.696 1.00 0.00 C ATOM 649 CD1 LEU A 42 -9.815 -4.594 20.218 1.00 0.00 C ATOM 650 CD2 LEU A 42 -10.009 -7.095 19.707 1.00 0.00 C ATOM 0 H LEU A 42 -8.159 -8.023 21.407 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.980 -5.222 22.129 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.197 -7.285 22.403 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.353 -5.593 22.832 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.429 -5.887 20.726 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.172 -4.400 19.206 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.174 -3.811 20.886 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.725 -4.603 20.223 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.365 -6.828 18.712 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.930 -7.247 19.677 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.496 -8.014 20.032 1.00 0.00 H new ATOM 662 N ARG A 43 -7.572 -5.391 24.615 1.00 0.00 N ATOM 663 CA ARG A 43 -7.349 -5.409 26.080 1.00 0.00 C ATOM 664 C ARG A 43 -8.655 -5.586 26.884 1.00 0.00 C ATOM 665 O ARG A 43 -8.621 -5.723 28.109 1.00 0.00 O ATOM 666 CB ARG A 43 -6.572 -4.136 26.523 1.00 0.00 C ATOM 667 CG ARG A 43 -7.057 -2.778 25.938 1.00 0.00 C ATOM 668 CD ARG A 43 -8.414 -2.282 26.469 1.00 0.00 C ATOM 669 NE ARG A 43 -8.700 -0.911 26.012 1.00 0.00 N ATOM 670 CZ ARG A 43 -9.353 -0.581 24.890 1.00 0.00 C ATOM 671 NH1 ARG A 43 -9.915 -1.500 24.112 1.00 0.00 N ATOM 672 NH2 ARG A 43 -9.465 0.688 24.556 1.00 0.00 N ATOM 0 H ARG A 43 -7.339 -4.499 24.178 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.741 -6.285 26.304 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -6.616 -4.072 27.610 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -5.524 -4.267 26.254 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -6.303 -2.020 26.150 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -7.121 -2.870 24.854 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.205 -2.952 26.133 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.413 -2.311 27.559 1.00 0.00 H new ATOM 0 HE ARG A 43 -8.372 -0.146 26.602 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.855 -2.487 24.364 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -10.406 -1.219 23.263 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.056 1.410 25.150 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.960 0.949 23.703 1.00 0.00 H new ATOM 686 N ASP A 44 -9.794 -5.547 26.175 1.00 0.00 N ATOM 687 CA ASP A 44 -11.123 -5.843 26.732 1.00 0.00 C ATOM 688 C ASP A 44 -11.213 -7.330 27.152 1.00 0.00 C ATOM 689 O ASP A 44 -11.995 -7.699 28.039 1.00 0.00 O ATOM 690 CB ASP A 44 -12.211 -5.516 25.673 1.00 0.00 C ATOM 691 CG ASP A 44 -12.061 -4.095 25.088 1.00 0.00 C ATOM 692 OD1 ASP A 44 -12.648 -3.141 25.643 1.00 0.00 O ATOM 693 OD2 ASP A 44 -11.322 -3.928 24.091 1.00 0.00 O ATOM 0 H ASP A 44 -9.818 -5.305 25.184 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.285 -5.227 27.617 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.157 -6.245 24.865 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -13.197 -5.616 26.127 1.00 0.00 H new ATOM 698 N GLY A 45 -10.385 -8.163 26.487 1.00 0.00 N ATOM 699 CA GLY A 45 -10.307 -9.605 26.730 1.00 0.00 C ATOM 700 C GLY A 45 -10.653 -10.426 25.495 1.00 0.00 C ATOM 701 O GLY A 45 -10.743 -11.653 25.568 1.00 0.00 O ATOM 0 H GLY A 45 -9.747 -7.842 25.759 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -9.300 -9.860 27.061 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.986 -9.871 27.540 1.00 0.00 H new ATOM 705 N ARG A 46 -10.826 -9.747 24.347 1.00 0.00 N ATOM 706 CA ARG A 46 -11.263 -10.378 23.084 1.00 0.00 C ATOM 707 C ARG A 46 -10.137 -10.275 22.059 1.00 0.00 C ATOM 708 O ARG A 46 -9.172 -9.532 22.266 1.00 0.00 O ATOM 709 CB ARG A 46 -12.560 -9.704 22.526 1.00 0.00 C ATOM 710 CG ARG A 46 -13.727 -9.567 23.538 1.00 0.00 C ATOM 711 CD ARG A 46 -14.113 -10.904 24.212 1.00 0.00 C ATOM 712 NE ARG A 46 -14.662 -11.902 23.269 1.00 0.00 N ATOM 713 CZ ARG A 46 -14.583 -13.237 23.427 1.00 0.00 C ATOM 714 NH1 ARG A 46 -13.832 -13.780 24.386 1.00 0.00 N ATOM 715 NH2 ARG A 46 -15.236 -14.033 22.599 1.00 0.00 N ATOM 0 H ARG A 46 -10.667 -8.743 24.266 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.494 -11.425 23.281 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.303 -8.711 22.157 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.910 -10.281 21.670 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.448 -8.847 24.308 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.599 -9.162 23.024 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -13.233 -11.323 24.701 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -14.849 -10.710 24.992 1.00 0.00 H new ATOM 0 HE ARG A 46 -15.136 -11.553 22.436 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.302 -13.181 25.019 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -13.788 -14.794 24.486 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -15.796 -13.636 21.845 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -15.180 -15.045 22.714 1.00 0.00 H new ATOM 729 N GLU A 47 -10.276 -11.013 20.951 1.00 0.00 N ATOM 730 CA GLU A 47 -9.294 -11.037 19.858 1.00 0.00 C ATOM 731 C GLU A 47 -10.008 -11.174 18.513 1.00 0.00 C ATOM 732 O GLU A 47 -11.153 -11.604 18.436 1.00 0.00 O ATOM 733 CB GLU A 47 -8.214 -12.154 20.039 1.00 0.00 C ATOM 734 CG GLU A 47 -7.261 -11.926 21.234 1.00 0.00 C ATOM 735 CD GLU A 47 -6.000 -12.804 21.212 1.00 0.00 C ATOM 736 OE1 GLU A 47 -4.978 -12.386 20.613 1.00 0.00 O ATOM 737 OE2 GLU A 47 -6.010 -13.901 21.801 1.00 0.00 O ATOM 0 H GLU A 47 -11.081 -11.617 20.786 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.758 -10.088 19.882 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.717 -13.113 20.167 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.623 -12.224 19.126 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.960 -10.878 21.249 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.805 -12.115 22.159 1.00 0.00 H new ATOM 744 N ASN A 48 -9.326 -10.716 17.465 1.00 0.00 N ATOM 745 CA ASN A 48 -9.790 -10.738 16.069 1.00 0.00 C ATOM 746 C ASN A 48 -8.735 -11.462 15.225 1.00 0.00 C ATOM 747 O ASN A 48 -7.602 -11.642 15.667 1.00 0.00 O ATOM 748 CB ASN A 48 -9.988 -9.288 15.515 1.00 0.00 C ATOM 749 CG ASN A 48 -11.218 -8.512 16.021 1.00 0.00 C ATOM 750 OD1 ASN A 48 -11.577 -8.644 17.284 1.00 0.00 O flip ATOM 751 ND2 ASN A 48 -11.822 -7.748 15.269 1.00 0.00 N flip ATOM 0 H ASN A 48 -8.399 -10.302 17.563 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.750 -11.252 16.021 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.098 -8.708 15.757 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -10.046 -9.345 14.428 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.533 -7.657 14.295 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -12.612 -7.206 15.620 1.00 0.00 H new ATOM 758 N LEU A 49 -9.107 -11.858 14.009 1.00 0.00 N ATOM 759 CA LEU A 49 -8.195 -12.478 13.039 1.00 0.00 C ATOM 760 C LEU A 49 -8.462 -11.817 11.691 1.00 0.00 C ATOM 761 O LEU A 49 -9.604 -11.477 11.378 1.00 0.00 O ATOM 762 CB LEU A 49 -8.399 -14.027 12.965 1.00 0.00 C ATOM 763 CG LEU A 49 -7.107 -14.903 12.871 1.00 0.00 C ATOM 764 CD1 LEU A 49 -7.447 -16.402 12.864 1.00 0.00 C ATOM 765 CD2 LEU A 49 -6.225 -14.531 11.660 1.00 0.00 C ATOM 0 H LEU A 49 -10.061 -11.758 13.662 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.159 -12.327 13.342 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.958 -14.339 13.847 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.023 -14.247 12.099 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.523 -14.689 13.766 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.527 -16.983 12.798 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.974 -16.660 13.783 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.081 -16.627 12.007 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.342 -15.170 11.643 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.792 -14.672 10.740 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.917 -13.488 11.741 1.00 0.00 H new ATOM 777 N TYR A 50 -7.400 -11.598 10.926 1.00 0.00 N ATOM 778 CA TYR A 50 -7.446 -10.967 9.607 1.00 0.00 C ATOM 779 C TYR A 50 -6.676 -11.837 8.619 1.00 0.00 C ATOM 780 O TYR A 50 -5.812 -12.602 9.028 1.00 0.00 O ATOM 781 CB TYR A 50 -6.850 -9.537 9.690 1.00 0.00 C ATOM 782 CG TYR A 50 -7.537 -8.695 10.766 1.00 0.00 C ATOM 783 CD1 TYR A 50 -8.849 -8.269 10.598 1.00 0.00 C ATOM 784 CD2 TYR A 50 -6.905 -8.384 11.969 1.00 0.00 C ATOM 785 CE1 TYR A 50 -9.507 -7.565 11.579 1.00 0.00 C ATOM 786 CE2 TYR A 50 -7.561 -7.672 12.948 1.00 0.00 C ATOM 787 CZ TYR A 50 -8.864 -7.265 12.747 1.00 0.00 C ATOM 788 OH TYR A 50 -9.527 -6.555 13.723 1.00 0.00 O ATOM 0 H TYR A 50 -6.456 -11.860 11.211 1.00 0.00 H new ATOM 0 HA TYR A 50 -8.476 -10.877 9.263 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.783 -9.600 9.904 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -6.952 -9.044 8.723 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -9.364 -8.496 9.676 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.888 -8.706 12.135 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -10.529 -7.250 11.427 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -7.056 -7.432 13.872 1.00 0.00 H new ATOM 0 HH TYR A 50 -8.876 -6.086 14.286 1.00 0.00 H new ATOM 798 N GLY A 51 -7.010 -11.730 7.333 1.00 0.00 N ATOM 799 CA GLY A 51 -6.341 -12.492 6.276 1.00 0.00 C ATOM 800 C GLY A 51 -6.335 -11.730 4.964 1.00 0.00 C ATOM 801 O GLY A 51 -6.967 -10.673 4.878 1.00 0.00 O ATOM 0 H GLY A 51 -7.750 -11.115 6.994 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.316 -12.711 6.576 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.845 -13.449 6.141 1.00 0.00 H new ATOM 805 N PRO A 52 -5.626 -12.228 3.906 1.00 0.00 N ATOM 806 CA PRO A 52 -5.647 -11.583 2.576 1.00 0.00 C ATOM 807 C PRO A 52 -7.037 -11.735 1.909 1.00 0.00 C ATOM 808 O PRO A 52 -7.561 -12.849 1.792 1.00 0.00 O ATOM 809 CB PRO A 52 -4.525 -12.324 1.802 1.00 0.00 C ATOM 810 CG PRO A 52 -4.433 -13.670 2.461 1.00 0.00 C ATOM 811 CD PRO A 52 -4.759 -13.439 3.923 1.00 0.00 C ATOM 0 HA PRO A 52 -5.477 -10.507 2.608 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.769 -12.417 0.744 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -3.579 -11.787 1.865 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -5.133 -14.374 2.011 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.436 -14.094 2.345 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -5.275 -14.295 4.358 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.857 -13.277 4.513 1.00 0.00 H new ATOM 819 N ALA A 53 -7.632 -10.593 1.517 1.00 0.00 N ATOM 820 CA ALA A 53 -8.967 -10.542 0.884 1.00 0.00 C ATOM 821 C ALA A 53 -8.944 -11.153 -0.537 1.00 0.00 C ATOM 822 O ALA A 53 -7.860 -11.275 -1.135 1.00 0.00 O ATOM 823 CB ALA A 53 -9.464 -9.083 0.839 1.00 0.00 C ATOM 0 H ALA A 53 -7.200 -9.676 1.630 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.654 -11.138 1.484 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.448 -9.048 0.372 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -9.530 -8.690 1.853 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.766 -8.479 0.260 1.00 0.00 H new ATOM 1022 N GLU A 67 -1.873 -3.248 -4.471 1.00 0.00 N ATOM 1023 CA GLU A 67 -2.086 -3.346 -3.028 1.00 0.00 C ATOM 1024 C GLU A 67 -3.302 -4.258 -2.754 1.00 0.00 C ATOM 1025 O GLU A 67 -4.466 -3.829 -2.871 1.00 0.00 O ATOM 1026 CB GLU A 67 -2.303 -1.947 -2.397 1.00 0.00 C ATOM 1027 CG GLU A 67 -2.447 -1.972 -0.859 1.00 0.00 C ATOM 1028 CD GLU A 67 -2.925 -0.638 -0.278 1.00 0.00 C ATOM 1029 OE1 GLU A 67 -4.147 -0.389 -0.273 1.00 0.00 O ATOM 1030 OE2 GLU A 67 -2.091 0.168 0.174 1.00 0.00 O ATOM 0 HA GLU A 67 -1.196 -3.778 -2.570 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.464 -1.304 -2.664 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.198 -1.499 -2.829 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.150 -2.756 -0.579 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.486 -2.232 -0.414 1.00 0.00 H new ATOM 1037 N ARG A 68 -3.005 -5.534 -2.493 1.00 0.00 N ATOM 1038 CA ARG A 68 -3.983 -6.520 -2.019 1.00 0.00 C ATOM 1039 C ARG A 68 -4.439 -6.150 -0.586 1.00 0.00 C ATOM 1040 O ARG A 68 -3.638 -6.171 0.361 1.00 0.00 O ATOM 1041 CB ARG A 68 -3.367 -7.957 -2.089 1.00 0.00 C ATOM 1042 CG ARG A 68 -1.948 -8.083 -1.482 1.00 0.00 C ATOM 1043 CD ARG A 68 -1.319 -9.470 -1.691 1.00 0.00 C ATOM 1044 NE ARG A 68 0.119 -9.466 -1.368 1.00 0.00 N ATOM 1045 CZ ARG A 68 0.857 -10.545 -1.089 1.00 0.00 C ATOM 1046 NH1 ARG A 68 0.302 -11.753 -0.986 1.00 0.00 N ATOM 1047 NH2 ARG A 68 2.157 -10.400 -0.910 1.00 0.00 N ATOM 0 H ARG A 68 -2.067 -5.917 -2.606 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.864 -6.512 -2.661 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.032 -8.648 -1.571 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -3.330 -8.271 -3.132 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.301 -7.327 -1.928 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.997 -7.871 -0.414 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.831 -10.201 -1.065 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.460 -9.782 -2.726 1.00 0.00 H new ATOM 0 HE ARG A 68 0.592 -8.562 -1.356 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -0.703 -11.866 -1.121 1.00 0.00 H new ATOM 0 HH12 ARG A 68 0.882 -12.564 -0.772 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.582 -9.476 -0.985 1.00 0.00 H new ATOM 0 HH22 ARG A 68 2.736 -11.212 -0.696 1.00 0.00 H new ATOM 1061 N ARG A 69 -5.719 -5.752 -0.457 1.00 0.00 N ATOM 1062 CA ARG A 69 -6.327 -5.373 0.818 1.00 0.00 C ATOM 1063 C ARG A 69 -6.622 -6.638 1.645 1.00 0.00 C ATOM 1064 O ARG A 69 -6.593 -7.760 1.125 1.00 0.00 O ATOM 1065 CB ARG A 69 -7.614 -4.545 0.531 1.00 0.00 C ATOM 1066 CG ARG A 69 -8.294 -3.904 1.761 1.00 0.00 C ATOM 1067 CD ARG A 69 -9.412 -2.921 1.375 1.00 0.00 C ATOM 1068 NE ARG A 69 -8.885 -1.805 0.568 1.00 0.00 N ATOM 1069 CZ ARG A 69 -9.472 -1.273 -0.513 1.00 0.00 C ATOM 1070 NH1 ARG A 69 -10.651 -1.708 -0.930 1.00 0.00 N ATOM 1071 NH2 ARG A 69 -8.872 -0.292 -1.164 1.00 0.00 N ATOM 0 H ARG A 69 -6.361 -5.686 -1.247 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.647 -4.754 1.404 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.363 -3.753 -0.175 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -8.337 -5.194 0.038 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -8.709 -4.690 2.393 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -7.544 -3.381 2.354 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -10.184 -3.447 0.813 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -9.884 -2.530 2.277 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.994 -1.402 0.858 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -11.125 -2.458 -0.427 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -11.085 -1.293 -1.754 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -7.968 0.055 -0.843 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -9.313 0.118 -1.988 1.00 0.00 H new ATOM 1085 N PHE A 70 -6.865 -6.449 2.941 1.00 0.00 N ATOM 1086 CA PHE A 70 -7.133 -7.536 3.886 1.00 0.00 C ATOM 1087 C PHE A 70 -8.623 -7.640 4.169 1.00 0.00 C ATOM 1088 O PHE A 70 -9.416 -6.889 3.619 1.00 0.00 O ATOM 1089 CB PHE A 70 -6.308 -7.316 5.183 1.00 0.00 C ATOM 1090 CG PHE A 70 -4.850 -7.725 5.054 1.00 0.00 C ATOM 1091 CD1 PHE A 70 -4.067 -7.264 3.995 1.00 0.00 C ATOM 1092 CD2 PHE A 70 -4.269 -8.592 5.973 1.00 0.00 C ATOM 1093 CE1 PHE A 70 -2.759 -7.660 3.856 1.00 0.00 C ATOM 1094 CE2 PHE A 70 -2.962 -8.978 5.838 1.00 0.00 C ATOM 1095 CZ PHE A 70 -2.207 -8.515 4.778 1.00 0.00 C ATOM 0 H PHE A 70 -6.882 -5.525 3.372 1.00 0.00 H new ATOM 0 HA PHE A 70 -6.823 -8.485 3.448 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.358 -6.263 5.461 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.765 -7.882 5.995 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.496 -6.585 3.273 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.854 -8.964 6.801 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.168 -7.301 3.026 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -2.520 -9.646 6.562 1.00 0.00 H new ATOM 0 HZ PHE A 70 -1.178 -8.827 4.674 1.00 0.00 H new ATOM 1105 N GLU A 71 -8.982 -8.635 4.975 1.00 0.00 N ATOM 1106 CA GLU A 71 -10.355 -8.900 5.415 1.00 0.00 C ATOM 1107 C GLU A 71 -10.328 -9.372 6.871 1.00 0.00 C ATOM 1108 O GLU A 71 -9.262 -9.676 7.404 1.00 0.00 O ATOM 1109 CB GLU A 71 -11.010 -9.982 4.534 1.00 0.00 C ATOM 1110 CG GLU A 71 -10.341 -11.374 4.615 1.00 0.00 C ATOM 1111 CD GLU A 71 -11.226 -12.476 4.033 1.00 0.00 C ATOM 1112 OE1 GLU A 71 -11.301 -12.584 2.805 1.00 0.00 O ATOM 1113 OE2 GLU A 71 -11.874 -13.216 4.812 1.00 0.00 O ATOM 0 H GLU A 71 -8.308 -9.301 5.353 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.939 -7.984 5.327 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.057 -10.080 4.821 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.994 -9.646 3.497 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.393 -11.351 4.078 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.113 -11.605 5.655 1.00 0.00 H new ATOM 1120 N THR A 72 -11.503 -9.449 7.498 1.00 0.00 N ATOM 1121 CA THR A 72 -11.637 -9.916 8.879 1.00 0.00 C ATOM 1122 C THR A 72 -12.040 -11.408 8.872 1.00 0.00 C ATOM 1123 O THR A 72 -13.160 -11.737 8.475 1.00 0.00 O ATOM 1124 CB THR A 72 -12.702 -9.057 9.639 1.00 0.00 C ATOM 1125 OG1 THR A 72 -12.461 -7.657 9.403 1.00 0.00 O ATOM 1126 CG2 THR A 72 -12.696 -9.314 11.151 1.00 0.00 C ATOM 0 H THR A 72 -12.388 -9.189 7.063 1.00 0.00 H new ATOM 0 HA THR A 72 -10.684 -9.807 9.397 1.00 0.00 H new ATOM 0 HB THR A 72 -13.678 -9.350 9.253 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.292 -7.206 10.256 1.00 0.00 H new ATOM 0 HG21 THR A 72 -13.453 -8.693 11.629 1.00 0.00 H new ATOM 0 HG22 THR A 72 -12.915 -10.364 11.342 1.00 0.00 H new ATOM 0 HG23 THR A 72 -11.715 -9.068 11.558 1.00 0.00 H new ATOM 1134 N ARG A 73 -11.106 -12.309 9.255 1.00 0.00 N ATOM 1135 CA ARG A 73 -11.400 -13.747 9.414 1.00 0.00 C ATOM 1136 C ARG A 73 -12.335 -13.962 10.622 1.00 0.00 C ATOM 1137 O ARG A 73 -13.426 -14.519 10.484 1.00 0.00 O ATOM 1138 CB ARG A 73 -10.082 -14.570 9.583 1.00 0.00 C ATOM 1139 CG ARG A 73 -9.287 -14.837 8.282 1.00 0.00 C ATOM 1140 CD ARG A 73 -10.098 -15.648 7.247 1.00 0.00 C ATOM 1141 NE ARG A 73 -9.235 -16.373 6.292 1.00 0.00 N ATOM 1142 CZ ARG A 73 -9.332 -16.343 4.956 1.00 0.00 C ATOM 1143 NH1 ARG A 73 -10.197 -15.549 4.338 1.00 0.00 N ATOM 1144 NH2 ARG A 73 -8.549 -17.124 4.240 1.00 0.00 N ATOM 0 H ARG A 73 -10.138 -12.061 9.460 1.00 0.00 H new ATOM 0 HA ARG A 73 -11.902 -14.101 8.513 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -9.433 -14.043 10.282 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -10.330 -15.529 10.039 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -8.989 -13.886 7.841 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -8.371 -15.376 8.524 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.736 -16.361 7.769 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -10.756 -14.975 6.698 1.00 0.00 H new ATOM 0 HE ARG A 73 -8.494 -16.952 6.688 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -10.810 -14.941 4.882 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -10.249 -15.547 3.319 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -7.881 -17.740 4.704 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -8.611 -17.113 3.222 1.00 0.00 H new ATOM 1158 N LEU A 74 -11.881 -13.512 11.808 1.00 0.00 N ATOM 1159 CA LEU A 74 -12.643 -13.619 13.072 1.00 0.00 C ATOM 1160 C LEU A 74 -12.755 -12.233 13.731 1.00 0.00 C ATOM 1161 O LEU A 74 -11.934 -11.357 13.466 1.00 0.00 O ATOM 1162 CB LEU A 74 -11.925 -14.606 14.029 1.00 0.00 C ATOM 1163 CG LEU A 74 -11.721 -16.065 13.501 1.00 0.00 C ATOM 1164 CD1 LEU A 74 -10.816 -16.872 14.447 1.00 0.00 C ATOM 1165 CD2 LEU A 74 -13.072 -16.784 13.284 1.00 0.00 C ATOM 0 H LEU A 74 -10.972 -13.062 11.919 1.00 0.00 H new ATOM 0 HA LEU A 74 -13.645 -13.992 12.860 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.947 -14.192 14.275 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -12.493 -14.655 14.958 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.225 -15.996 12.533 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.691 -17.882 14.057 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -9.842 -16.388 14.520 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -11.273 -16.919 15.435 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -12.892 -17.794 12.917 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -13.614 -16.832 14.228 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -13.664 -16.233 12.553 1.00 0.00 H new ATOM 1177 N ALA A 75 -13.757 -12.052 14.612 1.00 0.00 N ATOM 1178 CA ALA A 75 -13.954 -10.792 15.352 1.00 0.00 C ATOM 1179 C ALA A 75 -14.688 -11.036 16.679 1.00 0.00 C ATOM 1180 O ALA A 75 -15.724 -11.715 16.702 1.00 0.00 O ATOM 1181 CB ALA A 75 -14.715 -9.766 14.498 1.00 0.00 C ATOM 0 H ALA A 75 -14.448 -12.770 14.830 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.968 -10.386 15.579 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -14.847 -8.846 15.067 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -14.147 -9.554 13.592 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -15.691 -10.169 14.229 1.00 0.00 H new ATOM 1187 N GLY A 76 -14.134 -10.466 17.774 1.00 0.00 N ATOM 1188 CA GLY A 76 -14.711 -10.582 19.123 1.00 0.00 C ATOM 1189 C GLY A 76 -14.723 -12.016 19.638 1.00 0.00 C ATOM 1190 O GLY A 76 -15.651 -12.436 20.337 1.00 0.00 O ATOM 0 H GLY A 76 -13.276 -9.915 17.742 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -14.142 -9.958 19.812 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -15.730 -10.196 19.112 1.00 0.00 H new ATOM 1194 N VAL A 77 -13.669 -12.758 19.275 1.00 0.00 N ATOM 1195 CA VAL A 77 -13.471 -14.168 19.644 1.00 0.00 C ATOM 1196 C VAL A 77 -12.327 -14.279 20.680 1.00 0.00 C ATOM 1197 O VAL A 77 -11.935 -13.272 21.267 1.00 0.00 O ATOM 1198 CB VAL A 77 -13.174 -15.038 18.362 1.00 0.00 C ATOM 1199 CG1 VAL A 77 -14.344 -14.959 17.348 1.00 0.00 C ATOM 1200 CG2 VAL A 77 -11.832 -14.642 17.698 1.00 0.00 C ATOM 0 H VAL A 77 -12.911 -12.387 18.702 1.00 0.00 H new ATOM 0 HA VAL A 77 -14.384 -14.554 20.098 1.00 0.00 H new ATOM 0 HB VAL A 77 -13.082 -16.074 18.688 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -14.111 -15.568 16.475 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -15.256 -15.329 17.816 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -14.489 -13.924 17.039 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -11.664 -15.264 16.819 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -11.869 -13.594 17.400 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -11.018 -14.789 18.408 1.00 0.00 H new ATOM 1210 N GLU A 78 -11.826 -15.504 20.943 1.00 0.00 N ATOM 1211 CA GLU A 78 -10.688 -15.727 21.868 1.00 0.00 C ATOM 1212 C GLU A 78 -9.470 -16.288 21.107 1.00 0.00 C ATOM 1213 O GLU A 78 -9.570 -16.622 19.918 1.00 0.00 O ATOM 1214 CB GLU A 78 -11.105 -16.684 23.018 1.00 0.00 C ATOM 1215 CG GLU A 78 -11.452 -18.115 22.574 1.00 0.00 C ATOM 1216 CD GLU A 78 -11.890 -19.002 23.746 1.00 0.00 C ATOM 1217 OE1 GLU A 78 -13.064 -18.914 24.154 1.00 0.00 O ATOM 1218 OE2 GLU A 78 -11.058 -19.750 24.297 1.00 0.00 O ATOM 0 H GLU A 78 -12.192 -16.360 20.527 1.00 0.00 H new ATOM 0 HA GLU A 78 -10.404 -14.769 22.303 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.294 -16.731 23.745 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -11.968 -16.259 23.531 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -12.249 -18.079 21.832 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -10.585 -18.562 22.088 1.00 0.00 H new ATOM 1225 N GLY A 79 -8.337 -16.410 21.826 1.00 0.00 N ATOM 1226 CA GLY A 79 -7.071 -16.904 21.269 1.00 0.00 C ATOM 1227 C GLY A 79 -7.113 -18.345 20.778 1.00 0.00 C ATOM 1228 O GLY A 79 -6.346 -18.717 19.876 1.00 0.00 O ATOM 0 H GLY A 79 -8.278 -16.166 22.815 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.778 -16.260 20.440 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.296 -16.816 22.030 1.00 0.00 H new ATOM 1232 N GLU A 80 -8.001 -19.161 21.383 1.00 0.00 N ATOM 1233 CA GLU A 80 -8.226 -20.554 20.950 1.00 0.00 C ATOM 1234 C GLU A 80 -8.811 -20.564 19.532 1.00 0.00 C ATOM 1235 O GLU A 80 -8.349 -21.314 18.676 1.00 0.00 O ATOM 1236 CB GLU A 80 -9.181 -21.308 21.913 1.00 0.00 C ATOM 1237 CG GLU A 80 -9.390 -22.800 21.558 1.00 0.00 C ATOM 1238 CD GLU A 80 -10.460 -23.501 22.410 1.00 0.00 C ATOM 1239 OE1 GLU A 80 -10.179 -23.846 23.577 1.00 0.00 O ATOM 1240 OE2 GLU A 80 -11.580 -23.731 21.906 1.00 0.00 O ATOM 0 H GLU A 80 -8.576 -18.876 22.176 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.265 -21.068 20.962 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.786 -21.239 22.927 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.149 -20.807 21.913 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.669 -22.877 20.507 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.443 -23.327 21.676 1.00 0.00 H new ATOM 1247 N GLU A 81 -9.825 -19.696 19.310 1.00 0.00 N ATOM 1248 CA GLU A 81 -10.478 -19.533 17.994 1.00 0.00 C ATOM 1249 C GLU A 81 -9.464 -19.086 16.925 1.00 0.00 C ATOM 1250 O GLU A 81 -9.495 -19.573 15.781 1.00 0.00 O ATOM 1251 CB GLU A 81 -11.637 -18.506 18.083 1.00 0.00 C ATOM 1252 CG GLU A 81 -12.791 -18.904 19.025 1.00 0.00 C ATOM 1253 CD GLU A 81 -13.554 -20.161 18.572 1.00 0.00 C ATOM 1254 OE1 GLU A 81 -14.267 -20.095 17.549 1.00 0.00 O ATOM 1255 OE2 GLU A 81 -13.445 -21.217 19.227 1.00 0.00 O ATOM 0 H GLU A 81 -10.211 -19.092 20.036 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.884 -20.502 17.703 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -11.231 -17.550 18.415 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -12.042 -18.350 17.083 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -12.390 -19.074 20.024 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -13.491 -18.072 19.099 1.00 0.00 H new ATOM 1262 N ILE A 82 -8.561 -18.161 17.319 1.00 0.00 N ATOM 1263 CA ILE A 82 -7.513 -17.633 16.431 1.00 0.00 C ATOM 1264 C ILE A 82 -6.606 -18.782 15.952 1.00 0.00 C ATOM 1265 O ILE A 82 -6.502 -19.047 14.752 1.00 0.00 O ATOM 1266 CB ILE A 82 -6.631 -16.532 17.139 1.00 0.00 C ATOM 1267 CG1 ILE A 82 -7.498 -15.371 17.726 1.00 0.00 C ATOM 1268 CG2 ILE A 82 -5.557 -15.976 16.173 1.00 0.00 C ATOM 1269 CD1 ILE A 82 -8.374 -14.653 16.722 1.00 0.00 C ATOM 0 H ILE A 82 -8.542 -17.764 18.258 1.00 0.00 H new ATOM 0 HA ILE A 82 -8.012 -17.166 15.582 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.128 -17.017 17.975 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -8.132 -15.775 18.515 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -6.834 -14.643 18.192 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.963 -15.219 16.686 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.907 -16.787 15.846 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.044 -15.529 15.306 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -8.935 -13.866 17.226 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.750 -14.213 15.944 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -9.068 -15.363 16.272 1.00 0.00 H new ATOM 1281 N ALA A 83 -6.022 -19.496 16.926 1.00 0.00 N ATOM 1282 CA ALA A 83 -5.076 -20.597 16.677 1.00 0.00 C ATOM 1283 C ALA A 83 -5.766 -21.778 15.966 1.00 0.00 C ATOM 1284 O ALA A 83 -5.125 -22.508 15.207 1.00 0.00 O ATOM 1285 CB ALA A 83 -4.438 -21.044 18.003 1.00 0.00 C ATOM 0 H ALA A 83 -6.194 -19.325 17.917 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.290 -20.237 16.013 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.739 -21.859 17.814 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.905 -20.205 18.451 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.217 -21.385 18.685 1.00 0.00 H new ATOM 1291 N ALA A 84 -7.085 -21.931 16.209 1.00 0.00 N ATOM 1292 CA ALA A 84 -7.907 -22.996 15.602 1.00 0.00 C ATOM 1293 C ALA A 84 -8.055 -22.791 14.088 1.00 0.00 C ATOM 1294 O ALA A 84 -8.100 -23.766 13.335 1.00 0.00 O ATOM 1295 CB ALA A 84 -9.289 -23.067 16.265 1.00 0.00 C ATOM 0 H ALA A 84 -7.609 -21.318 16.833 1.00 0.00 H new ATOM 0 HA ALA A 84 -7.392 -23.942 15.769 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.875 -23.859 15.800 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -9.172 -23.278 17.328 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.803 -22.114 16.139 1.00 0.00 H new ATOM 1301 N LEU A 85 -8.148 -21.518 13.644 1.00 0.00 N ATOM 1302 CA LEU A 85 -8.207 -21.198 12.209 1.00 0.00 C ATOM 1303 C LEU A 85 -6.803 -21.197 11.589 1.00 0.00 C ATOM 1304 O LEU A 85 -6.626 -21.649 10.460 1.00 0.00 O ATOM 1305 CB LEU A 85 -8.888 -19.846 11.915 1.00 0.00 C ATOM 1306 CG LEU A 85 -9.099 -19.570 10.373 1.00 0.00 C ATOM 1307 CD1 LEU A 85 -10.580 -19.490 10.007 1.00 0.00 C ATOM 1308 CD2 LEU A 85 -8.278 -18.361 9.870 1.00 0.00 C ATOM 0 H LEU A 85 -8.183 -20.704 14.257 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.816 -21.981 11.757 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.855 -19.818 12.417 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.285 -19.044 12.341 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.701 -20.432 9.837 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -10.681 -19.299 8.939 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -11.067 -20.433 10.255 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -11.050 -18.681 10.566 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -8.460 -18.216 8.805 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -8.578 -17.466 10.415 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.217 -18.548 10.035 1.00 0.00 H new ATOM 1320 N LEU A 86 -5.810 -20.668 12.335 1.00 0.00 N ATOM 1321 CA LEU A 86 -4.388 -20.672 11.908 1.00 0.00 C ATOM 1322 C LEU A 86 -3.909 -22.115 11.660 1.00 0.00 C ATOM 1323 O LEU A 86 -3.041 -22.353 10.836 1.00 0.00 O ATOM 1324 CB LEU A 86 -3.484 -19.971 12.961 1.00 0.00 C ATOM 1325 CG LEU A 86 -3.768 -18.453 13.202 1.00 0.00 C ATOM 1326 CD1 LEU A 86 -2.839 -17.876 14.293 1.00 0.00 C ATOM 1327 CD2 LEU A 86 -3.680 -17.647 11.886 1.00 0.00 C ATOM 0 H LEU A 86 -5.965 -20.229 13.243 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.312 -20.112 10.976 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.591 -20.496 13.910 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.445 -20.082 12.651 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.791 -18.360 13.567 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.061 -16.819 14.438 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.000 -18.412 15.228 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.800 -17.990 13.984 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.883 -16.595 12.089 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.681 -17.749 11.463 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.415 -18.028 11.176 1.00 0.00 H new ATOM 1339 N GLU A 87 -4.540 -23.051 12.387 1.00 0.00 N ATOM 1340 CA GLU A 87 -4.368 -24.493 12.249 1.00 0.00 C ATOM 1341 C GLU A 87 -4.889 -24.986 10.877 1.00 0.00 C ATOM 1342 O GLU A 87 -4.241 -25.805 10.208 1.00 0.00 O ATOM 1343 CB GLU A 87 -5.142 -25.160 13.416 1.00 0.00 C ATOM 1344 CG GLU A 87 -5.315 -26.668 13.319 1.00 0.00 C ATOM 1345 CD GLU A 87 -3.991 -27.449 13.387 1.00 0.00 C ATOM 1346 OE1 GLU A 87 -3.229 -27.275 14.364 1.00 0.00 O ATOM 1347 OE2 GLU A 87 -3.701 -28.238 12.467 1.00 0.00 O ATOM 0 H GLU A 87 -5.210 -22.806 13.116 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.312 -24.759 12.292 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.624 -24.932 14.348 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -6.130 -24.703 13.480 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.966 -27.003 14.127 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.820 -26.907 12.383 1.00 0.00 H new ATOM 1354 N ARG A 88 -6.060 -24.475 10.469 1.00 0.00 N ATOM 1355 CA ARG A 88 -6.716 -24.873 9.210 1.00 0.00 C ATOM 1356 C ARG A 88 -5.932 -24.308 8.006 1.00 0.00 C ATOM 1357 O ARG A 88 -5.594 -25.039 7.077 1.00 0.00 O ATOM 1358 CB ARG A 88 -8.181 -24.360 9.206 1.00 0.00 C ATOM 1359 CG ARG A 88 -9.010 -24.836 10.423 1.00 0.00 C ATOM 1360 CD ARG A 88 -10.350 -24.091 10.568 1.00 0.00 C ATOM 1361 NE ARG A 88 -11.304 -24.420 9.494 1.00 0.00 N ATOM 1362 CZ ARG A 88 -12.376 -23.684 9.156 1.00 0.00 C ATOM 1363 NH1 ARG A 88 -12.597 -22.502 9.734 1.00 0.00 N ATOM 1364 NH2 ARG A 88 -13.195 -24.121 8.215 1.00 0.00 N ATOM 0 H ARG A 88 -6.580 -23.776 10.999 1.00 0.00 H new ATOM 0 HA ARG A 88 -6.726 -25.960 9.130 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -8.175 -23.270 9.186 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -8.671 -24.693 8.291 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -9.203 -25.905 10.328 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -8.424 -24.698 11.331 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -10.795 -24.338 11.532 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -10.165 -23.017 10.568 1.00 0.00 H new ATOM 0 HE ARG A 88 -11.137 -25.276 8.964 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -11.949 -22.150 10.439 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -13.414 -21.950 9.471 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -13.011 -25.011 7.752 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -14.011 -23.568 7.952 1.00 0.00 H new ATOM 1378 N GLU A 89 -5.601 -23.011 8.091 1.00 0.00 N ATOM 1379 CA GLU A 89 -4.925 -22.259 7.016 1.00 0.00 C ATOM 1380 C GLU A 89 -3.481 -22.736 6.815 1.00 0.00 C ATOM 1381 O GLU A 89 -3.015 -22.812 5.682 1.00 0.00 O ATOM 1382 CB GLU A 89 -4.975 -20.737 7.311 1.00 0.00 C ATOM 1383 CG GLU A 89 -6.404 -20.168 7.405 1.00 0.00 C ATOM 1384 CD GLU A 89 -7.232 -20.333 6.112 1.00 0.00 C ATOM 1385 OE1 GLU A 89 -7.168 -19.450 5.239 1.00 0.00 O ATOM 1386 OE2 GLU A 89 -7.939 -21.358 5.957 1.00 0.00 O ATOM 0 H GLU A 89 -5.796 -22.445 8.917 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.458 -22.449 6.085 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.454 -20.541 8.248 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -4.434 -20.207 6.528 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.927 -20.661 8.225 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.347 -19.109 7.655 1.00 0.00 H new ATOM 1393 N ARG A 90 -2.786 -23.065 7.924 1.00 0.00 N ATOM 1394 CA ARG A 90 -1.401 -23.616 7.853 1.00 0.00 C ATOM 1395 C ARG A 90 -1.381 -24.981 7.142 1.00 0.00 C ATOM 1396 O ARG A 90 -0.433 -25.297 6.419 1.00 0.00 O ATOM 1397 CB ARG A 90 -0.722 -23.754 9.255 1.00 0.00 C ATOM 1398 CG ARG A 90 -1.215 -24.954 10.099 1.00 0.00 C ATOM 1399 CD ARG A 90 -0.478 -25.134 11.428 1.00 0.00 C ATOM 1400 NE ARG A 90 -0.944 -26.353 12.134 1.00 0.00 N ATOM 1401 CZ ARG A 90 -0.197 -27.440 12.398 1.00 0.00 C ATOM 1402 NH1 ARG A 90 1.093 -27.485 12.073 1.00 0.00 N ATOM 1403 NH2 ARG A 90 -0.750 -28.486 12.995 1.00 0.00 N ATOM 0 H ARG A 90 -3.149 -22.963 8.872 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.826 -22.892 7.276 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.355 -23.845 9.114 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.894 -22.837 9.818 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.279 -24.829 10.301 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -1.107 -25.865 9.511 1.00 0.00 H new ATOM 0 HD2 ARG A 90 0.595 -25.202 11.247 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -0.640 -24.260 12.059 1.00 0.00 H new ATOM 0 HE ARG A 90 -1.915 -26.368 12.446 1.00 0.00 H new ATOM 0 HH11 ARG A 90 1.532 -26.686 11.615 1.00 0.00 H new ATOM 0 HH12 ARG A 90 1.643 -28.318 12.282 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -1.737 -28.464 13.252 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -0.189 -29.313 13.198 1.00 0.00 H new ATOM 1417 N ARG A 91 -2.448 -25.777 7.365 1.00 0.00 N ATOM 1418 CA ARG A 91 -2.556 -27.154 6.848 1.00 0.00 C ATOM 1419 C ARG A 91 -2.526 -27.149 5.312 1.00 0.00 C ATOM 1420 O ARG A 91 -1.761 -27.895 4.689 1.00 0.00 O ATOM 1421 CB ARG A 91 -3.865 -27.816 7.350 1.00 0.00 C ATOM 1422 CG ARG A 91 -4.070 -29.273 6.870 1.00 0.00 C ATOM 1423 CD ARG A 91 -5.479 -29.816 7.158 1.00 0.00 C ATOM 1424 NE ARG A 91 -5.704 -31.112 6.477 1.00 0.00 N ATOM 1425 CZ ARG A 91 -6.722 -31.381 5.642 1.00 0.00 C ATOM 1426 NH1 ARG A 91 -7.690 -30.500 5.449 1.00 0.00 N ATOM 1427 NH2 ARG A 91 -6.776 -32.545 5.017 1.00 0.00 N ATOM 0 H ARG A 91 -3.258 -25.481 7.909 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.707 -27.730 7.216 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.870 -27.801 8.440 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -4.712 -27.215 7.019 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -3.880 -29.325 5.798 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.335 -29.915 7.355 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.611 -29.939 8.233 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -6.225 -29.094 6.826 1.00 0.00 H new ATOM 0 HE ARG A 91 -5.033 -31.859 6.656 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -7.669 -29.604 5.937 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.457 -30.716 4.813 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -6.045 -33.240 5.168 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -7.549 -32.748 4.383 1.00 0.00 H new ATOM 1441 N PHE A 92 -3.359 -26.275 4.730 1.00 0.00 N ATOM 1442 CA PHE A 92 -3.469 -26.113 3.279 1.00 0.00 C ATOM 1443 C PHE A 92 -2.262 -25.331 2.730 1.00 0.00 C ATOM 1444 O PHE A 92 -1.639 -25.739 1.738 1.00 0.00 O ATOM 1445 CB PHE A 92 -4.804 -25.401 2.938 1.00 0.00 C ATOM 1446 CG PHE A 92 -6.047 -26.219 3.294 1.00 0.00 C ATOM 1447 CD1 PHE A 92 -6.448 -27.292 2.496 1.00 0.00 C ATOM 1448 CD2 PHE A 92 -6.804 -25.926 4.426 1.00 0.00 C ATOM 1449 CE1 PHE A 92 -7.564 -28.041 2.823 1.00 0.00 C ATOM 1450 CE2 PHE A 92 -7.920 -26.674 4.751 1.00 0.00 C ATOM 1451 CZ PHE A 92 -8.300 -27.732 3.951 1.00 0.00 C ATOM 0 H PHE A 92 -3.977 -25.659 5.258 1.00 0.00 H new ATOM 0 HA PHE A 92 -3.467 -27.094 2.804 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.843 -24.449 3.467 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.822 -25.174 1.872 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.880 -27.540 1.612 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -6.514 -25.101 5.060 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -7.861 -28.869 2.196 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.495 -26.430 5.632 1.00 0.00 H new ATOM 0 HZ PHE A 92 -9.171 -28.318 4.206 1.00 0.00 H new ATOM 1461 N ASP A 93 -1.919 -24.223 3.411 1.00 0.00 N ATOM 1462 CA ASP A 93 -0.897 -23.261 2.950 1.00 0.00 C ATOM 1463 C ASP A 93 -0.150 -22.646 4.152 1.00 0.00 C ATOM 1464 O ASP A 93 -0.588 -21.645 4.715 1.00 0.00 O ATOM 1465 CB ASP A 93 -1.552 -22.141 2.085 1.00 0.00 C ATOM 1466 CG ASP A 93 -1.962 -22.595 0.671 1.00 0.00 C ATOM 1467 OD1 ASP A 93 -1.070 -22.980 -0.117 1.00 0.00 O ATOM 1468 OD2 ASP A 93 -3.167 -22.553 0.334 1.00 0.00 O ATOM 0 H ASP A 93 -2.344 -23.967 4.302 1.00 0.00 H new ATOM 0 HA ASP A 93 -0.175 -23.796 2.333 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -2.434 -21.765 2.604 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -0.854 -21.308 1.999 1.00 0.00 H new ATOM 1473 N SER A 94 0.986 -23.261 4.525 1.00 0.00 N ATOM 1474 CA SER A 94 1.836 -22.822 5.656 1.00 0.00 C ATOM 1475 C SER A 94 2.657 -21.546 5.308 1.00 0.00 C ATOM 1476 O SER A 94 3.396 -21.029 6.157 1.00 0.00 O ATOM 1477 CB SER A 94 2.771 -23.983 6.090 1.00 0.00 C ATOM 1478 OG SER A 94 3.486 -23.670 7.284 1.00 0.00 O ATOM 0 H SER A 94 1.347 -24.086 4.047 1.00 0.00 H new ATOM 0 HA SER A 94 1.183 -22.558 6.488 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.181 -24.886 6.246 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.478 -24.199 5.289 1.00 0.00 H new ATOM 0 HG SER A 94 4.063 -24.424 7.527 1.00 0.00 H new ATOM 1484 N ASP A 95 2.522 -21.033 4.058 1.00 0.00 N ATOM 1485 CA ASP A 95 3.210 -19.796 3.606 1.00 0.00 C ATOM 1486 C ASP A 95 2.609 -18.525 4.240 1.00 0.00 C ATOM 1487 O ASP A 95 3.098 -17.414 3.970 1.00 0.00 O ATOM 1488 CB ASP A 95 3.189 -19.676 2.053 1.00 0.00 C ATOM 1489 CG ASP A 95 1.787 -19.416 1.474 1.00 0.00 C ATOM 1490 OD1 ASP A 95 1.043 -20.378 1.270 1.00 0.00 O ATOM 1491 OD2 ASP A 95 1.427 -18.249 1.227 1.00 0.00 O ATOM 0 H ASP A 95 1.938 -21.461 3.340 1.00 0.00 H new ATOM 0 HA ASP A 95 4.244 -19.878 3.942 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.854 -18.867 1.750 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.587 -20.594 1.621 1.00 0.00 H new ATOM 1496 N LEU A 96 1.545 -18.680 5.064 1.00 0.00 N ATOM 1497 CA LEU A 96 0.988 -17.551 5.819 1.00 0.00 C ATOM 1498 C LEU A 96 1.973 -17.090 6.907 1.00 0.00 C ATOM 1499 O LEU A 96 2.771 -17.881 7.431 1.00 0.00 O ATOM 1500 CB LEU A 96 -0.403 -17.842 6.465 1.00 0.00 C ATOM 1501 CG LEU A 96 -0.438 -18.735 7.754 1.00 0.00 C ATOM 1502 CD1 LEU A 96 -1.721 -18.502 8.573 1.00 0.00 C ATOM 1503 CD2 LEU A 96 -0.292 -20.220 7.418 1.00 0.00 C ATOM 0 H LEU A 96 1.066 -19.568 5.216 1.00 0.00 H new ATOM 0 HA LEU A 96 0.833 -16.759 5.086 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.866 -16.886 6.707 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.030 -18.318 5.711 1.00 0.00 H new ATOM 0 HG LEU A 96 0.416 -18.436 8.362 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.708 -19.138 9.458 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.773 -17.457 8.878 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.591 -18.746 7.963 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.321 -20.806 8.337 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.109 -20.528 6.766 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.659 -20.387 6.911 1.00 0.00 H new ATOM 1515 N TRP A 97 1.921 -15.798 7.201 1.00 0.00 N ATOM 1516 CA TRP A 97 2.605 -15.193 8.338 1.00 0.00 C ATOM 1517 C TRP A 97 1.561 -14.967 9.427 1.00 0.00 C ATOM 1518 O TRP A 97 0.361 -14.950 9.140 1.00 0.00 O ATOM 1519 CB TRP A 97 3.263 -13.845 7.928 1.00 0.00 C ATOM 1520 CG TRP A 97 4.330 -13.970 6.858 1.00 0.00 C ATOM 1521 CD1 TRP A 97 4.211 -14.593 5.647 1.00 0.00 C ATOM 1522 CD2 TRP A 97 5.650 -13.422 6.892 1.00 0.00 C ATOM 1523 NE1 TRP A 97 5.382 -14.513 4.958 1.00 0.00 N ATOM 1524 CE2 TRP A 97 6.281 -13.793 5.691 1.00 0.00 C ATOM 1525 CE3 TRP A 97 6.365 -12.671 7.823 1.00 0.00 C ATOM 1526 CZ2 TRP A 97 7.584 -13.434 5.397 1.00 0.00 C ATOM 1527 CZ3 TRP A 97 7.663 -12.315 7.532 1.00 0.00 C ATOM 1528 CH2 TRP A 97 8.262 -12.700 6.330 1.00 0.00 C ATOM 0 H TRP A 97 1.392 -15.127 6.645 1.00 0.00 H new ATOM 0 HA TRP A 97 3.400 -15.846 8.697 1.00 0.00 H new ATOM 0 HB2 TRP A 97 2.486 -13.169 7.572 1.00 0.00 H new ATOM 0 HB3 TRP A 97 3.704 -13.386 8.813 1.00 0.00 H new ATOM 0 HD1 TRP A 97 3.316 -15.079 5.288 1.00 0.00 H new ATOM 0 HE1 TRP A 97 5.559 -14.925 4.042 1.00 0.00 H new ATOM 0 HE3 TRP A 97 5.909 -12.374 8.756 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 8.048 -13.723 4.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 8.226 -11.729 8.244 1.00 0.00 H new ATOM 0 HH2 TRP A 97 9.284 -12.411 6.133 1.00 0.00 H new ATOM 1539 N VAL A 98 2.002 -14.828 10.672 1.00 0.00 N ATOM 1540 CA VAL A 98 1.129 -14.422 11.780 1.00 0.00 C ATOM 1541 C VAL A 98 1.807 -13.283 12.524 1.00 0.00 C ATOM 1542 O VAL A 98 2.970 -13.392 12.883 1.00 0.00 O ATOM 1543 CB VAL A 98 0.764 -15.597 12.765 1.00 0.00 C ATOM 1544 CG1 VAL A 98 -0.115 -15.092 13.944 1.00 0.00 C ATOM 1545 CG2 VAL A 98 0.060 -16.762 12.014 1.00 0.00 C ATOM 0 H VAL A 98 2.971 -14.992 10.947 1.00 0.00 H new ATOM 0 HA VAL A 98 0.177 -14.101 11.357 1.00 0.00 H new ATOM 0 HB VAL A 98 1.697 -15.978 13.180 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -0.350 -15.926 14.606 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.428 -14.328 14.501 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -1.040 -14.668 13.553 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.179 -17.558 12.720 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.858 -16.396 11.554 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.723 -17.150 11.241 1.00 0.00 H new ATOM 1555 N VAL A 99 1.081 -12.169 12.679 1.00 0.00 N ATOM 1556 CA VAL A 99 1.535 -10.999 13.459 1.00 0.00 C ATOM 1557 C VAL A 99 0.521 -10.742 14.575 1.00 0.00 C ATOM 1558 O VAL A 99 -0.673 -10.602 14.295 1.00 0.00 O ATOM 1559 CB VAL A 99 1.686 -9.698 12.567 1.00 0.00 C ATOM 1560 CG1 VAL A 99 2.204 -8.478 13.383 1.00 0.00 C ATOM 1561 CG2 VAL A 99 2.594 -9.979 11.347 1.00 0.00 C ATOM 0 H VAL A 99 0.156 -12.048 12.266 1.00 0.00 H new ATOM 0 HA VAL A 99 2.521 -11.221 13.866 1.00 0.00 H new ATOM 0 HB VAL A 99 0.692 -9.434 12.207 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.290 -7.612 12.727 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.504 -8.255 14.188 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.181 -8.712 13.806 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.686 -9.074 10.746 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.581 -10.288 11.691 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.156 -10.773 10.742 1.00 0.00 H new ATOM 1571 N GLU A 100 0.981 -10.721 15.835 1.00 0.00 N ATOM 1572 CA GLU A 100 0.134 -10.321 16.964 1.00 0.00 C ATOM 1573 C GLU A 100 0.222 -8.798 17.123 1.00 0.00 C ATOM 1574 O GLU A 100 1.287 -8.260 17.404 1.00 0.00 O ATOM 1575 CB GLU A 100 0.529 -11.056 18.285 1.00 0.00 C ATOM 1576 CG GLU A 100 1.988 -10.849 18.760 1.00 0.00 C ATOM 1577 CD GLU A 100 2.279 -11.420 20.159 1.00 0.00 C ATOM 1578 OE1 GLU A 100 1.841 -12.554 20.449 1.00 0.00 O ATOM 1579 OE2 GLU A 100 2.963 -10.749 20.968 1.00 0.00 O ATOM 0 H GLU A 100 1.934 -10.976 16.095 1.00 0.00 H new ATOM 0 HA GLU A 100 -0.896 -10.611 16.756 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -0.142 -10.725 19.078 1.00 0.00 H new ATOM 0 HB3 GLU A 100 0.359 -12.124 18.149 1.00 0.00 H new ATOM 0 HG2 GLU A 100 2.662 -11.315 18.041 1.00 0.00 H new ATOM 0 HG3 GLU A 100 2.211 -9.782 18.761 1.00 0.00 H new ATOM 1586 N ILE A 101 -0.884 -8.102 16.841 1.00 0.00 N ATOM 1587 CA ILE A 101 -1.014 -6.662 17.101 1.00 0.00 C ATOM 1588 C ILE A 101 -1.927 -6.481 18.327 1.00 0.00 C ATOM 1589 O ILE A 101 -2.986 -7.092 18.402 1.00 0.00 O ATOM 1590 CB ILE A 101 -1.556 -5.872 15.839 1.00 0.00 C ATOM 1591 CG1 ILE A 101 -2.998 -6.312 15.441 1.00 0.00 C ATOM 1592 CG2 ILE A 101 -0.592 -6.047 14.635 1.00 0.00 C ATOM 1593 CD1 ILE A 101 -3.635 -5.495 14.337 1.00 0.00 C ATOM 0 H ILE A 101 -1.716 -8.520 16.425 1.00 0.00 H new ATOM 0 HA ILE A 101 -0.031 -6.239 17.307 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.601 -4.819 16.115 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.970 -7.356 15.130 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -3.634 -6.260 16.324 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -0.979 -5.498 13.776 1.00 0.00 H new ATOM 0 HG22 ILE A 101 0.393 -5.661 14.898 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.512 -7.105 14.384 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -4.635 -5.877 14.132 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -3.702 -4.453 14.648 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -3.027 -5.566 13.435 1.00 0.00 H new ATOM 1605 N GLU A 102 -1.481 -5.705 19.323 1.00 0.00 N ATOM 1606 CA GLU A 102 -2.252 -5.445 20.549 1.00 0.00 C ATOM 1607 C GLU A 102 -2.686 -3.976 20.506 1.00 0.00 C ATOM 1608 O GLU A 102 -1.881 -3.074 20.752 1.00 0.00 O ATOM 1609 CB GLU A 102 -1.393 -5.789 21.805 1.00 0.00 C ATOM 1610 CG GLU A 102 -2.172 -5.940 23.141 1.00 0.00 C ATOM 1611 CD GLU A 102 -2.745 -4.625 23.718 1.00 0.00 C ATOM 1612 OE1 GLU A 102 -1.940 -3.745 24.101 1.00 0.00 O ATOM 1613 OE2 GLU A 102 -3.990 -4.457 23.784 1.00 0.00 O ATOM 0 H GLU A 102 -0.574 -5.238 19.303 1.00 0.00 H new ATOM 0 HA GLU A 102 -3.140 -6.075 20.612 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -0.858 -6.719 21.612 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.641 -5.010 21.931 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -2.994 -6.640 22.988 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.508 -6.385 23.882 1.00 0.00 H new ATOM 1620 N THR A 103 -3.964 -3.754 20.181 1.00 0.00 N ATOM 1621 CA THR A 103 -4.514 -2.413 19.930 1.00 0.00 C ATOM 1622 C THR A 103 -6.043 -2.429 20.091 1.00 0.00 C ATOM 1623 O THR A 103 -6.671 -3.493 20.086 1.00 0.00 O ATOM 1624 CB THR A 103 -4.108 -1.877 18.497 1.00 0.00 C ATOM 1625 OG1 THR A 103 -4.747 -0.612 18.216 1.00 0.00 O ATOM 1626 CG2 THR A 103 -4.448 -2.886 17.387 1.00 0.00 C ATOM 0 H THR A 103 -4.651 -4.502 20.084 1.00 0.00 H new ATOM 0 HA THR A 103 -4.089 -1.731 20.666 1.00 0.00 H new ATOM 0 HB THR A 103 -3.027 -1.737 18.510 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.443 -0.741 17.538 1.00 0.00 H new ATOM 0 HG21 THR A 103 -4.153 -2.477 16.421 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.912 -3.818 17.566 1.00 0.00 H new ATOM 0 HG23 THR A 103 -5.521 -3.079 17.387 1.00 0.00 H new ATOM 1634 N ASP A 104 -6.622 -1.228 20.252 1.00 0.00 N ATOM 1635 CA ASP A 104 -8.083 -1.015 20.336 1.00 0.00 C ATOM 1636 C ASP A 104 -8.683 -0.927 18.921 1.00 0.00 C ATOM 1637 O ASP A 104 -9.697 -1.565 18.606 1.00 0.00 O ATOM 1638 CB ASP A 104 -8.376 0.290 21.134 1.00 0.00 C ATOM 1639 CG ASP A 104 -9.860 0.726 21.089 1.00 0.00 C ATOM 1640 OD1 ASP A 104 -10.678 0.182 21.863 1.00 0.00 O ATOM 1641 OD2 ASP A 104 -10.208 1.625 20.287 1.00 0.00 O ATOM 0 H ASP A 104 -6.085 -0.364 20.329 1.00 0.00 H new ATOM 0 HA ASP A 104 -8.542 -1.856 20.855 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -8.081 0.144 22.173 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -7.758 1.095 20.737 1.00 0.00 H new ATOM 1646 N GLU A 105 -8.010 -0.143 18.073 1.00 0.00 N ATOM 1647 CA GLU A 105 -8.482 0.211 16.723 1.00 0.00 C ATOM 1648 C GLU A 105 -7.721 -0.592 15.663 1.00 0.00 C ATOM 1649 O GLU A 105 -6.602 -1.044 15.911 1.00 0.00 O ATOM 1650 CB GLU A 105 -8.306 1.733 16.516 1.00 0.00 C ATOM 1651 CG GLU A 105 -6.866 2.253 16.725 1.00 0.00 C ATOM 1652 CD GLU A 105 -6.804 3.774 16.919 1.00 0.00 C ATOM 1653 OE1 GLU A 105 -6.966 4.522 15.933 1.00 0.00 O ATOM 1654 OE2 GLU A 105 -6.638 4.225 18.074 1.00 0.00 O ATOM 0 H GLU A 105 -7.108 0.272 18.305 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.538 -0.039 16.620 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -8.626 1.987 15.506 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.970 2.258 17.203 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -6.430 1.762 17.596 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -6.256 1.976 15.865 1.00 0.00 H new ATOM 1661 N ILE A 106 -8.338 -0.772 14.481 1.00 0.00 N ATOM 1662 CA ILE A 106 -7.765 -1.583 13.387 1.00 0.00 C ATOM 1663 C ILE A 106 -7.633 -0.761 12.084 1.00 0.00 C ATOM 1664 O ILE A 106 -6.625 -0.875 11.389 1.00 0.00 O ATOM 1665 CB ILE A 106 -8.617 -2.893 13.130 1.00 0.00 C ATOM 1666 CG1 ILE A 106 -7.929 -3.825 12.078 1.00 0.00 C ATOM 1667 CG2 ILE A 106 -10.083 -2.574 12.730 1.00 0.00 C ATOM 1668 CD1 ILE A 106 -6.587 -4.385 12.514 1.00 0.00 C ATOM 0 H ILE A 106 -9.244 -0.362 14.256 1.00 0.00 H new ATOM 0 HA ILE A 106 -6.766 -1.884 13.701 1.00 0.00 H new ATOM 0 HB ILE A 106 -8.658 -3.432 14.077 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -8.599 -4.655 11.854 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -7.792 -3.267 11.152 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -10.626 -3.505 12.565 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -10.564 -2.011 13.530 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -10.090 -1.982 11.814 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -6.183 -5.019 11.724 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.896 -3.565 12.709 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.716 -4.974 13.422 1.00 0.00 H new ATOM 1680 N GLY A 107 -8.620 0.120 11.814 1.00 0.00 N ATOM 1681 CA GLY A 107 -8.778 0.762 10.495 1.00 0.00 C ATOM 1682 C GLY A 107 -7.597 1.642 10.083 1.00 0.00 C ATOM 1683 O GLY A 107 -7.238 1.704 8.901 1.00 0.00 O ATOM 0 H GLY A 107 -9.322 0.403 12.498 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -8.921 -0.012 9.741 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -9.683 1.369 10.504 1.00 0.00 H new ATOM 1687 N THR A 108 -6.984 2.301 11.081 1.00 0.00 N ATOM 1688 CA THR A 108 -5.828 3.193 10.876 1.00 0.00 C ATOM 1689 C THR A 108 -4.543 2.399 10.555 1.00 0.00 C ATOM 1690 O THR A 108 -3.698 2.849 9.775 1.00 0.00 O ATOM 1691 CB THR A 108 -5.594 4.098 12.138 1.00 0.00 C ATOM 1692 OG1 THR A 108 -4.554 5.058 11.879 1.00 0.00 O ATOM 1693 CG2 THR A 108 -5.231 3.284 13.397 1.00 0.00 C ATOM 0 H THR A 108 -7.276 2.230 12.056 1.00 0.00 H new ATOM 0 HA THR A 108 -6.058 3.826 10.019 1.00 0.00 H new ATOM 0 HB THR A 108 -6.538 4.607 12.333 1.00 0.00 H new ATOM 0 HG1 THR A 108 -4.419 5.617 12.673 1.00 0.00 H new ATOM 0 HG21 THR A 108 -5.081 3.962 14.238 1.00 0.00 H new ATOM 0 HG22 THR A 108 -6.041 2.592 13.629 1.00 0.00 H new ATOM 0 HG23 THR A 108 -4.315 2.722 13.215 1.00 0.00 H new ATOM 1701 N LEU A 109 -4.427 1.193 11.140 1.00 0.00 N ATOM 1702 CA LEU A 109 -3.178 0.411 11.146 1.00 0.00 C ATOM 1703 C LEU A 109 -3.271 -0.861 10.281 1.00 0.00 C ATOM 1704 O LEU A 109 -2.283 -1.593 10.151 1.00 0.00 O ATOM 1705 CB LEU A 109 -2.765 0.127 12.628 1.00 0.00 C ATOM 1706 CG LEU A 109 -3.887 -0.390 13.602 1.00 0.00 C ATOM 1707 CD1 LEU A 109 -4.060 -1.919 13.536 1.00 0.00 C ATOM 1708 CD2 LEU A 109 -3.639 0.078 15.056 1.00 0.00 C ATOM 0 H LEU A 109 -5.199 0.733 11.623 1.00 0.00 H new ATOM 0 HA LEU A 109 -2.387 0.996 10.677 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.961 -0.608 12.619 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.353 1.046 13.045 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.822 0.054 13.261 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.846 -2.226 14.226 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.333 -2.211 12.522 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.124 -2.403 13.813 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -4.434 -0.298 15.700 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.679 -0.305 15.403 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.629 1.167 15.091 1.00 0.00 H new ATOM 1720 N LEU A 110 -4.449 -1.084 9.676 1.00 0.00 N ATOM 1721 CA LEU A 110 -4.711 -2.204 8.755 1.00 0.00 C ATOM 1722 C LEU A 110 -6.097 -2.015 8.108 1.00 0.00 C ATOM 1723 O LEU A 110 -7.121 -2.004 8.806 1.00 0.00 O ATOM 1724 CB LEU A 110 -4.642 -3.574 9.496 1.00 0.00 C ATOM 1725 CG LEU A 110 -4.855 -4.840 8.613 1.00 0.00 C ATOM 1726 CD1 LEU A 110 -3.787 -4.949 7.513 1.00 0.00 C ATOM 1727 CD2 LEU A 110 -4.928 -6.128 9.476 1.00 0.00 C ATOM 0 H LEU A 110 -5.260 -0.481 9.815 1.00 0.00 H new ATOM 0 HA LEU A 110 -3.942 -2.209 7.982 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.669 -3.653 9.981 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.393 -3.576 10.286 1.00 0.00 H new ATOM 0 HG LEU A 110 -5.818 -4.732 8.113 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -3.968 -5.844 6.918 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -3.835 -4.070 6.871 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -2.799 -5.011 7.970 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -5.077 -6.992 8.828 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.998 -6.247 10.031 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -5.761 -6.051 10.175 1.00 0.00 H new ATOM 1739 N THR A 111 -6.117 -1.856 6.777 1.00 0.00 N ATOM 1740 CA THR A 111 -7.350 -1.645 6.005 1.00 0.00 C ATOM 1741 C THR A 111 -7.952 -2.998 5.557 1.00 0.00 C ATOM 1742 O THR A 111 -7.229 -3.905 5.118 1.00 0.00 O ATOM 1743 CB THR A 111 -7.083 -0.714 4.780 1.00 0.00 C ATOM 1744 OG1 THR A 111 -6.593 0.558 5.247 1.00 0.00 O ATOM 1745 CG2 THR A 111 -8.350 -0.500 3.929 1.00 0.00 C ATOM 0 H THR A 111 -5.274 -1.870 6.203 1.00 0.00 H new ATOM 0 HA THR A 111 -8.078 -1.150 6.648 1.00 0.00 H new ATOM 0 HB THR A 111 -6.340 -1.198 4.147 1.00 0.00 H new ATOM 0 HG1 THR A 111 -6.423 1.144 4.480 1.00 0.00 H new ATOM 0 HG21 THR A 111 -8.118 0.154 3.088 1.00 0.00 H new ATOM 0 HG22 THR A 111 -8.703 -1.461 3.555 1.00 0.00 H new ATOM 0 HG23 THR A 111 -9.126 -0.041 4.541 1.00 0.00 H new ATOM 1753 N LEU A 112 -9.293 -3.101 5.670 1.00 0.00 N ATOM 1754 CA LEU A 112 -10.063 -4.344 5.458 1.00 0.00 C ATOM 1755 C LEU A 112 -11.247 -4.091 4.497 1.00 0.00 C ATOM 1756 O LEU A 112 -11.796 -2.986 4.467 1.00 0.00 O ATOM 1757 CB LEU A 112 -10.595 -4.850 6.826 1.00 0.00 C ATOM 1758 CG LEU A 112 -9.519 -4.993 7.954 1.00 0.00 C ATOM 1759 CD1 LEU A 112 -10.155 -5.049 9.339 1.00 0.00 C ATOM 1760 CD2 LEU A 112 -8.597 -6.204 7.716 1.00 0.00 C ATOM 0 H LEU A 112 -9.882 -2.306 5.916 1.00 0.00 H new ATOM 0 HA LEU A 112 -9.412 -5.096 5.012 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -11.370 -4.165 7.171 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -11.070 -5.819 6.676 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.899 -4.097 7.913 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -9.375 -5.148 10.094 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -10.719 -4.133 9.518 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -10.827 -5.905 9.397 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.865 -6.268 8.521 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.193 -7.116 7.695 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.080 -6.086 6.764 1.00 0.00 H new ATOM 1772 N VAL A 113 -11.619 -5.123 3.717 1.00 0.00 N ATOM 1773 CA VAL A 113 -12.805 -5.110 2.833 1.00 0.00 C ATOM 1774 C VAL A 113 -14.080 -5.398 3.659 1.00 0.00 C ATOM 1775 O VAL A 113 -15.170 -4.926 3.325 1.00 0.00 O ATOM 1776 CB VAL A 113 -12.680 -6.166 1.653 1.00 0.00 C ATOM 1777 CG1 VAL A 113 -11.523 -5.810 0.685 1.00 0.00 C ATOM 1778 CG2 VAL A 113 -12.506 -7.605 2.196 1.00 0.00 C ATOM 0 H VAL A 113 -11.100 -6.000 3.681 1.00 0.00 H new ATOM 0 HA VAL A 113 -12.869 -4.119 2.385 1.00 0.00 H new ATOM 0 HB VAL A 113 -13.613 -6.124 1.092 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -11.470 -6.556 -0.108 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -11.703 -4.828 0.248 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.581 -5.796 1.233 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -12.424 -8.301 1.361 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -11.602 -7.658 2.803 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -13.369 -7.870 2.806 1.00 0.00 H new ATOM 1788 N ASP A 114 -13.907 -6.186 4.739 1.00 0.00 N ATOM 1789 CA ASP A 114 -14.986 -6.563 5.666 1.00 0.00 C ATOM 1790 C ASP A 114 -15.429 -5.339 6.484 1.00 0.00 C ATOM 1791 O ASP A 114 -16.605 -4.956 6.472 1.00 0.00 O ATOM 1792 CB ASP A 114 -14.491 -7.693 6.604 1.00 0.00 C ATOM 1793 CG ASP A 114 -15.543 -8.145 7.639 1.00 0.00 C ATOM 1794 OD1 ASP A 114 -15.610 -7.550 8.747 1.00 0.00 O ATOM 1795 OD2 ASP A 114 -16.300 -9.099 7.360 1.00 0.00 O ATOM 0 H ASP A 114 -13.002 -6.582 4.993 1.00 0.00 H new ATOM 0 HA ASP A 114 -15.843 -6.925 5.097 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -14.196 -8.551 6.000 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -13.599 -7.352 7.130 1.00 0.00 H new ATOM 1800 N GLN A 115 -14.458 -4.746 7.198 1.00 0.00 N ATOM 1801 CA GLN A 115 -14.690 -3.563 8.037 1.00 0.00 C ATOM 1802 C GLN A 115 -14.883 -2.291 7.177 1.00 0.00 C ATOM 1803 O GLN A 115 -14.245 -2.156 6.126 1.00 0.00 O ATOM 1804 CB GLN A 115 -13.528 -3.381 9.057 1.00 0.00 C ATOM 1805 CG GLN A 115 -13.532 -4.418 10.198 1.00 0.00 C ATOM 1806 CD GLN A 115 -14.798 -4.346 11.050 1.00 0.00 C ATOM 1807 OE1 GLN A 115 -15.783 -5.030 10.783 1.00 0.00 O ATOM 1808 NE2 GLN A 115 -14.789 -3.499 12.070 1.00 0.00 N ATOM 0 H GLN A 115 -13.492 -5.074 7.209 1.00 0.00 H new ATOM 0 HA GLN A 115 -15.613 -3.721 8.595 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -12.578 -3.443 8.526 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -13.588 -2.381 9.487 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -13.439 -5.418 9.776 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -12.661 -4.258 10.833 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -13.955 -2.945 12.266 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -15.616 -3.401 12.659 1.00 0.00 H new