USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 395 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 16 TYR OH : rot 30:sc= -1.02 USER MOD Set 1.2: A 19 THR OG1 : rot -24:sc= -0.0133 USER MOD Set 1.3: A 23 GLN : amide:sc= 0.183 K(o=-0.85,f=-2.9!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.0703 K(o=-0.07,f=-1.4!) USER MOD Single : A 38 THR OG1 : rot -175:sc=-0.00751 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.199 USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot -26:sc= -0.506! USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.0148 X(o=-0.015,f=-0.0071) USER MOD Single : A 58 HIS : no HD1:sc= -9.82! C(o=-9.8!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -5.643 6.430 -7.418 1.00 0.00 N ATOM 60 CA GLY A 7 -5.260 5.512 -6.359 1.00 0.00 C ATOM 61 C GLY A 7 -4.299 6.180 -5.374 1.00 0.00 C ATOM 62 O GLY A 7 -3.976 7.358 -5.519 1.00 0.00 O ATOM 0 HA2 GLY A 7 -6.150 5.171 -5.830 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.788 4.630 -6.791 1.00 0.00 H new ATOM 66 N GLU A 8 -3.869 5.399 -4.394 1.00 0.00 N ATOM 67 CA GLU A 8 -2.952 5.901 -3.385 1.00 0.00 C ATOM 68 C GLU A 8 -1.602 5.188 -3.493 1.00 0.00 C ATOM 69 O GLU A 8 -1.544 3.959 -3.493 1.00 0.00 O ATOM 70 CB GLU A 8 -3.542 5.748 -1.982 1.00 0.00 C ATOM 71 CG GLU A 8 -4.676 6.749 -1.751 1.00 0.00 C ATOM 72 CD GLU A 8 -4.527 7.444 -0.396 1.00 0.00 C ATOM 73 OE1 GLU A 8 -4.442 6.710 0.612 1.00 0.00 O ATOM 74 OE2 GLU A 8 -4.501 8.694 -0.399 1.00 0.00 O ATOM 0 H GLU A 8 -4.139 4.422 -4.277 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.795 6.965 -3.563 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.916 4.733 -1.850 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.761 5.900 -1.237 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.677 7.493 -2.547 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.635 6.234 -1.796 1.00 0.00 H new ATOM 81 N GLU A 9 -0.551 5.989 -3.582 1.00 0.00 N ATOM 82 CA GLU A 9 0.794 5.450 -3.690 1.00 0.00 C ATOM 83 C GLU A 9 1.398 5.246 -2.299 1.00 0.00 C ATOM 84 O GLU A 9 1.747 6.212 -1.623 1.00 0.00 O ATOM 85 CB GLU A 9 1.681 6.356 -4.546 1.00 0.00 C ATOM 86 CG GLU A 9 2.169 5.623 -5.797 1.00 0.00 C ATOM 87 CD GLU A 9 2.125 6.539 -7.022 1.00 0.00 C ATOM 88 OE1 GLU A 9 3.120 7.269 -7.221 1.00 0.00 O ATOM 89 OE2 GLU A 9 1.097 6.488 -7.731 1.00 0.00 O ATOM 0 H GLU A 9 -0.603 7.008 -3.582 1.00 0.00 H new ATOM 0 HA GLU A 9 0.737 4.481 -4.185 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.124 7.247 -4.836 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.537 6.692 -3.960 1.00 0.00 H new ATOM 0 HG2 GLU A 9 3.188 5.268 -5.641 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.549 4.744 -5.973 1.00 0.00 H new ATOM 96 N PHE A 10 1.502 3.983 -1.913 1.00 0.00 N ATOM 97 CA PHE A 10 2.058 3.640 -0.615 1.00 0.00 C ATOM 98 C PHE A 10 3.459 3.042 -0.759 1.00 0.00 C ATOM 99 O PHE A 10 3.832 2.577 -1.835 1.00 0.00 O ATOM 100 CB PHE A 10 1.131 2.594 0.006 1.00 0.00 C ATOM 101 CG PHE A 10 -0.021 3.187 0.820 1.00 0.00 C ATOM 102 CD1 PHE A 10 -1.064 3.786 0.186 1.00 0.00 C ATOM 103 CD2 PHE A 10 -0.001 3.117 2.178 1.00 0.00 C ATOM 104 CE1 PHE A 10 -2.133 4.337 0.941 1.00 0.00 C ATOM 105 CE2 PHE A 10 -1.069 3.668 2.934 1.00 0.00 C ATOM 106 CZ PHE A 10 -2.113 4.266 2.299 1.00 0.00 C ATOM 0 H PHE A 10 1.211 3.184 -2.477 1.00 0.00 H new ATOM 0 HA PHE A 10 2.136 4.534 0.004 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.718 1.972 -0.788 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.718 1.940 0.650 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.079 3.843 -0.892 1.00 0.00 H new ATOM 0 HD2 PHE A 10 0.828 2.642 2.682 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.962 4.812 0.437 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.053 3.612 4.012 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.926 4.684 2.873 1.00 0.00 H new ATOM 116 N VAL A 11 4.197 3.075 0.341 1.00 0.00 N ATOM 117 CA VAL A 11 5.549 2.542 0.351 1.00 0.00 C ATOM 118 C VAL A 11 5.610 1.337 1.292 1.00 0.00 C ATOM 119 O VAL A 11 5.089 1.388 2.405 1.00 0.00 O ATOM 120 CB VAL A 11 6.543 3.644 0.724 1.00 0.00 C ATOM 121 CG1 VAL A 11 7.775 3.059 1.416 1.00 0.00 C ATOM 122 CG2 VAL A 11 6.941 4.462 -0.506 1.00 0.00 C ATOM 0 H VAL A 11 3.884 3.462 1.231 1.00 0.00 H new ATOM 0 HA VAL A 11 5.830 2.193 -0.643 1.00 0.00 H new ATOM 0 HB VAL A 11 6.051 4.315 1.428 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.465 3.863 1.671 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.470 2.541 2.325 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.269 2.355 0.746 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.648 5.238 -0.213 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.405 3.807 -1.244 1.00 0.00 H new ATOM 0 HG23 VAL A 11 6.053 4.924 -0.939 1.00 0.00 H new ATOM 132 N ALA A 12 6.252 0.283 0.811 1.00 0.00 N ATOM 133 CA ALA A 12 6.388 -0.933 1.595 1.00 0.00 C ATOM 134 C ALA A 12 7.377 -0.689 2.737 1.00 0.00 C ATOM 135 O ALA A 12 8.548 -0.399 2.497 1.00 0.00 O ATOM 136 CB ALA A 12 6.821 -2.083 0.684 1.00 0.00 C ATOM 0 H ALA A 12 6.684 0.246 -0.112 1.00 0.00 H new ATOM 0 HA ALA A 12 5.433 -1.212 2.039 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.923 -2.995 1.273 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.071 -2.234 -0.093 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.778 -1.841 0.222 1.00 0.00 H new ATOM 142 N ILE A 13 6.870 -0.816 3.954 1.00 0.00 N ATOM 143 CA ILE A 13 7.694 -0.613 5.134 1.00 0.00 C ATOM 144 C ILE A 13 8.846 -1.619 5.124 1.00 0.00 C ATOM 145 O ILE A 13 9.827 -1.452 5.848 1.00 0.00 O ATOM 146 CB ILE A 13 6.839 -0.669 6.401 1.00 0.00 C ATOM 147 CG1 ILE A 13 6.052 -1.980 6.474 1.00 0.00 C ATOM 148 CG2 ILE A 13 5.925 0.554 6.501 1.00 0.00 C ATOM 149 CD1 ILE A 13 6.029 -2.526 7.903 1.00 0.00 C ATOM 0 H ILE A 13 5.898 -1.057 4.149 1.00 0.00 H new ATOM 0 HA ILE A 13 8.139 0.382 5.122 1.00 0.00 H new ATOM 0 HB ILE A 13 7.505 -0.644 7.263 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.032 -1.816 6.127 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.501 -2.716 5.807 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.328 0.489 7.411 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.531 1.460 6.529 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.264 0.586 5.635 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.464 -3.458 7.927 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.049 -2.712 8.238 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.557 -1.798 8.563 1.00 0.00 H new ATOM 161 N ALA A 14 8.690 -2.642 4.297 1.00 0.00 N ATOM 162 CA ALA A 14 9.705 -3.675 4.184 1.00 0.00 C ATOM 163 C ALA A 14 9.343 -4.616 3.032 1.00 0.00 C ATOM 164 O ALA A 14 8.178 -4.719 2.653 1.00 0.00 O ATOM 165 CB ALA A 14 9.835 -4.412 5.519 1.00 0.00 C ATOM 0 H ALA A 14 7.875 -2.778 3.698 1.00 0.00 H new ATOM 0 HA ALA A 14 10.676 -3.235 3.958 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.597 -5.187 5.434 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.121 -3.706 6.298 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.880 -4.869 5.777 1.00 0.00 H new ATOM 171 N ASP A 15 10.364 -5.278 2.508 1.00 0.00 N ATOM 172 CA ASP A 15 10.169 -6.206 1.408 1.00 0.00 C ATOM 173 C ASP A 15 9.235 -7.332 1.856 1.00 0.00 C ATOM 174 O ASP A 15 9.233 -7.714 3.025 1.00 0.00 O ATOM 175 CB ASP A 15 11.495 -6.836 0.976 1.00 0.00 C ATOM 176 CG ASP A 15 11.368 -8.174 0.246 1.00 0.00 C ATOM 177 OD1 ASP A 15 10.613 -8.208 -0.751 1.00 0.00 O ATOM 178 OD2 ASP A 15 12.028 -9.133 0.700 1.00 0.00 O ATOM 0 H ASP A 15 11.329 -5.190 2.825 1.00 0.00 H new ATOM 0 HA ASP A 15 9.744 -5.652 0.571 1.00 0.00 H new ATOM 0 HB2 ASP A 15 12.019 -6.134 0.328 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.117 -6.979 1.860 1.00 0.00 H new ATOM 183 N TYR A 16 8.462 -7.832 0.902 1.00 0.00 N ATOM 184 CA TYR A 16 7.526 -8.906 1.184 1.00 0.00 C ATOM 185 C TYR A 16 7.618 -10.006 0.125 1.00 0.00 C ATOM 186 O TYR A 16 7.999 -9.745 -1.015 1.00 0.00 O ATOM 187 CB TYR A 16 6.132 -8.276 1.128 1.00 0.00 C ATOM 188 CG TYR A 16 4.988 -9.289 1.209 1.00 0.00 C ATOM 189 CD1 TYR A 16 4.921 -10.171 2.268 1.00 0.00 C ATOM 190 CD2 TYR A 16 4.023 -9.320 0.223 1.00 0.00 C ATOM 191 CE1 TYR A 16 3.844 -11.124 2.345 1.00 0.00 C ATOM 192 CE2 TYR A 16 2.946 -10.273 0.299 1.00 0.00 C ATOM 193 CZ TYR A 16 2.910 -11.128 1.356 1.00 0.00 C ATOM 194 OH TYR A 16 1.893 -12.028 1.428 1.00 0.00 O ATOM 0 H TYR A 16 8.465 -7.513 -0.067 1.00 0.00 H new ATOM 0 HA TYR A 16 7.742 -9.359 2.152 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.033 -7.565 1.948 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.037 -7.710 0.202 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.676 -10.147 3.039 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.075 -8.629 -0.606 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.779 -11.819 3.169 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.184 -10.308 -0.466 1.00 0.00 H new ATOM 0 HH TYR A 16 1.696 -12.225 2.368 1.00 0.00 H new ATOM 204 N ALA A 17 7.264 -11.214 0.539 1.00 0.00 N ATOM 205 CA ALA A 17 7.302 -12.355 -0.360 1.00 0.00 C ATOM 206 C ALA A 17 5.936 -13.043 -0.362 1.00 0.00 C ATOM 207 O ALA A 17 5.549 -13.667 0.625 1.00 0.00 O ATOM 208 CB ALA A 17 8.430 -13.299 0.061 1.00 0.00 C ATOM 0 H ALA A 17 6.949 -11.427 1.486 1.00 0.00 H new ATOM 0 HA ALA A 17 7.510 -12.033 -1.380 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.459 -14.155 -0.613 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.382 -12.770 0.017 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.254 -13.645 1.079 1.00 0.00 H new ATOM 214 N ALA A 18 5.242 -12.906 -1.482 1.00 0.00 N ATOM 215 CA ALA A 18 3.926 -13.507 -1.626 1.00 0.00 C ATOM 216 C ALA A 18 4.047 -15.026 -1.488 1.00 0.00 C ATOM 217 O ALA A 18 4.813 -15.660 -2.212 1.00 0.00 O ATOM 218 CB ALA A 18 3.318 -13.090 -2.966 1.00 0.00 C ATOM 0 H ALA A 18 5.566 -12.388 -2.299 1.00 0.00 H new ATOM 0 HA ALA A 18 3.256 -13.157 -0.841 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.331 -13.541 -3.074 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.227 -12.004 -3.002 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.962 -13.427 -3.778 1.00 0.00 H new ATOM 224 N THR A 19 3.279 -15.566 -0.553 1.00 0.00 N ATOM 225 CA THR A 19 3.289 -16.998 -0.311 1.00 0.00 C ATOM 226 C THR A 19 2.323 -17.707 -1.262 1.00 0.00 C ATOM 227 O THR A 19 2.469 -18.900 -1.524 1.00 0.00 O ATOM 228 CB THR A 19 2.967 -17.230 1.167 1.00 0.00 C ATOM 229 OG1 THR A 19 1.657 -16.693 1.325 1.00 0.00 O ATOM 230 CG2 THR A 19 3.835 -16.379 2.096 1.00 0.00 C ATOM 0 H THR A 19 2.645 -15.037 0.046 1.00 0.00 H new ATOM 0 HA THR A 19 4.270 -17.427 -0.516 1.00 0.00 H new ATOM 0 HB THR A 19 3.105 -18.284 1.408 1.00 0.00 H new ATOM 0 HG1 THR A 19 1.490 -16.027 0.626 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.566 -16.582 3.133 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.885 -16.625 1.939 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.673 -15.323 1.879 1.00 0.00 H new ATOM 238 N ASP A 20 1.359 -16.943 -1.752 1.00 0.00 N ATOM 239 CA ASP A 20 0.369 -17.483 -2.669 1.00 0.00 C ATOM 240 C ASP A 20 0.465 -16.749 -4.007 1.00 0.00 C ATOM 241 O ASP A 20 1.316 -15.878 -4.182 1.00 0.00 O ATOM 242 CB ASP A 20 -1.048 -17.291 -2.125 1.00 0.00 C ATOM 243 CG ASP A 20 -1.728 -18.568 -1.626 1.00 0.00 C ATOM 244 OD1 ASP A 20 -1.044 -19.614 -1.631 1.00 0.00 O ATOM 245 OD2 ASP A 20 -2.916 -18.468 -1.250 1.00 0.00 O ATOM 0 H ASP A 20 1.242 -15.954 -1.532 1.00 0.00 H new ATOM 0 HA ASP A 20 0.568 -18.548 -2.790 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.012 -16.573 -1.306 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.665 -16.851 -2.908 1.00 0.00 H new ATOM 250 N GLU A 21 -0.420 -17.127 -4.918 1.00 0.00 N ATOM 251 CA GLU A 21 -0.445 -16.515 -6.236 1.00 0.00 C ATOM 252 C GLU A 21 -1.509 -15.416 -6.291 1.00 0.00 C ATOM 253 O GLU A 21 -1.904 -14.983 -7.372 1.00 0.00 O ATOM 254 CB GLU A 21 -0.684 -17.564 -7.323 1.00 0.00 C ATOM 255 CG GLU A 21 -2.053 -18.226 -7.154 1.00 0.00 C ATOM 256 CD GLU A 21 -1.949 -19.746 -7.304 1.00 0.00 C ATOM 257 OE1 GLU A 21 -1.885 -20.199 -8.467 1.00 0.00 O ATOM 258 OE2 GLU A 21 -1.937 -20.420 -6.251 1.00 0.00 O ATOM 0 H GLU A 21 -1.125 -17.849 -4.770 1.00 0.00 H new ATOM 0 HA GLU A 21 0.528 -16.061 -6.423 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.621 -17.096 -8.305 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.098 -18.322 -7.280 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.461 -17.981 -6.173 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.747 -17.830 -7.896 1.00 0.00 H new ATOM 265 N THR A 22 -1.942 -14.997 -5.111 1.00 0.00 N ATOM 266 CA THR A 22 -2.952 -13.958 -5.010 1.00 0.00 C ATOM 267 C THR A 22 -2.381 -12.725 -4.307 1.00 0.00 C ATOM 268 O THR A 22 -3.046 -11.695 -4.214 1.00 0.00 O ATOM 269 CB THR A 22 -4.172 -14.551 -4.303 1.00 0.00 C ATOM 270 OG1 THR A 22 -3.679 -14.931 -3.021 1.00 0.00 O ATOM 271 CG2 THR A 22 -4.631 -15.868 -4.931 1.00 0.00 C ATOM 0 H THR A 22 -1.611 -15.359 -4.216 1.00 0.00 H new ATOM 0 HA THR A 22 -3.266 -13.614 -5.996 1.00 0.00 H new ATOM 0 HB THR A 22 -4.991 -13.832 -4.329 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.406 -15.324 -2.494 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.499 -16.245 -4.391 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.897 -15.700 -5.975 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.824 -16.598 -4.875 1.00 0.00 H new ATOM 279 N GLN A 23 -1.154 -12.871 -3.829 1.00 0.00 N ATOM 280 CA GLN A 23 -0.486 -11.783 -3.137 1.00 0.00 C ATOM 281 C GLN A 23 0.540 -11.118 -4.058 1.00 0.00 C ATOM 282 O GLN A 23 1.051 -11.749 -4.982 1.00 0.00 O ATOM 283 CB GLN A 23 0.174 -12.276 -1.848 1.00 0.00 C ATOM 284 CG GLN A 23 -0.874 -12.776 -0.852 1.00 0.00 C ATOM 285 CD GLN A 23 -0.223 -13.593 0.266 1.00 0.00 C ATOM 286 OE1 GLN A 23 0.532 -14.523 0.032 1.00 0.00 O ATOM 287 NE2 GLN A 23 -0.556 -13.196 1.491 1.00 0.00 N ATOM 0 H GLN A 23 -0.605 -13.727 -3.908 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.235 -11.040 -2.862 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.875 -13.079 -2.078 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.751 -11.468 -1.399 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.408 -11.928 -0.424 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.612 -13.387 -1.371 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -1.194 -12.410 1.617 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.174 -13.678 2.305 1.00 0.00 H new ATOM 296 N LEU A 24 0.810 -9.853 -3.774 1.00 0.00 N ATOM 297 CA LEU A 24 1.765 -9.096 -4.565 1.00 0.00 C ATOM 298 C LEU A 24 3.074 -8.961 -3.784 1.00 0.00 C ATOM 299 O LEU A 24 3.060 -8.698 -2.583 1.00 0.00 O ATOM 300 CB LEU A 24 1.163 -7.755 -4.993 1.00 0.00 C ATOM 301 CG LEU A 24 0.115 -7.816 -6.106 1.00 0.00 C ATOM 302 CD1 LEU A 24 -0.225 -6.414 -6.615 1.00 0.00 C ATOM 303 CD2 LEU A 24 0.569 -8.741 -7.237 1.00 0.00 C ATOM 0 H LEU A 24 0.384 -9.333 -3.007 1.00 0.00 H new ATOM 0 HA LEU A 24 1.998 -9.624 -5.490 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.709 -7.287 -4.119 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.973 -7.103 -5.319 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.800 -8.240 -5.691 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.972 -6.485 -7.406 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.621 -5.815 -5.795 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.675 -5.941 -7.008 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.194 -8.766 -8.015 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.504 -8.370 -7.657 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.721 -9.747 -6.845 1.00 0.00 H new ATOM 315 N SER A 25 4.174 -9.146 -4.499 1.00 0.00 N ATOM 316 CA SER A 25 5.489 -9.049 -3.889 1.00 0.00 C ATOM 317 C SER A 25 6.158 -7.734 -4.295 1.00 0.00 C ATOM 318 O SER A 25 6.092 -7.333 -5.456 1.00 0.00 O ATOM 319 CB SER A 25 6.369 -10.236 -4.284 1.00 0.00 C ATOM 320 OG SER A 25 6.341 -10.478 -5.688 1.00 0.00 O ATOM 0 H SER A 25 4.181 -9.363 -5.496 1.00 0.00 H new ATOM 0 HA SER A 25 5.366 -9.068 -2.806 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.395 -10.047 -3.969 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.033 -11.128 -3.756 1.00 0.00 H new ATOM 0 HG SER A 25 6.917 -11.242 -5.900 1.00 0.00 H new ATOM 326 N PHE A 26 6.787 -7.100 -3.316 1.00 0.00 N ATOM 327 CA PHE A 26 7.468 -5.839 -3.557 1.00 0.00 C ATOM 328 C PHE A 26 8.697 -5.699 -2.657 1.00 0.00 C ATOM 329 O PHE A 26 8.935 -6.539 -1.790 1.00 0.00 O ATOM 330 CB PHE A 26 6.475 -4.724 -3.222 1.00 0.00 C ATOM 331 CG PHE A 26 5.526 -5.061 -2.070 1.00 0.00 C ATOM 332 CD1 PHE A 26 5.993 -5.101 -0.794 1.00 0.00 C ATOM 333 CD2 PHE A 26 4.215 -5.322 -2.323 1.00 0.00 C ATOM 334 CE1 PHE A 26 5.112 -5.414 0.275 1.00 0.00 C ATOM 335 CE2 PHE A 26 3.334 -5.634 -1.255 1.00 0.00 C ATOM 336 CZ PHE A 26 3.801 -5.674 0.022 1.00 0.00 C ATOM 0 H PHE A 26 6.839 -7.436 -2.354 1.00 0.00 H new ATOM 0 HA PHE A 26 7.802 -5.788 -4.593 1.00 0.00 H new ATOM 0 HB2 PHE A 26 7.030 -3.821 -2.969 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.885 -4.498 -4.110 1.00 0.00 H new ATOM 0 HD1 PHE A 26 7.034 -4.895 -0.593 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.845 -5.292 -3.337 1.00 0.00 H new ATOM 0 HE1 PHE A 26 5.483 -5.446 1.289 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.293 -5.840 -1.456 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.131 -5.912 0.835 1.00 0.00 H new ATOM 346 N LEU A 27 9.446 -4.632 -2.894 1.00 0.00 N ATOM 347 CA LEU A 27 10.645 -4.371 -2.116 1.00 0.00 C ATOM 348 C LEU A 27 10.449 -3.093 -1.299 1.00 0.00 C ATOM 349 O LEU A 27 9.810 -2.148 -1.760 1.00 0.00 O ATOM 350 CB LEU A 27 11.876 -4.338 -3.024 1.00 0.00 C ATOM 351 CG LEU A 27 12.825 -3.155 -2.823 1.00 0.00 C ATOM 352 CD1 LEU A 27 13.627 -3.308 -1.529 1.00 0.00 C ATOM 353 CD2 LEU A 27 13.733 -2.968 -4.041 1.00 0.00 C ATOM 0 H LEU A 27 9.246 -3.938 -3.614 1.00 0.00 H new ATOM 0 HA LEU A 27 10.823 -5.179 -1.407 1.00 0.00 H new ATOM 0 HB2 LEU A 27 12.439 -5.259 -2.874 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.539 -4.336 -4.060 1.00 0.00 H new ATOM 0 HG LEU A 27 12.226 -2.250 -2.725 1.00 0.00 H new ATOM 0 HD11 LEU A 27 14.293 -2.454 -1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 27 12.944 -3.355 -0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 27 14.216 -4.224 -1.572 1.00 0.00 H new ATOM 0 HD21 LEU A 27 14.398 -2.121 -3.873 1.00 0.00 H new ATOM 0 HD22 LEU A 27 14.326 -3.870 -4.195 1.00 0.00 H new ATOM 0 HD23 LEU A 27 13.123 -2.780 -4.924 1.00 0.00 H new ATOM 365 N ARG A 28 11.010 -3.104 -0.099 1.00 0.00 N ATOM 366 CA ARG A 28 10.905 -1.957 0.787 1.00 0.00 C ATOM 367 C ARG A 28 11.108 -0.659 0.002 1.00 0.00 C ATOM 368 O ARG A 28 12.163 -0.449 -0.595 1.00 0.00 O ATOM 369 CB ARG A 28 11.941 -2.032 1.911 1.00 0.00 C ATOM 370 CG ARG A 28 11.718 -0.920 2.937 1.00 0.00 C ATOM 371 CD ARG A 28 13.049 -0.432 3.514 1.00 0.00 C ATOM 372 NE ARG A 28 13.457 0.827 2.851 1.00 0.00 N ATOM 373 CZ ARG A 28 14.635 1.433 3.050 1.00 0.00 C ATOM 374 NH1 ARG A 28 15.529 0.900 3.894 1.00 0.00 N ATOM 375 NH2 ARG A 28 14.920 2.572 2.405 1.00 0.00 N ATOM 0 H ARG A 28 11.539 -3.889 0.281 1.00 0.00 H new ATOM 0 HA ARG A 28 9.907 -1.968 1.226 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.880 -3.003 2.403 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.944 -1.949 1.492 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.194 -0.087 2.468 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.081 -1.285 3.742 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.953 -0.272 4.588 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.817 -1.193 3.372 1.00 0.00 H new ATOM 0 HE ARG A 28 12.800 1.260 2.202 1.00 0.00 H new ATOM 0 HH11 ARG A 28 15.313 0.033 4.385 1.00 0.00 H new ATOM 0 HH12 ARG A 28 16.426 1.362 4.045 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.240 2.978 1.762 1.00 0.00 H new ATOM 0 HH22 ARG A 28 15.817 3.033 2.557 1.00 0.00 H new ATOM 389 N GLY A 29 10.081 0.177 0.028 1.00 0.00 N ATOM 390 CA GLY A 29 10.133 1.448 -0.674 1.00 0.00 C ATOM 391 C GLY A 29 9.236 1.428 -1.913 1.00 0.00 C ATOM 392 O GLY A 29 8.653 2.447 -2.279 1.00 0.00 O ATOM 0 H GLY A 29 9.208 -0.001 0.524 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.818 2.250 -0.006 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.160 1.663 -0.968 1.00 0.00 H new ATOM 396 N GLU A 30 9.154 0.256 -2.525 1.00 0.00 N ATOM 397 CA GLU A 30 8.338 0.089 -3.716 1.00 0.00 C ATOM 398 C GLU A 30 6.999 0.810 -3.547 1.00 0.00 C ATOM 399 O GLU A 30 6.329 0.651 -2.528 1.00 0.00 O ATOM 400 CB GLU A 30 8.127 -1.393 -4.033 1.00 0.00 C ATOM 401 CG GLU A 30 9.255 -1.931 -4.915 1.00 0.00 C ATOM 402 CD GLU A 30 8.744 -3.031 -5.848 1.00 0.00 C ATOM 403 OE1 GLU A 30 7.899 -2.699 -6.708 1.00 0.00 O ATOM 404 OE2 GLU A 30 9.209 -4.179 -5.680 1.00 0.00 O ATOM 0 H GLU A 30 9.639 -0.587 -2.219 1.00 0.00 H new ATOM 0 HA GLU A 30 8.865 0.535 -4.559 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.082 -1.964 -3.106 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.170 -1.528 -4.537 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.680 -1.118 -5.504 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.056 -2.324 -4.288 1.00 0.00 H new ATOM 411 N LYS A 31 6.650 1.587 -4.562 1.00 0.00 N ATOM 412 CA LYS A 31 5.403 2.333 -4.538 1.00 0.00 C ATOM 413 C LYS A 31 4.245 1.392 -4.878 1.00 0.00 C ATOM 414 O LYS A 31 4.053 1.031 -6.038 1.00 0.00 O ATOM 415 CB LYS A 31 5.492 3.554 -5.455 1.00 0.00 C ATOM 416 CG LYS A 31 6.024 4.772 -4.697 1.00 0.00 C ATOM 417 CD LYS A 31 7.552 4.745 -4.620 1.00 0.00 C ATOM 418 CE LYS A 31 8.050 5.441 -3.351 1.00 0.00 C ATOM 419 NZ LYS A 31 8.587 6.782 -3.672 1.00 0.00 N ATOM 0 H LYS A 31 7.208 1.716 -5.406 1.00 0.00 H new ATOM 0 HA LYS A 31 5.213 2.726 -3.539 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.145 3.333 -6.299 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.507 3.778 -5.865 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.697 5.685 -5.194 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.606 4.790 -3.691 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.902 3.713 -4.634 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.973 5.236 -5.497 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.233 5.532 -2.635 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.824 4.837 -2.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.920 7.240 -2.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.380 6.688 -4.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.839 7.361 -4.103 1.00 0.00 H new ATOM 433 N ILE A 32 3.503 1.023 -3.844 1.00 0.00 N ATOM 434 CA ILE A 32 2.368 0.131 -4.018 1.00 0.00 C ATOM 435 C ILE A 32 1.090 0.960 -4.155 1.00 0.00 C ATOM 436 O ILE A 32 0.870 1.899 -3.390 1.00 0.00 O ATOM 437 CB ILE A 32 2.317 -0.897 -2.887 1.00 0.00 C ATOM 438 CG1 ILE A 32 3.720 -1.397 -2.535 1.00 0.00 C ATOM 439 CG2 ILE A 32 1.369 -2.047 -3.234 1.00 0.00 C ATOM 440 CD1 ILE A 32 4.254 -2.338 -3.616 1.00 0.00 C ATOM 0 H ILE A 32 3.665 1.325 -2.883 1.00 0.00 H new ATOM 0 HA ILE A 32 2.473 -0.446 -4.937 1.00 0.00 H new ATOM 0 HB ILE A 32 1.918 -0.407 -1.999 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.394 -0.548 -2.421 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.695 -1.915 -1.576 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.351 -2.764 -2.413 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.365 -1.655 -3.395 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.715 -2.543 -4.141 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.252 -2.679 -3.341 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.590 -3.198 -3.710 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.300 -1.809 -4.568 1.00 0.00 H new ATOM 452 N LEU A 33 0.280 0.584 -5.133 1.00 0.00 N ATOM 453 CA LEU A 33 -0.971 1.281 -5.379 1.00 0.00 C ATOM 454 C LEU A 33 -2.096 0.590 -4.606 1.00 0.00 C ATOM 455 O LEU A 33 -2.244 -0.629 -4.677 1.00 0.00 O ATOM 456 CB LEU A 33 -1.236 1.392 -6.882 1.00 0.00 C ATOM 457 CG LEU A 33 -1.557 2.793 -7.405 1.00 0.00 C ATOM 458 CD1 LEU A 33 -2.726 3.411 -6.636 1.00 0.00 C ATOM 459 CD2 LEU A 33 -0.316 3.687 -7.376 1.00 0.00 C ATOM 0 H LEU A 33 0.466 -0.195 -5.765 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.914 2.306 -5.012 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.360 1.019 -7.414 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.067 0.733 -7.134 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.867 2.706 -8.446 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.933 4.407 -7.028 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.610 2.784 -6.752 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.469 3.483 -5.579 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.572 4.677 -7.753 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.048 3.771 -6.352 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.462 3.250 -8.002 1.00 0.00 H new ATOM 471 N ILE A 34 -2.859 1.399 -3.886 1.00 0.00 N ATOM 472 CA ILE A 34 -3.966 0.880 -3.100 1.00 0.00 C ATOM 473 C ILE A 34 -5.286 1.265 -3.771 1.00 0.00 C ATOM 474 O ILE A 34 -5.787 2.371 -3.576 1.00 0.00 O ATOM 475 CB ILE A 34 -3.856 1.346 -1.647 1.00 0.00 C ATOM 476 CG1 ILE A 34 -2.487 0.994 -1.061 1.00 0.00 C ATOM 477 CG2 ILE A 34 -5.002 0.785 -0.803 1.00 0.00 C ATOM 478 CD1 ILE A 34 -2.101 -0.447 -1.396 1.00 0.00 C ATOM 0 H ILE A 34 -2.733 2.410 -3.830 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.931 -0.209 -3.065 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.945 2.432 -1.629 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.733 1.677 -1.453 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.505 1.127 0.021 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.900 1.131 0.225 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.954 1.128 -1.208 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.970 -0.304 -0.824 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.124 -0.671 -0.968 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.844 -1.128 -0.981 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.060 -0.570 -2.478 1.00 0.00 H new ATOM 490 N LEU A 35 -5.813 0.330 -4.548 1.00 0.00 N ATOM 491 CA LEU A 35 -7.065 0.557 -5.249 1.00 0.00 C ATOM 492 C LEU A 35 -8.210 0.610 -4.235 1.00 0.00 C ATOM 493 O LEU A 35 -8.842 1.650 -4.061 1.00 0.00 O ATOM 494 CB LEU A 35 -7.263 -0.491 -6.346 1.00 0.00 C ATOM 495 CG LEU A 35 -6.163 -0.568 -7.407 1.00 0.00 C ATOM 496 CD1 LEU A 35 -5.536 0.807 -7.646 1.00 0.00 C ATOM 497 CD2 LEU A 35 -5.115 -1.619 -7.035 1.00 0.00 C ATOM 0 H LEU A 35 -5.395 -0.587 -4.707 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.046 1.520 -5.760 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.354 -1.469 -5.874 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.210 -0.289 -6.847 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.616 -0.884 -8.347 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.757 0.725 -8.404 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.303 1.502 -7.987 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.100 1.175 -6.717 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.345 -1.653 -7.806 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.661 -1.357 -6.079 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.592 -2.596 -6.955 1.00 0.00 H new ATOM 509 N ARG A 36 -8.441 -0.526 -3.592 1.00 0.00 N ATOM 510 CA ARG A 36 -9.498 -0.622 -2.600 1.00 0.00 C ATOM 511 C ARG A 36 -8.980 -1.315 -1.338 1.00 0.00 C ATOM 512 O ARG A 36 -7.803 -1.661 -1.254 1.00 0.00 O ATOM 513 CB ARG A 36 -10.696 -1.401 -3.146 1.00 0.00 C ATOM 514 CG ARG A 36 -12.010 -0.839 -2.601 1.00 0.00 C ATOM 515 CD ARG A 36 -12.796 -0.118 -3.699 1.00 0.00 C ATOM 516 NE ARG A 36 -13.518 1.040 -3.127 1.00 0.00 N ATOM 517 CZ ARG A 36 -14.596 0.939 -2.337 1.00 0.00 C ATOM 518 NH1 ARG A 36 -15.082 -0.269 -2.020 1.00 0.00 N ATOM 519 NH2 ARG A 36 -15.186 2.044 -1.864 1.00 0.00 N ATOM 0 H ARG A 36 -7.914 -1.387 -3.739 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.818 0.391 -2.357 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.700 -1.353 -4.235 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -10.605 -2.452 -2.874 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -12.613 -1.648 -2.189 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.803 -0.148 -1.784 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.117 0.217 -4.483 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.504 -0.805 -4.162 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.173 1.974 -3.348 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -14.632 -1.110 -2.380 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -15.902 -0.347 -1.419 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.815 2.963 -2.105 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.006 1.967 -1.263 1.00 0.00 H new ATOM 533 N GLN A 37 -9.885 -1.498 -0.388 1.00 0.00 N ATOM 534 CA GLN A 37 -9.535 -2.143 0.866 1.00 0.00 C ATOM 535 C GLN A 37 -10.546 -3.242 1.198 1.00 0.00 C ATOM 536 O GLN A 37 -11.671 -2.954 1.603 1.00 0.00 O ATOM 537 CB GLN A 37 -9.443 -1.122 2.001 1.00 0.00 C ATOM 538 CG GLN A 37 -8.365 -0.075 1.712 1.00 0.00 C ATOM 539 CD GLN A 37 -8.553 1.163 2.590 1.00 0.00 C ATOM 540 OE1 GLN A 37 -9.650 1.502 3.003 1.00 0.00 O ATOM 541 NE2 GLN A 37 -7.425 1.818 2.851 1.00 0.00 N ATOM 0 H GLN A 37 -10.861 -1.211 -0.462 1.00 0.00 H new ATOM 0 HA GLN A 37 -8.553 -2.602 0.754 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -10.407 -0.630 2.131 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -9.217 -1.633 2.937 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.379 -0.505 1.889 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.404 0.211 0.661 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.540 1.480 2.474 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.445 2.658 3.429 1.00 0.00 H new ATOM 550 N THR A 38 -10.108 -4.479 1.013 1.00 0.00 N ATOM 551 CA THR A 38 -10.961 -5.623 1.288 1.00 0.00 C ATOM 552 C THR A 38 -11.802 -5.373 2.541 1.00 0.00 C ATOM 553 O THR A 38 -13.025 -5.265 2.461 1.00 0.00 O ATOM 554 CB THR A 38 -10.070 -6.863 1.391 1.00 0.00 C ATOM 555 OG1 THR A 38 -9.251 -6.800 0.228 1.00 0.00 O ATOM 556 CG2 THR A 38 -10.857 -8.165 1.223 1.00 0.00 C ATOM 0 H THR A 38 -9.174 -4.714 0.676 1.00 0.00 H new ATOM 0 HA THR A 38 -11.677 -5.785 0.482 1.00 0.00 H new ATOM 0 HB THR A 38 -9.564 -6.867 2.356 1.00 0.00 H new ATOM 0 HG1 THR A 38 -8.702 -7.610 0.170 1.00 0.00 H new ATOM 0 HG21 THR A 38 -10.178 -9.014 1.305 1.00 0.00 H new ATOM 0 HG22 THR A 38 -11.618 -8.233 2.000 1.00 0.00 H new ATOM 0 HG23 THR A 38 -11.336 -8.177 0.244 1.00 0.00 H new ATOM 564 N THR A 39 -11.113 -5.288 3.670 1.00 0.00 N ATOM 565 CA THR A 39 -11.781 -5.052 4.938 1.00 0.00 C ATOM 566 C THR A 39 -11.048 -3.972 5.735 1.00 0.00 C ATOM 567 O THR A 39 -11.659 -3.004 6.185 1.00 0.00 O ATOM 568 CB THR A 39 -11.881 -6.389 5.676 1.00 0.00 C ATOM 569 OG1 THR A 39 -10.531 -6.838 5.764 1.00 0.00 O ATOM 570 CG2 THR A 39 -12.578 -7.467 4.844 1.00 0.00 C ATOM 0 H THR A 39 -10.099 -5.378 3.732 1.00 0.00 H new ATOM 0 HA THR A 39 -12.791 -4.671 4.787 1.00 0.00 H new ATOM 0 HB THR A 39 -12.421 -6.247 6.612 1.00 0.00 H new ATOM 0 HG1 THR A 39 -10.502 -7.699 6.231 1.00 0.00 H new ATOM 0 HG21 THR A 39 -12.622 -8.395 5.414 1.00 0.00 H new ATOM 0 HG22 THR A 39 -13.590 -7.142 4.601 1.00 0.00 H new ATOM 0 HG23 THR A 39 -12.019 -7.634 3.923 1.00 0.00 H new ATOM 578 N ALA A 40 -9.747 -4.173 5.885 1.00 0.00 N ATOM 579 CA ALA A 40 -8.923 -3.228 6.619 1.00 0.00 C ATOM 580 C ALA A 40 -7.502 -3.783 6.741 1.00 0.00 C ATOM 581 O ALA A 40 -6.532 -3.028 6.698 1.00 0.00 O ATOM 582 CB ALA A 40 -9.558 -2.949 7.983 1.00 0.00 C ATOM 0 H ALA A 40 -9.243 -4.977 5.510 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.862 -2.279 6.087 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.940 -2.240 8.534 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.554 -2.529 7.842 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.633 -3.879 8.546 1.00 0.00 H new ATOM 588 N ASP A 41 -7.425 -5.097 6.889 1.00 0.00 N ATOM 589 CA ASP A 41 -6.140 -5.762 7.017 1.00 0.00 C ATOM 590 C ASP A 41 -5.637 -6.161 5.629 1.00 0.00 C ATOM 591 O ASP A 41 -4.434 -6.148 5.373 1.00 0.00 O ATOM 592 CB ASP A 41 -6.258 -7.032 7.861 1.00 0.00 C ATOM 593 CG ASP A 41 -5.631 -6.944 9.254 1.00 0.00 C ATOM 594 OD1 ASP A 41 -4.800 -6.031 9.446 1.00 0.00 O ATOM 595 OD2 ASP A 41 -5.998 -7.792 10.096 1.00 0.00 O ATOM 0 H ASP A 41 -8.232 -5.719 6.923 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.450 -5.071 7.501 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -7.314 -7.281 7.969 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.790 -7.854 7.320 1.00 0.00 H new ATOM 600 N TRP A 42 -6.583 -6.507 4.768 1.00 0.00 N ATOM 601 CA TRP A 42 -6.251 -6.910 3.412 1.00 0.00 C ATOM 602 C TRP A 42 -6.694 -5.792 2.466 1.00 0.00 C ATOM 603 O TRP A 42 -7.863 -5.409 2.455 1.00 0.00 O ATOM 604 CB TRP A 42 -6.878 -8.263 3.073 1.00 0.00 C ATOM 605 CG TRP A 42 -6.300 -9.434 3.871 1.00 0.00 C ATOM 606 CD1 TRP A 42 -6.765 -9.968 5.008 1.00 0.00 C ATOM 607 CD2 TRP A 42 -5.121 -10.199 3.542 1.00 0.00 C ATOM 608 NE1 TRP A 42 -5.976 -11.016 5.435 1.00 0.00 N ATOM 609 CE2 TRP A 42 -4.945 -11.162 4.515 1.00 0.00 C ATOM 610 CE3 TRP A 42 -4.233 -10.082 2.458 1.00 0.00 C ATOM 611 CZ2 TRP A 42 -3.889 -12.081 4.502 1.00 0.00 C ATOM 612 CZ3 TRP A 42 -3.183 -11.008 2.459 1.00 0.00 C ATOM 613 CH2 TRP A 42 -2.992 -11.983 3.431 1.00 0.00 C ATOM 0 H TRP A 42 -7.580 -6.517 4.983 1.00 0.00 H new ATOM 0 HA TRP A 42 -5.176 -7.053 3.304 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.952 -8.209 3.252 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -6.742 -8.459 2.009 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -7.647 -9.621 5.526 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -6.123 -11.580 6.272 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -4.352 -9.337 1.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.772 -12.825 5.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -2.472 -10.961 1.648 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -2.155 -12.662 3.361 1.00 0.00 H new ATOM 624 N TRP A 43 -5.736 -5.301 1.693 1.00 0.00 N ATOM 625 CA TRP A 43 -6.012 -4.235 0.745 1.00 0.00 C ATOM 626 C TRP A 43 -5.821 -4.795 -0.665 1.00 0.00 C ATOM 627 O TRP A 43 -5.024 -5.709 -0.871 1.00 0.00 O ATOM 628 CB TRP A 43 -5.138 -3.011 1.026 1.00 0.00 C ATOM 629 CG TRP A 43 -5.411 -2.347 2.377 1.00 0.00 C ATOM 630 CD1 TRP A 43 -6.340 -2.676 3.285 1.00 0.00 C ATOM 631 CD2 TRP A 43 -4.706 -1.221 2.939 1.00 0.00 C ATOM 632 NE1 TRP A 43 -6.286 -1.847 4.387 1.00 0.00 N ATOM 633 CE2 TRP A 43 -5.261 -0.934 4.170 1.00 0.00 C ATOM 634 CE3 TRP A 43 -3.635 -0.468 2.425 1.00 0.00 C ATOM 635 CZ2 TRP A 43 -4.811 0.108 4.990 1.00 0.00 C ATOM 636 CZ3 TRP A 43 -3.197 0.570 3.257 1.00 0.00 C ATOM 637 CH2 TRP A 43 -3.745 0.871 4.498 1.00 0.00 C ATOM 0 H TRP A 43 -4.768 -5.622 1.704 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.040 -3.887 0.845 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.090 -3.309 0.984 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -5.293 -2.278 0.235 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.043 -3.488 3.169 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.888 -1.895 5.209 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.186 -0.674 1.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.262 0.312 5.950 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.376 1.179 2.910 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.350 1.690 5.081 1.00 0.00 H new ATOM 648 N TRP A 44 -6.566 -4.224 -1.601 1.00 0.00 N ATOM 649 CA TRP A 44 -6.488 -4.655 -2.986 1.00 0.00 C ATOM 650 C TRP A 44 -5.604 -3.662 -3.742 1.00 0.00 C ATOM 651 O TRP A 44 -6.026 -2.542 -4.028 1.00 0.00 O ATOM 652 CB TRP A 44 -7.885 -4.796 -3.595 1.00 0.00 C ATOM 653 CG TRP A 44 -7.882 -5.224 -5.065 1.00 0.00 C ATOM 654 CD1 TRP A 44 -8.039 -4.452 -6.148 1.00 0.00 C ATOM 655 CD2 TRP A 44 -7.707 -6.564 -5.570 1.00 0.00 C ATOM 656 NE1 TRP A 44 -7.979 -5.193 -7.311 1.00 0.00 N ATOM 657 CE2 TRP A 44 -7.770 -6.519 -6.948 1.00 0.00 C ATOM 658 CE3 TRP A 44 -7.502 -7.775 -4.885 1.00 0.00 C ATOM 659 CZ2 TRP A 44 -7.638 -7.652 -7.759 1.00 0.00 C ATOM 660 CZ3 TRP A 44 -7.372 -8.898 -5.711 1.00 0.00 C ATOM 661 CH2 TRP A 44 -7.433 -8.869 -7.099 1.00 0.00 C ATOM 0 H TRP A 44 -7.226 -3.466 -1.427 1.00 0.00 H new ATOM 0 HA TRP A 44 -6.038 -5.645 -3.057 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -8.451 -5.526 -3.016 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -8.407 -3.843 -3.505 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -8.193 -3.384 -6.115 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -8.071 -4.834 -8.261 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -7.449 -7.834 -3.808 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -7.691 -7.590 -8.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -7.213 -9.855 -5.236 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -7.323 -9.782 -7.666 1.00 0.00 H new ATOM 672 N GLY A 45 -4.393 -4.107 -4.044 1.00 0.00 N ATOM 673 CA GLY A 45 -3.445 -3.270 -4.761 1.00 0.00 C ATOM 674 C GLY A 45 -3.364 -3.674 -6.234 1.00 0.00 C ATOM 675 O GLY A 45 -4.224 -4.398 -6.732 1.00 0.00 O ATOM 0 H GLY A 45 -4.046 -5.036 -3.805 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.745 -2.225 -4.683 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.460 -3.354 -4.302 1.00 0.00 H new ATOM 679 N GLU A 46 -2.321 -3.187 -6.891 1.00 0.00 N ATOM 680 CA GLU A 46 -2.116 -3.488 -8.298 1.00 0.00 C ATOM 681 C GLU A 46 -0.640 -3.321 -8.666 1.00 0.00 C ATOM 682 O GLU A 46 -0.078 -2.237 -8.517 1.00 0.00 O ATOM 683 CB GLU A 46 -3.004 -2.610 -9.181 1.00 0.00 C ATOM 684 CG GLU A 46 -2.408 -2.460 -10.582 1.00 0.00 C ATOM 685 CD GLU A 46 -3.509 -2.298 -11.632 1.00 0.00 C ATOM 686 OE1 GLU A 46 -4.544 -1.692 -11.281 1.00 0.00 O ATOM 687 OE2 GLU A 46 -3.290 -2.784 -12.763 1.00 0.00 O ATOM 0 H GLU A 46 -1.609 -2.586 -6.475 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.399 -4.526 -8.473 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.000 -3.048 -9.251 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -3.119 -1.627 -8.724 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.745 -1.595 -10.608 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.801 -3.334 -10.818 1.00 0.00 H new ATOM 694 N ARG A 47 -0.055 -4.411 -9.141 1.00 0.00 N ATOM 695 CA ARG A 47 1.344 -4.399 -9.532 1.00 0.00 C ATOM 696 C ARG A 47 1.478 -4.037 -11.013 1.00 0.00 C ATOM 697 O ARG A 47 0.494 -3.682 -11.660 1.00 0.00 O ATOM 698 CB ARG A 47 1.996 -5.761 -9.286 1.00 0.00 C ATOM 699 CG ARG A 47 2.690 -5.798 -7.923 1.00 0.00 C ATOM 700 CD ARG A 47 4.150 -5.354 -8.039 1.00 0.00 C ATOM 701 NE ARG A 47 4.219 -3.975 -8.572 1.00 0.00 N ATOM 702 CZ ARG A 47 3.850 -2.885 -7.886 1.00 0.00 C ATOM 703 NH1 ARG A 47 3.383 -3.006 -6.636 1.00 0.00 N ATOM 704 NH2 ARG A 47 3.947 -1.674 -8.451 1.00 0.00 N ATOM 0 H ARG A 47 -0.525 -5.308 -9.264 1.00 0.00 H new ATOM 0 HA ARG A 47 1.852 -3.650 -8.924 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.240 -6.544 -9.334 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.721 -5.969 -10.073 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.163 -5.148 -7.225 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.644 -6.808 -7.515 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.631 -5.400 -7.062 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.694 -6.034 -8.695 1.00 0.00 H new ATOM 0 HE ARG A 47 4.570 -3.846 -9.521 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.308 -3.928 -6.206 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.102 -2.176 -6.114 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.302 -1.582 -9.403 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.666 -0.844 -7.929 1.00 0.00 H new ATOM 718 N ALA A 48 2.704 -4.138 -11.505 1.00 0.00 N ATOM 719 CA ALA A 48 2.980 -3.826 -12.897 1.00 0.00 C ATOM 720 C ALA A 48 2.172 -4.764 -13.796 1.00 0.00 C ATOM 721 O ALA A 48 2.538 -5.925 -13.975 1.00 0.00 O ATOM 722 CB ALA A 48 4.485 -3.925 -13.155 1.00 0.00 C ATOM 0 H ALA A 48 3.518 -4.432 -10.964 1.00 0.00 H new ATOM 0 HA ALA A 48 2.676 -2.805 -13.128 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.691 -3.691 -14.199 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.011 -3.218 -12.514 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.826 -4.937 -12.936 1.00 0.00 H new ATOM 728 N GLY A 49 1.088 -4.227 -14.336 1.00 0.00 N ATOM 729 CA GLY A 49 0.226 -5.002 -15.212 1.00 0.00 C ATOM 730 C GLY A 49 -0.376 -6.197 -14.470 1.00 0.00 C ATOM 731 O GLY A 49 -0.987 -7.070 -15.085 1.00 0.00 O ATOM 0 H GLY A 49 0.787 -3.264 -14.184 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.573 -4.368 -15.596 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.796 -5.353 -16.072 1.00 0.00 H new ATOM 735 N CYS A 50 -0.182 -6.199 -13.160 1.00 0.00 N ATOM 736 CA CYS A 50 -0.698 -7.273 -12.328 1.00 0.00 C ATOM 737 C CYS A 50 -1.754 -6.688 -11.388 1.00 0.00 C ATOM 738 O CYS A 50 -1.835 -5.472 -11.220 1.00 0.00 O ATOM 739 CB CYS A 50 0.421 -7.981 -11.561 1.00 0.00 C ATOM 740 SG CYS A 50 0.974 -9.460 -12.484 1.00 0.00 S ATOM 0 H CYS A 50 0.326 -5.474 -12.653 1.00 0.00 H new ATOM 0 HA CYS A 50 -1.157 -8.036 -12.957 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.259 -7.300 -11.413 1.00 0.00 H new ATOM 0 HB3 CYS A 50 0.068 -8.271 -10.571 1.00 0.00 H new ATOM 0 HG CYS A 50 1.926 -10.052 -11.825 1.00 0.00 H new ATOM 746 N CYS A 51 -2.536 -7.581 -10.800 1.00 0.00 N ATOM 747 CA CYS A 51 -3.583 -7.169 -9.881 1.00 0.00 C ATOM 748 C CYS A 51 -3.764 -8.270 -8.834 1.00 0.00 C ATOM 749 O CYS A 51 -4.220 -9.366 -9.153 1.00 0.00 O ATOM 750 CB CYS A 51 -4.889 -6.859 -10.615 1.00 0.00 C ATOM 751 SG CYS A 51 -4.543 -5.883 -12.124 1.00 0.00 S ATOM 0 H CYS A 51 -2.465 -8.589 -10.942 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.292 -6.243 -9.386 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.396 -7.787 -10.880 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -5.561 -6.305 -9.960 1.00 0.00 H new ATOM 0 HG CYS A 51 -3.440 -5.214 -11.965 1.00 0.00 H new ATOM 757 N GLY A 52 -3.398 -7.939 -7.604 1.00 0.00 N ATOM 758 CA GLY A 52 -3.514 -8.886 -6.508 1.00 0.00 C ATOM 759 C GLY A 52 -3.797 -8.165 -5.189 1.00 0.00 C ATOM 760 O GLY A 52 -3.953 -6.945 -5.165 1.00 0.00 O ATOM 0 H GLY A 52 -3.021 -7.028 -7.342 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.315 -9.595 -6.718 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.593 -9.462 -6.421 1.00 0.00 H new ATOM 764 N TYR A 53 -3.853 -8.950 -4.123 1.00 0.00 N ATOM 765 CA TYR A 53 -4.114 -8.402 -2.803 1.00 0.00 C ATOM 766 C TYR A 53 -2.815 -7.960 -2.126 1.00 0.00 C ATOM 767 O TYR A 53 -1.725 -8.259 -2.611 1.00 0.00 O ATOM 768 CB TYR A 53 -4.738 -9.538 -1.990 1.00 0.00 C ATOM 769 CG TYR A 53 -6.242 -9.712 -2.216 1.00 0.00 C ATOM 770 CD1 TYR A 53 -7.138 -8.902 -1.548 1.00 0.00 C ATOM 771 CD2 TYR A 53 -6.702 -10.678 -3.088 1.00 0.00 C ATOM 772 CE1 TYR A 53 -8.553 -9.066 -1.760 1.00 0.00 C ATOM 773 CE2 TYR A 53 -8.116 -10.841 -3.300 1.00 0.00 C ATOM 774 CZ TYR A 53 -8.972 -10.027 -2.626 1.00 0.00 C ATOM 775 OH TYR A 53 -10.308 -10.181 -2.826 1.00 0.00 O ATOM 0 H TYR A 53 -3.722 -9.961 -4.147 1.00 0.00 H new ATOM 0 HA TYR A 53 -4.765 -7.531 -2.871 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -4.233 -10.471 -2.241 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -4.559 -9.354 -0.931 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.778 -8.145 -0.867 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -6.001 -11.311 -3.611 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -9.265 -8.440 -1.243 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -8.489 -11.593 -3.979 1.00 0.00 H new ATOM 0 HH TYR A 53 -10.461 -10.903 -3.470 1.00 0.00 H new ATOM 785 N ILE A 54 -2.974 -7.256 -1.015 1.00 0.00 N ATOM 786 CA ILE A 54 -1.828 -6.770 -0.266 1.00 0.00 C ATOM 787 C ILE A 54 -2.248 -6.494 1.179 1.00 0.00 C ATOM 788 O ILE A 54 -3.386 -6.104 1.435 1.00 0.00 O ATOM 789 CB ILE A 54 -1.203 -5.562 -0.967 1.00 0.00 C ATOM 790 CG1 ILE A 54 -2.282 -4.622 -1.506 1.00 0.00 C ATOM 791 CG2 ILE A 54 -0.230 -6.006 -2.062 1.00 0.00 C ATOM 792 CD1 ILE A 54 -1.734 -3.206 -1.690 1.00 0.00 C ATOM 0 H ILE A 54 -3.880 -7.010 -0.615 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.046 -7.529 -0.231 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.626 -5.001 -0.232 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.654 -4.998 -2.459 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.128 -4.602 -0.819 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.200 -5.128 -2.544 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.567 -6.604 -1.620 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.763 -6.602 -2.803 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.522 -2.558 -2.074 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.385 -2.823 -0.731 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.904 -3.226 -2.396 1.00 0.00 H new ATOM 804 N PRO A 55 -1.281 -6.712 2.110 1.00 0.00 N ATOM 805 CA PRO A 55 -1.539 -6.490 3.523 1.00 0.00 C ATOM 806 C PRO A 55 -1.563 -4.995 3.848 1.00 0.00 C ATOM 807 O PRO A 55 -1.067 -4.179 3.072 1.00 0.00 O ATOM 808 CB PRO A 55 -0.431 -7.237 4.247 1.00 0.00 C ATOM 809 CG PRO A 55 0.665 -7.459 3.217 1.00 0.00 C ATOM 810 CD PRO A 55 0.079 -7.173 1.844 1.00 0.00 C ATOM 0 HA PRO A 55 -2.518 -6.856 3.834 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -0.060 -6.660 5.094 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.793 -8.186 4.642 1.00 0.00 H new ATOM 0 HG2 PRO A 55 1.513 -6.803 3.414 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.035 -8.483 3.268 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.658 -6.415 1.316 1.00 0.00 H new ATOM 0 HD3 PRO A 55 0.079 -8.066 1.219 1.00 0.00 H new ATOM 818 N ALA A 56 -2.145 -4.681 4.996 1.00 0.00 N ATOM 819 CA ALA A 56 -2.240 -3.299 5.433 1.00 0.00 C ATOM 820 C ALA A 56 -1.166 -3.026 6.488 1.00 0.00 C ATOM 821 O ALA A 56 -1.301 -2.108 7.294 1.00 0.00 O ATOM 822 CB ALA A 56 -3.652 -3.025 5.955 1.00 0.00 C ATOM 0 H ALA A 56 -2.555 -5.360 5.637 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.062 -2.620 4.599 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.724 -1.988 6.283 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.375 -3.205 5.160 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.864 -3.687 6.795 1.00 0.00 H new ATOM 828 N ASN A 57 -0.122 -3.842 6.447 1.00 0.00 N ATOM 829 CA ASN A 57 0.975 -3.700 7.389 1.00 0.00 C ATOM 830 C ASN A 57 2.281 -3.494 6.618 1.00 0.00 C ATOM 831 O ASN A 57 3.073 -2.615 6.955 1.00 0.00 O ATOM 832 CB ASN A 57 1.128 -4.956 8.249 1.00 0.00 C ATOM 833 CG ASN A 57 0.069 -4.998 9.352 1.00 0.00 C ATOM 834 OD1 ASN A 57 0.030 -4.166 10.243 1.00 0.00 O ATOM 835 ND2 ASN A 57 -0.787 -6.010 9.242 1.00 0.00 N ATOM 0 H ASN A 57 -0.013 -4.603 5.777 1.00 0.00 H new ATOM 0 HA ASN A 57 0.759 -2.846 8.031 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.040 -5.843 7.622 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.123 -4.977 8.694 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.532 -6.124 9.929 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.698 -6.672 8.471 1.00 0.00 H new ATOM 842 N HIS A 58 2.464 -4.318 5.597 1.00 0.00 N ATOM 843 CA HIS A 58 3.660 -4.237 4.775 1.00 0.00 C ATOM 844 C HIS A 58 3.810 -2.816 4.227 1.00 0.00 C ATOM 845 O HIS A 58 4.920 -2.376 3.930 1.00 0.00 O ATOM 846 CB HIS A 58 3.634 -5.297 3.672 1.00 0.00 C ATOM 847 CG HIS A 58 3.795 -6.712 4.177 1.00 0.00 C ATOM 848 ND1 HIS A 58 4.220 -7.006 5.461 1.00 0.00 N ATOM 849 CD2 HIS A 58 3.582 -7.908 3.558 1.00 0.00 C ATOM 850 CE1 HIS A 58 4.259 -8.323 5.597 1.00 0.00 C ATOM 851 NE2 HIS A 58 3.863 -8.881 4.417 1.00 0.00 N ATOM 0 H HIS A 58 1.804 -5.045 5.320 1.00 0.00 H new ATOM 0 HA HIS A 58 4.539 -4.450 5.383 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.691 -5.220 3.130 1.00 0.00 H new ATOM 0 HB3 HIS A 58 4.430 -5.084 2.958 1.00 0.00 H new ATOM 0 HD2 HIS A 58 3.242 -8.041 2.542 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.553 -8.861 6.486 1.00 0.00 H new ATOM 0 HE2 HIS A 58 3.794 -9.881 4.226 1.00 0.00 H new ATOM 859 N VAL A 59 2.678 -2.138 4.110 1.00 0.00 N ATOM 860 CA VAL A 59 2.670 -0.776 3.604 1.00 0.00 C ATOM 861 C VAL A 59 2.027 0.146 4.641 1.00 0.00 C ATOM 862 O VAL A 59 1.130 -0.269 5.375 1.00 0.00 O ATOM 863 CB VAL A 59 1.969 -0.728 2.245 1.00 0.00 C ATOM 864 CG1 VAL A 59 2.824 -1.390 1.163 1.00 0.00 C ATOM 865 CG2 VAL A 59 0.583 -1.372 2.319 1.00 0.00 C ATOM 0 H VAL A 59 1.760 -2.507 4.357 1.00 0.00 H new ATOM 0 HA VAL A 59 3.688 -0.422 3.443 1.00 0.00 H new ATOM 0 HB VAL A 59 1.837 0.319 1.974 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.302 -1.342 0.207 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.777 -0.868 1.083 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.002 -2.432 1.427 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.107 -1.324 1.340 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.682 -2.414 2.624 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.028 -0.837 3.046 1.00 0.00 H new