USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 558 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -1.14 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 HIS : no HD1:sc= -8.32! C(o=-8.3!,f=-9.7!) USER MOD Single : A 18 THR OG1 : rot 180:sc=-0.00868 USER MOD Single : A 23 THR OG1 : rot 158:sc= 0.277 USER MOD Single : A 26 THR OG1 : rot -130:sc= -0.0739 USER MOD Single : A 28 CYS SG : rot -150:sc= -6.67! USER MOD Single : A 35 CYS SG : rot 76:sc= -6.68! USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= -0.0134 (180deg=-0.0134) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HE2:sc= -0.206 K(o=-0.21,f=-6.8!) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 98:sc= 1.12 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 62 MET CE :methyl -121:sc= -8.46! (180deg=-11.7!) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 76 N MET A 4 -3.597 -1.655 -11.501 1.00 0.00 N ATOM 77 CA MET A 4 -2.691 -2.531 -10.766 1.00 0.00 C ATOM 78 C MET A 4 -3.219 -2.775 -9.354 1.00 0.00 C ATOM 79 O MET A 4 -4.410 -2.605 -9.093 1.00 0.00 O ATOM 80 CB MET A 4 -1.285 -1.925 -10.712 1.00 0.00 C ATOM 81 CG MET A 4 -0.715 -1.573 -12.076 1.00 0.00 C ATOM 82 SD MET A 4 1.038 -1.964 -12.220 1.00 0.00 S ATOM 83 CE MET A 4 1.152 -2.389 -13.956 1.00 0.00 C ATOM 0 HA MET A 4 -2.635 -3.487 -11.287 1.00 0.00 H new ATOM 0 HB2 MET A 4 -1.311 -1.026 -10.096 1.00 0.00 H new ATOM 0 HB3 MET A 4 -0.615 -2.629 -10.219 1.00 0.00 H new ATOM 0 HG2 MET A 4 -1.267 -2.112 -12.846 1.00 0.00 H new ATOM 0 HG3 MET A 4 -0.862 -0.509 -12.263 1.00 0.00 H new ATOM 0 HE1 MET A 4 2.181 -2.655 -14.199 1.00 0.00 H new ATOM 0 HE2 MET A 4 0.499 -3.236 -14.167 1.00 0.00 H new ATOM 0 HE3 MET A 4 0.846 -1.535 -14.560 1.00 0.00 H new ATOM 93 N PHE A 5 -2.337 -3.189 -8.448 1.00 0.00 N ATOM 94 CA PHE A 5 -2.735 -3.468 -7.076 1.00 0.00 C ATOM 95 C PHE A 5 -1.577 -3.272 -6.112 1.00 0.00 C ATOM 96 O PHE A 5 -0.420 -3.159 -6.520 1.00 0.00 O ATOM 97 CB PHE A 5 -3.242 -4.904 -6.977 1.00 0.00 C ATOM 98 CG PHE A 5 -2.348 -5.893 -7.670 1.00 0.00 C ATOM 99 CD1 PHE A 5 -2.797 -6.597 -8.775 1.00 0.00 C ATOM 100 CD2 PHE A 5 -1.053 -6.110 -7.224 1.00 0.00 C ATOM 101 CE1 PHE A 5 -1.974 -7.499 -9.422 1.00 0.00 C ATOM 102 CE2 PHE A 5 -0.227 -7.012 -7.866 1.00 0.00 C ATOM 103 CZ PHE A 5 -0.688 -7.706 -8.966 1.00 0.00 C ATOM 0 H PHE A 5 -1.346 -3.337 -8.640 1.00 0.00 H new ATOM 0 HA PHE A 5 -3.526 -2.770 -6.802 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -3.333 -5.179 -5.926 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.241 -4.961 -7.409 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.803 -6.439 -9.135 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -0.686 -5.568 -6.365 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -2.337 -8.041 -10.283 1.00 0.00 H new ATOM 0 HE2 PHE A 5 0.779 -7.174 -7.507 1.00 0.00 H new ATOM 0 HZ PHE A 5 -0.043 -8.411 -9.470 1.00 0.00 H new ATOM 113 N LEU A 6 -1.902 -3.238 -4.827 1.00 0.00 N ATOM 114 CA LEU A 6 -0.898 -3.061 -3.786 1.00 0.00 C ATOM 115 C LEU A 6 -1.040 -4.129 -2.702 1.00 0.00 C ATOM 116 O LEU A 6 -2.153 -4.510 -2.330 1.00 0.00 O ATOM 117 CB LEU A 6 -0.991 -1.649 -3.190 1.00 0.00 C ATOM 118 CG LEU A 6 -1.275 -1.576 -1.688 1.00 0.00 C ATOM 119 CD1 LEU A 6 -0.704 -0.299 -1.102 1.00 0.00 C ATOM 120 CD2 LEU A 6 -2.769 -1.670 -1.435 1.00 0.00 C ATOM 0 H LEU A 6 -2.856 -3.331 -4.479 1.00 0.00 H new ATOM 0 HA LEU A 6 0.089 -3.177 -4.234 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.054 -1.129 -3.389 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.775 -1.104 -3.716 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.790 -2.418 -1.195 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.915 -0.263 -0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.374 -0.276 -1.260 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.160 0.562 -1.591 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.961 -1.617 -0.363 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.275 -0.845 -1.935 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.145 -2.616 -1.825 1.00 0.00 H new ATOM 132 N THR A 7 0.097 -4.600 -2.197 1.00 0.00 N ATOM 133 CA THR A 7 0.111 -5.615 -1.146 1.00 0.00 C ATOM 134 C THR A 7 0.470 -4.988 0.194 1.00 0.00 C ATOM 135 O THR A 7 1.609 -4.570 0.415 1.00 0.00 O ATOM 136 CB THR A 7 1.096 -6.740 -1.467 1.00 0.00 C ATOM 137 OG1 THR A 7 0.808 -7.320 -2.728 1.00 0.00 O ATOM 138 CG2 THR A 7 1.076 -7.847 -0.431 1.00 0.00 C ATOM 0 H THR A 7 1.022 -4.295 -2.499 1.00 0.00 H new ATOM 0 HA THR A 7 -0.890 -6.042 -1.090 1.00 0.00 H new ATOM 0 HB THR A 7 2.083 -6.277 -1.471 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.451 -8.036 -2.913 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.794 -8.619 -0.709 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.342 -7.438 0.544 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.077 -8.281 -0.382 1.00 0.00 H new ATOM 146 N VAL A 8 -0.516 -4.927 1.080 1.00 0.00 N ATOM 147 CA VAL A 8 -0.330 -4.344 2.403 1.00 0.00 C ATOM 148 C VAL A 8 0.025 -5.409 3.432 1.00 0.00 C ATOM 149 O VAL A 8 -0.188 -6.595 3.205 1.00 0.00 O ATOM 150 CB VAL A 8 -1.602 -3.604 2.862 1.00 0.00 C ATOM 151 CG1 VAL A 8 -1.289 -2.657 4.012 1.00 0.00 C ATOM 152 CG2 VAL A 8 -2.233 -2.854 1.698 1.00 0.00 C ATOM 0 H VAL A 8 -1.458 -5.276 0.905 1.00 0.00 H new ATOM 0 HA VAL A 8 0.494 -3.635 2.328 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.319 -4.343 3.220 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.201 -2.145 4.320 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.890 -3.225 4.852 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.552 -1.922 3.688 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.130 -2.338 2.041 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.523 -2.126 1.306 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.499 -3.560 0.912 1.00 0.00 H new ATOM 162 N TYR A 9 0.580 -4.975 4.557 1.00 0.00 N ATOM 163 CA TYR A 9 0.978 -5.891 5.617 1.00 0.00 C ATOM 164 C TYR A 9 0.111 -5.712 6.853 1.00 0.00 C ATOM 165 O TYR A 9 -0.072 -4.593 7.351 1.00 0.00 O ATOM 166 CB TYR A 9 2.452 -5.698 5.970 1.00 0.00 C ATOM 167 CG TYR A 9 3.377 -6.551 5.134 1.00 0.00 C ATOM 168 CD1 TYR A 9 4.421 -7.257 5.714 1.00 0.00 C ATOM 169 CD2 TYR A 9 3.203 -6.647 3.760 1.00 0.00 C ATOM 170 CE1 TYR A 9 5.267 -8.037 4.947 1.00 0.00 C ATOM 171 CE2 TYR A 9 4.043 -7.425 2.986 1.00 0.00 C ATOM 172 CZ TYR A 9 5.073 -8.117 3.584 1.00 0.00 C ATOM 173 OH TYR A 9 5.914 -8.893 2.819 1.00 0.00 O ATOM 0 H TYR A 9 0.765 -3.992 4.758 1.00 0.00 H new ATOM 0 HA TYR A 9 0.837 -6.907 5.249 1.00 0.00 H new ATOM 0 HB2 TYR A 9 2.717 -4.649 5.839 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.601 -5.935 7.023 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.575 -7.196 6.781 1.00 0.00 H new ATOM 0 HD2 TYR A 9 2.397 -6.104 3.288 1.00 0.00 H new ATOM 0 HE1 TYR A 9 6.075 -8.581 5.413 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.893 -7.490 1.918 1.00 0.00 H new ATOM 0 HH TYR A 9 5.641 -8.843 1.879 1.00 0.00 H new ATOM 183 N LEU A 10 -0.419 -6.833 7.331 1.00 0.00 N ATOM 184 CA LEU A 10 -1.282 -6.853 8.505 1.00 0.00 C ATOM 185 C LEU A 10 -0.462 -6.951 9.786 1.00 0.00 C ATOM 186 O LEU A 10 0.436 -7.786 9.899 1.00 0.00 O ATOM 187 CB LEU A 10 -2.250 -8.036 8.425 1.00 0.00 C ATOM 188 CG LEU A 10 -3.562 -7.757 7.689 1.00 0.00 C ATOM 189 CD1 LEU A 10 -3.986 -8.962 6.865 1.00 0.00 C ATOM 190 CD2 LEU A 10 -4.653 -7.374 8.678 1.00 0.00 C ATOM 0 H LEU A 10 -0.262 -7.751 6.916 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.846 -5.920 8.525 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.744 -8.866 7.931 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.483 -8.363 9.438 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.402 -6.921 7.008 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.921 -8.740 6.351 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.214 -9.191 6.131 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.128 -9.820 7.522 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.580 -7.179 8.139 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.808 -8.191 9.383 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.353 -6.478 9.221 1.00 0.00 H new ATOM 241 N GLU A 14 5.959 -9.833 8.937 1.00 0.00 N ATOM 242 CA GLU A 14 6.737 -9.730 7.707 1.00 0.00 C ATOM 243 C GLU A 14 6.265 -10.739 6.659 1.00 0.00 C ATOM 244 O GLU A 14 6.784 -10.769 5.542 1.00 0.00 O ATOM 245 CB GLU A 14 8.223 -9.945 8.002 1.00 0.00 C ATOM 246 CG GLU A 14 9.141 -9.442 6.901 1.00 0.00 C ATOM 247 CD GLU A 14 10.514 -10.084 6.948 1.00 0.00 C ATOM 248 OE1 GLU A 14 11.160 -10.183 5.884 1.00 0.00 O ATOM 249 OE2 GLU A 14 10.944 -10.488 8.049 1.00 0.00 O ATOM 0 HA GLU A 14 6.588 -8.728 7.304 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.477 -9.440 8.934 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.404 -11.009 8.157 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.684 -9.642 5.932 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.247 -8.361 6.987 1.00 0.00 H new ATOM 256 N GLN A 15 5.286 -11.566 7.018 1.00 0.00 N ATOM 257 CA GLN A 15 4.763 -12.572 6.099 1.00 0.00 C ATOM 258 C GLN A 15 3.254 -12.462 5.945 1.00 0.00 C ATOM 259 O GLN A 15 2.678 -13.114 5.074 1.00 0.00 O ATOM 260 CB GLN A 15 5.147 -13.977 6.570 1.00 0.00 C ATOM 261 CG GLN A 15 6.113 -14.688 5.637 1.00 0.00 C ATOM 262 CD GLN A 15 7.559 -14.315 5.900 1.00 0.00 C ATOM 263 OE1 GLN A 15 8.116 -13.438 5.241 1.00 0.00 O ATOM 264 NE2 GLN A 15 8.176 -14.984 6.867 1.00 0.00 N ATOM 0 H GLN A 15 4.841 -11.559 7.936 1.00 0.00 H new ATOM 0 HA GLN A 15 5.211 -12.389 5.122 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.596 -13.909 7.561 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.243 -14.578 6.670 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.994 -15.766 5.749 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.861 -14.445 4.605 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.676 -15.704 7.389 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.150 -14.778 7.088 1.00 0.00 H new ATOM 273 N HIS A 16 2.604 -11.617 6.746 1.00 0.00 N ATOM 274 CA HIS A 16 1.171 -11.459 6.589 1.00 0.00 C ATOM 275 C HIS A 16 0.918 -10.188 5.807 1.00 0.00 C ATOM 276 O HIS A 16 1.320 -9.097 6.212 1.00 0.00 O ATOM 277 CB HIS A 16 0.493 -11.368 7.959 1.00 0.00 C ATOM 278 CG HIS A 16 -1.000 -11.432 7.909 1.00 0.00 C ATOM 279 ND1 HIS A 16 -1.801 -10.984 8.937 1.00 0.00 N ATOM 280 CD2 HIS A 16 -1.842 -11.887 6.950 1.00 0.00 C ATOM 281 CE1 HIS A 16 -3.067 -11.160 8.616 1.00 0.00 C ATOM 282 NE2 HIS A 16 -3.122 -11.705 7.414 1.00 0.00 N ATOM 0 H HIS A 16 3.032 -11.054 7.481 1.00 0.00 H new ATOM 0 HA HIS A 16 0.760 -12.319 6.060 1.00 0.00 H new ATOM 0 HB2 HIS A 16 0.859 -12.179 8.588 1.00 0.00 H new ATOM 0 HB3 HIS A 16 0.790 -10.435 8.438 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -1.560 -12.313 5.999 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -3.916 -10.902 9.232 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -3.975 -11.951 6.912 1.00 0.00 H new ATOM 291 N PHE A 17 0.250 -10.343 4.682 1.00 0.00 N ATOM 292 CA PHE A 17 -0.066 -9.224 3.822 1.00 0.00 C ATOM 293 C PHE A 17 -1.419 -9.395 3.177 1.00 0.00 C ATOM 294 O PHE A 17 -1.918 -10.513 3.043 1.00 0.00 O ATOM 295 CB PHE A 17 0.993 -9.050 2.749 1.00 0.00 C ATOM 296 CG PHE A 17 1.352 -10.333 2.081 1.00 0.00 C ATOM 297 CD1 PHE A 17 0.578 -10.816 1.037 1.00 0.00 C ATOM 298 CD2 PHE A 17 2.463 -11.056 2.497 1.00 0.00 C ATOM 299 CE1 PHE A 17 0.913 -12.005 0.416 1.00 0.00 C ATOM 300 CE2 PHE A 17 2.799 -12.242 1.885 1.00 0.00 C ATOM 301 CZ PHE A 17 2.024 -12.720 0.840 1.00 0.00 C ATOM 0 H PHE A 17 -0.087 -11.243 4.341 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.088 -8.331 4.446 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.633 -8.344 2.001 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.887 -8.614 3.194 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.289 -10.262 0.708 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.069 -10.683 3.309 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.310 -12.377 -0.399 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.663 -12.798 2.218 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.285 -13.649 0.356 1.00 0.00 H new ATOM 311 N THR A 18 -1.981 -8.300 2.717 1.00 0.00 N ATOM 312 CA THR A 18 -3.241 -8.356 2.017 1.00 0.00 C ATOM 313 C THR A 18 -3.157 -7.505 0.759 1.00 0.00 C ATOM 314 O THR A 18 -3.023 -6.284 0.829 1.00 0.00 O ATOM 315 CB THR A 18 -4.388 -7.890 2.918 1.00 0.00 C ATOM 316 OG1 THR A 18 -5.640 -8.146 2.310 1.00 0.00 O ATOM 317 CG2 THR A 18 -4.329 -6.413 3.246 1.00 0.00 C ATOM 0 H THR A 18 -1.586 -7.365 2.815 1.00 0.00 H new ATOM 0 HA THR A 18 -3.446 -9.389 1.735 1.00 0.00 H new ATOM 0 HB THR A 18 -4.276 -8.456 3.843 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.359 -7.843 2.902 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.170 -6.149 3.887 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.395 -6.192 3.763 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.379 -5.833 2.324 1.00 0.00 H new ATOM 325 N GLU A 19 -3.224 -8.164 -0.391 1.00 0.00 N ATOM 326 CA GLU A 19 -3.141 -7.468 -1.666 1.00 0.00 C ATOM 327 C GLU A 19 -4.523 -7.192 -2.226 1.00 0.00 C ATOM 328 O GLU A 19 -5.472 -7.932 -1.968 1.00 0.00 O ATOM 329 CB GLU A 19 -2.316 -8.270 -2.670 1.00 0.00 C ATOM 330 CG GLU A 19 -2.547 -9.772 -2.606 1.00 0.00 C ATOM 331 CD GLU A 19 -1.539 -10.479 -1.721 1.00 0.00 C ATOM 332 OE1 GLU A 19 -0.340 -10.480 -2.070 1.00 0.00 O ATOM 333 OE2 GLU A 19 -1.949 -11.035 -0.680 1.00 0.00 O ATOM 0 H GLU A 19 -3.335 -9.175 -0.466 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.644 -6.514 -1.491 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.548 -7.920 -3.676 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.259 -8.068 -2.498 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.552 -9.966 -2.232 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.496 -10.187 -3.613 1.00 0.00 H new ATOM 340 N VAL A 20 -4.629 -6.110 -2.981 1.00 0.00 N ATOM 341 CA VAL A 20 -5.908 -5.724 -3.563 1.00 0.00 C ATOM 342 C VAL A 20 -5.740 -4.829 -4.792 1.00 0.00 C ATOM 343 O VAL A 20 -4.884 -3.941 -4.812 1.00 0.00 O ATOM 344 CB VAL A 20 -6.771 -4.987 -2.519 1.00 0.00 C ATOM 345 CG1 VAL A 20 -6.038 -3.758 -2.001 1.00 0.00 C ATOM 346 CG2 VAL A 20 -8.127 -4.609 -3.100 1.00 0.00 C ATOM 0 H VAL A 20 -3.853 -5.487 -3.205 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.401 -6.644 -3.878 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.947 -5.661 -1.681 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.659 -3.247 -1.265 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.100 -4.063 -1.536 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.829 -3.082 -2.831 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.715 -4.091 -2.343 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.985 -3.955 -3.960 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.653 -5.511 -3.413 1.00 0.00 H new ATOM 356 N PRO A 21 -6.581 -5.037 -5.825 1.00 0.00 N ATOM 357 CA PRO A 21 -6.556 -4.238 -7.044 1.00 0.00 C ATOM 358 C PRO A 21 -7.445 -3.010 -6.909 1.00 0.00 C ATOM 359 O PRO A 21 -8.515 -3.080 -6.304 1.00 0.00 O ATOM 360 CB PRO A 21 -7.116 -5.202 -8.082 1.00 0.00 C ATOM 361 CG PRO A 21 -8.093 -6.045 -7.326 1.00 0.00 C ATOM 362 CD PRO A 21 -7.645 -6.057 -5.880 1.00 0.00 C ATOM 0 HA PRO A 21 -5.566 -3.856 -7.293 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.602 -4.667 -8.898 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.327 -5.810 -8.525 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.101 -5.639 -7.414 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.121 -7.057 -7.729 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.466 -5.813 -5.206 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.272 -7.038 -5.586 1.00 0.00 H new ATOM 370 N VAL A 22 -7.001 -1.882 -7.449 1.00 0.00 N ATOM 371 CA VAL A 22 -7.776 -0.654 -7.346 1.00 0.00 C ATOM 372 C VAL A 22 -7.472 0.303 -8.489 1.00 0.00 C ATOM 373 O VAL A 22 -6.401 0.257 -9.090 1.00 0.00 O ATOM 374 CB VAL A 22 -7.532 0.064 -5.988 1.00 0.00 C ATOM 375 CG1 VAL A 22 -6.808 -0.849 -5.005 1.00 0.00 C ATOM 376 CG2 VAL A 22 -6.763 1.379 -6.164 1.00 0.00 C ATOM 0 H VAL A 22 -6.120 -1.792 -7.956 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.825 -0.945 -7.406 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.512 0.307 -5.578 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.651 -0.320 -4.065 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.410 -1.739 -4.824 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.844 -1.141 -5.422 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.615 1.847 -5.191 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.794 1.176 -6.620 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.333 2.051 -6.806 1.00 0.00 H new ATOM 386 N THR A 23 -8.420 1.190 -8.751 1.00 0.00 N ATOM 387 CA THR A 23 -8.268 2.198 -9.787 1.00 0.00 C ATOM 388 C THR A 23 -7.696 3.459 -9.156 1.00 0.00 C ATOM 389 O THR A 23 -7.632 3.560 -7.933 1.00 0.00 O ATOM 390 CB THR A 23 -9.617 2.481 -10.449 1.00 0.00 C ATOM 391 OG1 THR A 23 -10.668 2.396 -9.502 1.00 0.00 O ATOM 392 CG2 THR A 23 -9.934 1.522 -11.577 1.00 0.00 C ATOM 0 H THR A 23 -9.310 1.231 -8.255 1.00 0.00 H new ATOM 0 HA THR A 23 -7.588 1.841 -10.560 1.00 0.00 H new ATOM 0 HB THR A 23 -9.538 3.488 -10.857 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.442 2.902 -9.826 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.903 1.774 -12.007 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.165 1.598 -12.346 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.962 0.503 -11.191 1.00 0.00 H new ATOM 400 N PRO A 24 -7.267 4.447 -9.949 1.00 0.00 N ATOM 401 CA PRO A 24 -6.709 5.669 -9.387 1.00 0.00 C ATOM 402 C PRO A 24 -7.789 6.583 -8.825 1.00 0.00 C ATOM 403 O PRO A 24 -7.875 7.763 -9.169 1.00 0.00 O ATOM 404 CB PRO A 24 -5.980 6.307 -10.560 1.00 0.00 C ATOM 405 CG PRO A 24 -6.662 5.788 -11.785 1.00 0.00 C ATOM 406 CD PRO A 24 -7.295 4.464 -11.420 1.00 0.00 C ATOM 0 HA PRO A 24 -6.050 5.475 -8.541 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.035 7.395 -10.511 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.923 6.041 -10.557 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.418 6.493 -12.132 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.947 5.661 -12.598 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.314 4.391 -11.800 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -6.737 3.626 -11.839 1.00 0.00 H new ATOM 414 N GLU A 25 -8.601 6.015 -7.940 1.00 0.00 N ATOM 415 CA GLU A 25 -9.680 6.737 -7.287 1.00 0.00 C ATOM 416 C GLU A 25 -9.616 6.490 -5.786 1.00 0.00 C ATOM 417 O GLU A 25 -9.747 7.416 -4.985 1.00 0.00 O ATOM 418 CB GLU A 25 -11.037 6.293 -7.839 1.00 0.00 C ATOM 419 CG GLU A 25 -11.335 4.821 -7.608 1.00 0.00 C ATOM 420 CD GLU A 25 -12.523 4.334 -8.414 1.00 0.00 C ATOM 421 OE1 GLU A 25 -13.563 4.011 -7.803 1.00 0.00 O ATOM 422 OE2 GLU A 25 -12.413 4.277 -9.658 1.00 0.00 O ATOM 0 H GLU A 25 -8.527 5.038 -7.656 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.565 7.803 -7.485 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -11.822 6.891 -7.376 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.069 6.498 -8.909 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.457 4.231 -7.869 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.527 4.655 -6.548 1.00 0.00 H new ATOM 429 N THR A 26 -9.388 5.231 -5.411 1.00 0.00 N ATOM 430 CA THR A 26 -9.278 4.865 -4.008 1.00 0.00 C ATOM 431 C THR A 26 -7.846 5.030 -3.533 1.00 0.00 C ATOM 432 O THR A 26 -6.903 4.815 -4.295 1.00 0.00 O ATOM 433 CB THR A 26 -9.738 3.434 -3.766 1.00 0.00 C ATOM 434 OG1 THR A 26 -9.180 2.553 -4.724 1.00 0.00 O ATOM 435 CG2 THR A 26 -11.242 3.278 -3.812 1.00 0.00 C ATOM 0 H THR A 26 -9.277 4.453 -6.061 1.00 0.00 H new ATOM 0 HA THR A 26 -9.928 5.531 -3.441 1.00 0.00 H new ATOM 0 HB THR A 26 -9.393 3.185 -2.763 1.00 0.00 H new ATOM 0 HG1 THR A 26 -9.890 2.000 -5.112 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.505 2.236 -3.632 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.696 3.905 -3.045 1.00 0.00 H new ATOM 0 HG23 THR A 26 -11.609 3.581 -4.792 1.00 0.00 H new ATOM 443 N ILE A 27 -7.683 5.403 -2.273 1.00 0.00 N ATOM 444 CA ILE A 27 -6.344 5.582 -1.717 1.00 0.00 C ATOM 445 C ILE A 27 -6.225 5.034 -0.296 1.00 0.00 C ATOM 446 O ILE A 27 -6.999 5.395 0.590 1.00 0.00 O ATOM 447 CB ILE A 27 -6.002 7.086 -1.679 1.00 0.00 C ATOM 448 CG1 ILE A 27 -6.871 7.815 -0.638 1.00 0.00 C ATOM 449 CG2 ILE A 27 -6.183 7.715 -3.053 1.00 0.00 C ATOM 450 CD1 ILE A 27 -8.342 7.453 -0.670 1.00 0.00 C ATOM 0 H ILE A 27 -8.446 5.586 -1.622 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.655 5.031 -2.358 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.956 7.188 -1.389 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -6.480 7.599 0.356 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -6.773 8.890 -0.792 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.936 8.776 -3.003 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.524 7.223 -3.768 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -7.218 7.598 -3.373 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -8.872 8.016 0.098 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -8.755 7.697 -1.649 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.458 6.386 -0.482 1.00 0.00 H new ATOM 462 N CYS A 28 -5.216 4.193 -0.083 1.00 0.00 N ATOM 463 CA CYS A 28 -4.927 3.603 1.230 1.00 0.00 C ATOM 464 C CYS A 28 -6.204 3.249 1.990 1.00 0.00 C ATOM 465 O CYS A 28 -6.193 3.117 3.216 1.00 0.00 O ATOM 466 CB CYS A 28 -4.042 4.514 2.067 1.00 0.00 C ATOM 467 SG CYS A 28 -3.150 3.656 3.385 1.00 0.00 S ATOM 0 H CYS A 28 -4.571 3.898 -0.816 1.00 0.00 H new ATOM 0 HA CYS A 28 -4.384 2.676 1.045 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.321 5.005 1.413 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.658 5.298 2.508 1.00 0.00 H new ATOM 0 HG CYS A 28 -2.958 4.470 4.380 1.00 0.00 H new ATOM 473 N ARG A 29 -7.286 3.060 1.258 1.00 0.00 N ATOM 474 CA ARG A 29 -8.554 2.690 1.857 1.00 0.00 C ATOM 475 C ARG A 29 -8.557 1.195 2.017 1.00 0.00 C ATOM 476 O ARG A 29 -8.894 0.658 3.070 1.00 0.00 O ATOM 477 CB ARG A 29 -9.726 3.141 0.979 1.00 0.00 C ATOM 478 CG ARG A 29 -10.505 4.310 1.560 1.00 0.00 C ATOM 479 CD ARG A 29 -11.182 5.125 0.470 1.00 0.00 C ATOM 480 NE ARG A 29 -12.384 5.799 0.958 1.00 0.00 N ATOM 481 CZ ARG A 29 -12.364 6.887 1.723 1.00 0.00 C ATOM 482 NH1 ARG A 29 -11.209 7.427 2.091 1.00 0.00 N ATOM 483 NH2 ARG A 29 -13.503 7.437 2.122 1.00 0.00 N ATOM 0 H ARG A 29 -7.311 3.157 0.243 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.672 3.179 2.824 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.347 3.420 -0.004 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.404 2.300 0.832 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -11.256 3.938 2.257 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -9.831 4.950 2.129 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -10.482 5.866 0.084 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -11.445 4.471 -0.361 1.00 0.00 H new ATOM 0 HE ARG A 29 -13.291 5.412 0.697 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.330 7.008 1.787 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -11.200 8.261 2.678 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -14.393 7.026 1.842 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -13.488 8.271 2.709 1.00 0.00 H new ATOM 497 N ASP A 30 -8.119 0.537 0.960 1.00 0.00 N ATOM 498 CA ASP A 30 -8.003 -0.909 0.963 1.00 0.00 C ATOM 499 C ASP A 30 -6.832 -1.312 1.853 1.00 0.00 C ATOM 500 O ASP A 30 -6.852 -2.364 2.493 1.00 0.00 O ATOM 501 CB ASP A 30 -7.795 -1.435 -0.457 1.00 0.00 C ATOM 502 CG ASP A 30 -9.099 -1.585 -1.215 1.00 0.00 C ATOM 503 OD1 ASP A 30 -9.359 -0.764 -2.119 1.00 0.00 O ATOM 504 OD2 ASP A 30 -9.862 -2.525 -0.906 1.00 0.00 O ATOM 0 H ASP A 30 -7.837 0.982 0.087 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.924 -1.343 1.351 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.138 -0.756 -1.000 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.290 -2.400 -0.414 1.00 0.00 H new ATOM 509 N VAL A 31 -5.815 -0.446 1.899 1.00 0.00 N ATOM 510 CA VAL A 31 -4.636 -0.686 2.719 1.00 0.00 C ATOM 511 C VAL A 31 -5.009 -0.672 4.200 1.00 0.00 C ATOM 512 O VAL A 31 -4.707 -1.611 4.938 1.00 0.00 O ATOM 513 CB VAL A 31 -3.552 0.387 2.448 1.00 0.00 C ATOM 514 CG1 VAL A 31 -2.348 0.231 3.371 1.00 0.00 C ATOM 515 CG2 VAL A 31 -3.109 0.349 0.995 1.00 0.00 C ATOM 0 H VAL A 31 -5.790 0.428 1.374 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.236 -1.665 2.457 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.003 1.357 2.656 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.614 1.004 3.145 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.670 0.328 4.408 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.899 -0.751 3.220 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.348 1.111 0.827 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.696 -0.634 0.766 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.965 0.543 0.348 1.00 0.00 H new ATOM 525 N VAL A 32 -5.678 0.397 4.628 1.00 0.00 N ATOM 526 CA VAL A 32 -6.096 0.521 6.018 1.00 0.00 C ATOM 527 C VAL A 32 -7.263 -0.413 6.334 1.00 0.00 C ATOM 528 O VAL A 32 -7.225 -1.150 7.317 1.00 0.00 O ATOM 529 CB VAL A 32 -6.483 1.973 6.362 1.00 0.00 C ATOM 530 CG1 VAL A 32 -7.015 2.067 7.785 1.00 0.00 C ATOM 531 CG2 VAL A 32 -5.284 2.892 6.177 1.00 0.00 C ATOM 0 H VAL A 32 -5.940 1.184 4.034 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.243 0.233 6.632 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.275 2.291 5.684 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.282 3.100 8.006 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.897 1.435 7.886 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.247 1.733 8.483 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.568 3.915 6.423 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.476 2.572 6.835 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.948 2.848 5.141 1.00 0.00 H new ATOM 541 N ASP A 33 -8.298 -0.372 5.499 1.00 0.00 N ATOM 542 CA ASP A 33 -9.478 -1.211 5.700 1.00 0.00 C ATOM 543 C ASP A 33 -9.107 -2.685 5.846 1.00 0.00 C ATOM 544 O ASP A 33 -9.700 -3.402 6.652 1.00 0.00 O ATOM 545 CB ASP A 33 -10.462 -1.042 4.541 1.00 0.00 C ATOM 546 CG ASP A 33 -11.141 0.313 4.550 1.00 0.00 C ATOM 547 OD1 ASP A 33 -12.250 0.425 3.986 1.00 0.00 O ATOM 548 OD2 ASP A 33 -10.565 1.263 5.123 1.00 0.00 O ATOM 0 H ASP A 33 -8.344 0.232 4.678 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.950 -0.885 6.627 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.933 -1.174 3.597 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.219 -1.825 4.594 1.00 0.00 H new ATOM 553 N LEU A 34 -8.139 -3.139 5.056 1.00 0.00 N ATOM 554 CA LEU A 34 -7.721 -4.536 5.105 1.00 0.00 C ATOM 555 C LEU A 34 -6.751 -4.797 6.255 1.00 0.00 C ATOM 556 O LEU A 34 -6.773 -5.869 6.857 1.00 0.00 O ATOM 557 CB LEU A 34 -7.078 -4.943 3.779 1.00 0.00 C ATOM 558 CG LEU A 34 -8.027 -4.974 2.580 1.00 0.00 C ATOM 559 CD1 LEU A 34 -7.247 -5.124 1.285 1.00 0.00 C ATOM 560 CD2 LEU A 34 -9.037 -6.102 2.731 1.00 0.00 C ATOM 0 H LEU A 34 -7.633 -2.566 4.380 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.613 -5.139 5.276 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.264 -4.252 3.561 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.634 -5.931 3.897 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.569 -4.029 2.545 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.939 -5.144 0.443 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.563 -4.283 1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.678 -6.053 1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.705 -6.110 1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.512 -7.055 2.792 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.619 -5.950 3.640 1.00 0.00 H new ATOM 572 N CYS A 35 -5.892 -3.826 6.551 1.00 0.00 N ATOM 573 CA CYS A 35 -4.918 -3.978 7.619 1.00 0.00 C ATOM 574 C CYS A 35 -5.252 -3.098 8.821 1.00 0.00 C ATOM 575 O CYS A 35 -4.368 -2.488 9.423 1.00 0.00 O ATOM 576 CB CYS A 35 -3.526 -3.642 7.094 1.00 0.00 C ATOM 577 SG CYS A 35 -2.963 -4.716 5.754 1.00 0.00 S ATOM 0 H CYS A 35 -5.853 -2.929 6.066 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.945 -5.015 7.955 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.521 -2.610 6.744 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.814 -3.703 7.917 1.00 0.00 H new ATOM 0 HG CYS A 35 -3.564 -4.384 4.650 1.00 0.00 H new ATOM 583 N LYS A 36 -6.530 -3.048 9.170 1.00 0.00 N ATOM 584 CA LYS A 36 -6.982 -2.252 10.310 1.00 0.00 C ATOM 585 C LYS A 36 -7.142 -3.121 11.553 1.00 0.00 C ATOM 586 O LYS A 36 -6.727 -4.280 11.575 1.00 0.00 O ATOM 587 CB LYS A 36 -8.310 -1.559 9.992 1.00 0.00 C ATOM 588 CG LYS A 36 -8.331 -0.089 10.375 1.00 0.00 C ATOM 589 CD LYS A 36 -9.725 0.502 10.241 1.00 0.00 C ATOM 590 CE LYS A 36 -10.137 0.625 8.784 1.00 0.00 C ATOM 591 NZ LYS A 36 -11.517 0.119 8.551 1.00 0.00 N ATOM 0 H LYS A 36 -7.274 -3.548 8.683 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.223 -1.495 10.507 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.513 -1.652 8.925 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.115 -2.075 10.516 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.983 0.025 11.402 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.638 0.463 9.740 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.441 -0.126 10.771 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.752 1.484 10.713 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.077 1.669 8.477 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.437 0.069 8.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.759 0.221 7.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.569 -0.884 8.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.189 0.666 9.126 1.00 0.00 H new ATOM 679 N CYS A 43 -4.233 6.682 11.363 1.00 0.00 N ATOM 680 CA CYS A 43 -3.223 5.709 10.961 1.00 0.00 C ATOM 681 C CYS A 43 -2.626 6.070 9.603 1.00 0.00 C ATOM 682 O CYS A 43 -3.214 6.833 8.837 1.00 0.00 O ATOM 683 CB CYS A 43 -3.829 4.306 10.909 1.00 0.00 C ATOM 684 SG CYS A 43 -3.997 3.516 12.526 1.00 0.00 S ATOM 0 HA CYS A 43 -2.424 5.725 11.703 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -4.811 4.363 10.440 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.208 3.677 10.272 1.00 0.00 H new ATOM 0 HG CYS A 43 -4.520 2.335 12.380 1.00 0.00 H new ATOM 690 N HIS A 44 -1.455 5.512 9.314 1.00 0.00 N ATOM 691 CA HIS A 44 -0.772 5.769 8.051 1.00 0.00 C ATOM 692 C HIS A 44 -0.194 4.475 7.480 1.00 0.00 C ATOM 693 O HIS A 44 0.029 3.507 8.212 1.00 0.00 O ATOM 694 CB HIS A 44 0.330 6.823 8.243 1.00 0.00 C ATOM 695 CG HIS A 44 1.712 6.256 8.387 1.00 0.00 C ATOM 696 ND1 HIS A 44 2.432 5.748 7.325 1.00 0.00 N ATOM 697 CD2 HIS A 44 2.506 6.120 9.476 1.00 0.00 C ATOM 698 CE1 HIS A 44 3.607 5.325 7.755 1.00 0.00 C ATOM 699 NE2 HIS A 44 3.677 5.539 9.055 1.00 0.00 N ATOM 0 H HIS A 44 -0.958 4.877 9.939 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.497 6.159 7.337 1.00 0.00 H new ATOM 0 HB2 HIS A 44 0.317 7.504 7.392 1.00 0.00 H new ATOM 0 HB3 HIS A 44 0.099 7.415 9.129 1.00 0.00 H new ATOM 0 HD1 HIS A 44 2.107 5.706 6.359 1.00 0.00 H new ATOM 0 HD2 HIS A 44 2.263 6.414 10.487 1.00 0.00 H new ATOM 0 HE1 HIS A 44 4.379 4.879 7.146 1.00 0.00 H new ATOM 708 N LEU A 45 0.052 4.463 6.173 1.00 0.00 N ATOM 709 CA LEU A 45 0.607 3.289 5.521 1.00 0.00 C ATOM 710 C LEU A 45 2.074 3.534 5.189 1.00 0.00 C ATOM 711 O LEU A 45 2.470 4.666 4.936 1.00 0.00 O ATOM 712 CB LEU A 45 -0.206 2.959 4.265 1.00 0.00 C ATOM 713 CG LEU A 45 0.471 2.028 3.258 1.00 0.00 C ATOM 714 CD1 LEU A 45 0.566 0.623 3.822 1.00 0.00 C ATOM 715 CD2 LEU A 45 -0.282 2.027 1.932 1.00 0.00 C ATOM 0 H LEU A 45 -0.124 5.251 5.550 1.00 0.00 H new ATOM 0 HA LEU A 45 0.550 2.431 6.191 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.148 2.506 4.574 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.452 3.893 3.759 1.00 0.00 H new ATOM 0 HG LEU A 45 1.480 2.395 3.072 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.050 -0.029 3.095 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.151 0.639 4.741 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.435 0.248 4.036 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.217 1.358 1.231 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.304 1.685 2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.298 3.037 1.522 1.00 0.00 H new ATOM 727 N ALA A 46 2.884 2.481 5.216 1.00 0.00 N ATOM 728 CA ALA A 46 4.313 2.614 4.939 1.00 0.00 C ATOM 729 C ALA A 46 4.712 1.916 3.641 1.00 0.00 C ATOM 730 O ALA A 46 4.066 0.951 3.218 1.00 0.00 O ATOM 731 CB ALA A 46 5.124 2.065 6.102 1.00 0.00 C ATOM 0 H ALA A 46 2.579 1.530 5.425 1.00 0.00 H new ATOM 0 HA ALA A 46 4.527 3.676 4.817 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.187 2.169 5.885 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.882 2.620 7.008 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.885 1.012 6.247 1.00 0.00 H new ATOM 737 N GLU A 47 5.788 2.410 3.020 1.00 0.00 N ATOM 738 CA GLU A 47 6.290 1.829 1.777 1.00 0.00 C ATOM 739 C GLU A 47 7.782 1.512 1.889 1.00 0.00 C ATOM 740 O GLU A 47 8.617 2.414 1.942 1.00 0.00 O ATOM 741 CB GLU A 47 6.062 2.796 0.615 1.00 0.00 C ATOM 742 CG GLU A 47 6.262 4.261 0.970 1.00 0.00 C ATOM 743 CD GLU A 47 5.564 5.196 0.002 1.00 0.00 C ATOM 744 OE1 GLU A 47 5.358 6.375 0.359 1.00 0.00 O ATOM 745 OE2 GLU A 47 5.223 4.749 -1.114 1.00 0.00 O ATOM 0 H GLU A 47 6.325 3.208 3.359 1.00 0.00 H new ATOM 0 HA GLU A 47 5.746 0.902 1.592 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.740 2.535 -0.197 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.048 2.661 0.239 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.887 4.441 1.978 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.328 4.486 0.982 1.00 0.00 H new ATOM 752 N VAL A 48 8.106 0.222 1.898 1.00 0.00 N ATOM 753 CA VAL A 48 9.493 -0.231 1.974 1.00 0.00 C ATOM 754 C VAL A 48 9.835 -1.155 0.816 1.00 0.00 C ATOM 755 O VAL A 48 9.208 -2.205 0.655 1.00 0.00 O ATOM 756 CB VAL A 48 9.808 -0.947 3.305 1.00 0.00 C ATOM 757 CG1 VAL A 48 11.314 -1.066 3.497 1.00 0.00 C ATOM 758 CG2 VAL A 48 9.166 -0.217 4.479 1.00 0.00 C ATOM 0 H VAL A 48 7.422 -0.533 1.853 1.00 0.00 H new ATOM 0 HA VAL A 48 10.107 0.668 1.917 1.00 0.00 H new ATOM 0 HB VAL A 48 9.386 -1.951 3.265 1.00 0.00 H new ATOM 0 HG11 VAL A 48 11.522 -1.573 4.439 1.00 0.00 H new ATOM 0 HG12 VAL A 48 11.741 -1.640 2.675 1.00 0.00 H new ATOM 0 HG13 VAL A 48 11.758 -0.071 3.515 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.402 -0.740 5.406 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.551 0.801 4.529 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.085 -0.189 4.343 1.00 0.00 H new ATOM 768 N TRP A 49 10.828 -0.791 0.017 1.00 0.00 N ATOM 769 CA TRP A 49 11.223 -1.645 -1.092 1.00 0.00 C ATOM 770 C TRP A 49 12.727 -1.579 -1.354 1.00 0.00 C ATOM 771 O TRP A 49 13.293 -0.500 -1.521 1.00 0.00 O ATOM 772 CB TRP A 49 10.409 -1.306 -2.340 1.00 0.00 C ATOM 773 CG TRP A 49 11.205 -0.886 -3.526 1.00 0.00 C ATOM 774 CD1 TRP A 49 11.763 -1.677 -4.485 1.00 0.00 C ATOM 775 CD2 TRP A 49 11.511 0.447 -3.870 1.00 0.00 C ATOM 776 NE1 TRP A 49 12.406 -0.895 -5.415 1.00 0.00 N ATOM 777 CE2 TRP A 49 12.266 0.423 -5.050 1.00 0.00 C ATOM 778 CE3 TRP A 49 11.209 1.656 -3.275 1.00 0.00 C ATOM 779 CZ2 TRP A 49 12.730 1.591 -5.653 1.00 0.00 C ATOM 780 CZ3 TRP A 49 11.662 2.820 -3.865 1.00 0.00 C ATOM 781 CH2 TRP A 49 12.419 2.780 -5.045 1.00 0.00 C ATOM 0 H TRP A 49 11.365 0.071 0.112 1.00 0.00 H new ATOM 0 HA TRP A 49 11.005 -2.677 -0.819 1.00 0.00 H new ATOM 0 HB2 TRP A 49 9.814 -2.177 -2.613 1.00 0.00 H new ATOM 0 HB3 TRP A 49 9.710 -0.508 -2.091 1.00 0.00 H new ATOM 0 HD1 TRP A 49 11.708 -2.755 -4.511 1.00 0.00 H new ATOM 0 HE1 TRP A 49 12.903 -1.236 -6.238 1.00 0.00 H new ATOM 0 HE3 TRP A 49 10.629 1.691 -2.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 13.311 1.561 -6.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 11.430 3.773 -3.412 1.00 0.00 H new ATOM 0 HH2 TRP A 49 12.764 3.705 -5.484 1.00 0.00 H new ATOM 792 N CYS A 50 13.365 -2.747 -1.397 1.00 0.00 N ATOM 793 CA CYS A 50 14.802 -2.837 -1.650 1.00 0.00 C ATOM 794 C CYS A 50 15.585 -1.833 -0.803 1.00 0.00 C ATOM 795 O CYS A 50 16.428 -1.098 -1.317 1.00 0.00 O ATOM 796 CB CYS A 50 15.090 -2.603 -3.134 1.00 0.00 C ATOM 797 SG CYS A 50 14.963 -4.092 -4.154 1.00 0.00 S ATOM 0 H CYS A 50 12.907 -3.648 -1.259 1.00 0.00 H new ATOM 0 HA CYS A 50 15.127 -3.839 -1.370 1.00 0.00 H new ATOM 0 HB2 CYS A 50 14.395 -1.854 -3.514 1.00 0.00 H new ATOM 0 HB3 CYS A 50 16.093 -2.189 -3.238 1.00 0.00 H new ATOM 0 HG CYS A 50 15.221 -3.793 -5.392 1.00 0.00 H new ATOM 803 N GLY A 51 15.302 -1.811 0.494 1.00 0.00 N ATOM 804 CA GLY A 51 15.993 -0.898 1.387 1.00 0.00 C ATOM 805 C GLY A 51 15.446 0.517 1.329 1.00 0.00 C ATOM 806 O GLY A 51 15.918 1.397 2.049 1.00 0.00 O ATOM 0 H GLY A 51 14.608 -2.408 0.943 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.916 -1.270 2.409 1.00 0.00 H new ATOM 0 HA3 GLY A 51 17.053 -0.883 1.133 1.00 0.00 H new ATOM 810 N SER A 52 14.448 0.742 0.478 1.00 0.00 N ATOM 811 CA SER A 52 13.844 2.062 0.345 1.00 0.00 C ATOM 812 C SER A 52 12.557 2.142 1.151 1.00 0.00 C ATOM 813 O SER A 52 11.495 1.741 0.680 1.00 0.00 O ATOM 814 CB SER A 52 13.553 2.370 -1.125 1.00 0.00 C ATOM 815 OG SER A 52 14.427 1.656 -1.981 1.00 0.00 O ATOM 0 H SER A 52 14.042 0.028 -0.128 1.00 0.00 H new ATOM 0 HA SER A 52 14.548 2.800 0.729 1.00 0.00 H new ATOM 0 HB2 SER A 52 12.520 2.109 -1.356 1.00 0.00 H new ATOM 0 HB3 SER A 52 13.659 3.440 -1.303 1.00 0.00 H new ATOM 0 HG SER A 52 13.976 0.852 -2.312 1.00 0.00 H new ATOM 821 N GLU A 53 12.658 2.662 2.369 1.00 0.00 N ATOM 822 CA GLU A 53 11.497 2.789 3.239 1.00 0.00 C ATOM 823 C GLU A 53 11.075 4.250 3.373 1.00 0.00 C ATOM 824 O GLU A 53 11.898 5.122 3.653 1.00 0.00 O ATOM 825 CB GLU A 53 11.802 2.206 4.620 1.00 0.00 C ATOM 826 CG GLU A 53 13.110 2.702 5.215 1.00 0.00 C ATOM 827 CD GLU A 53 14.233 1.693 5.076 1.00 0.00 C ATOM 828 OE1 GLU A 53 13.949 0.477 5.125 1.00 0.00 O ATOM 829 OE2 GLU A 53 15.397 2.118 4.917 1.00 0.00 O ATOM 0 H GLU A 53 13.530 3.001 2.775 1.00 0.00 H new ATOM 0 HA GLU A 53 10.675 2.231 2.790 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.986 2.455 5.299 1.00 0.00 H new ATOM 0 HB3 GLU A 53 11.835 1.119 4.547 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.399 3.631 4.724 1.00 0.00 H new ATOM 0 HG3 GLU A 53 12.961 2.931 6.270 1.00 0.00 H new ATOM 836 N ARG A 54 9.788 4.510 3.171 1.00 0.00 N ATOM 837 CA ARG A 54 9.255 5.864 3.267 1.00 0.00 C ATOM 838 C ARG A 54 7.822 5.846 3.794 1.00 0.00 C ATOM 839 O ARG A 54 7.103 4.863 3.623 1.00 0.00 O ATOM 840 CB ARG A 54 9.303 6.553 1.901 1.00 0.00 C ATOM 841 CG ARG A 54 10.523 7.438 1.710 1.00 0.00 C ATOM 842 CD ARG A 54 11.590 6.745 0.877 1.00 0.00 C ATOM 843 NE ARG A 54 12.561 7.693 0.333 1.00 0.00 N ATOM 844 CZ ARG A 54 13.379 7.415 -0.680 1.00 0.00 C ATOM 845 NH1 ARG A 54 13.346 6.222 -1.261 1.00 0.00 N ATOM 846 NH2 ARG A 54 14.233 8.333 -1.113 1.00 0.00 N ATOM 0 H ARG A 54 9.094 3.800 2.939 1.00 0.00 H new ATOM 0 HA ARG A 54 9.874 6.424 3.968 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.289 5.793 1.119 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.404 7.156 1.775 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.227 8.367 1.223 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.936 7.705 2.683 1.00 0.00 H new ATOM 0 HD2 ARG A 54 12.108 6.008 1.491 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.116 6.202 0.059 1.00 0.00 H new ATOM 0 HE ARG A 54 12.615 8.621 0.754 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.691 5.512 -0.932 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.975 6.015 -2.037 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.263 9.251 -0.670 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.860 8.121 -1.889 1.00 0.00 H new ATOM 860 N PRO A 55 7.386 6.936 4.447 1.00 0.00 N ATOM 861 CA PRO A 55 6.033 7.037 4.996 1.00 0.00 C ATOM 862 C PRO A 55 4.997 7.355 3.921 1.00 0.00 C ATOM 863 O PRO A 55 5.132 8.337 3.190 1.00 0.00 O ATOM 864 CB PRO A 55 6.151 8.196 5.983 1.00 0.00 C ATOM 865 CG PRO A 55 7.208 9.073 5.402 1.00 0.00 C ATOM 866 CD PRO A 55 8.178 8.156 4.701 1.00 0.00 C ATOM 0 HA PRO A 55 5.697 6.103 5.446 1.00 0.00 H new ATOM 0 HB2 PRO A 55 5.205 8.728 6.085 1.00 0.00 H new ATOM 0 HB3 PRO A 55 6.428 7.845 6.977 1.00 0.00 H new ATOM 0 HG2 PRO A 55 6.778 9.791 4.704 1.00 0.00 H new ATOM 0 HG3 PRO A 55 7.709 9.647 6.181 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.545 8.595 3.773 1.00 0.00 H new ATOM 0 HD3 PRO A 55 9.049 7.946 5.321 1.00 0.00 H new ATOM 874 N VAL A 56 3.966 6.522 3.827 1.00 0.00 N ATOM 875 CA VAL A 56 2.912 6.722 2.838 1.00 0.00 C ATOM 876 C VAL A 56 1.632 7.246 3.487 1.00 0.00 C ATOM 877 O VAL A 56 1.146 6.701 4.490 1.00 0.00 O ATOM 878 CB VAL A 56 2.586 5.433 2.022 1.00 0.00 C ATOM 879 CG1 VAL A 56 3.477 4.252 2.416 1.00 0.00 C ATOM 880 CG2 VAL A 56 1.108 5.063 2.157 1.00 0.00 C ATOM 0 H VAL A 56 3.837 5.704 4.422 1.00 0.00 H new ATOM 0 HA VAL A 56 3.301 7.466 2.143 1.00 0.00 H new ATOM 0 HB VAL A 56 2.797 5.658 0.977 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.210 3.380 1.819 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.521 4.508 2.237 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.335 4.026 3.473 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.904 4.161 1.580 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.872 4.883 3.206 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.493 5.881 1.782 1.00 0.00 H new ATOM 890 N ALA A 57 1.081 8.293 2.885 1.00 0.00 N ATOM 891 CA ALA A 57 -0.147 8.902 3.364 1.00 0.00 C ATOM 892 C ALA A 57 -1.351 8.080 2.931 1.00 0.00 C ATOM 893 O ALA A 57 -1.403 7.581 1.805 1.00 0.00 O ATOM 894 CB ALA A 57 -0.262 10.316 2.831 1.00 0.00 C ATOM 0 H ALA A 57 1.473 8.739 2.056 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.122 8.932 4.453 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.185 10.768 3.194 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.589 10.904 3.174 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.272 10.294 1.741 1.00 0.00 H new ATOM 900 N ASP A 58 -2.314 7.928 3.829 1.00 0.00 N ATOM 901 CA ASP A 58 -3.498 7.144 3.524 1.00 0.00 C ATOM 902 C ASP A 58 -4.292 7.728 2.362 1.00 0.00 C ATOM 903 O ASP A 58 -5.187 7.074 1.832 1.00 0.00 O ATOM 904 CB ASP A 58 -4.409 7.011 4.742 1.00 0.00 C ATOM 905 CG ASP A 58 -3.640 6.726 6.017 1.00 0.00 C ATOM 906 OD1 ASP A 58 -2.938 7.637 6.504 1.00 0.00 O ATOM 907 OD2 ASP A 58 -3.740 5.591 6.530 1.00 0.00 O ATOM 0 H ASP A 58 -2.298 8.333 4.765 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.140 6.156 3.234 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.981 7.930 4.865 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.127 6.209 4.568 1.00 0.00 H new ATOM 912 N ASN A 59 -3.988 8.958 1.975 1.00 0.00 N ATOM 913 CA ASN A 59 -4.713 9.590 0.884 1.00 0.00 C ATOM 914 C ASN A 59 -3.970 9.469 -0.448 1.00 0.00 C ATOM 915 O ASN A 59 -4.253 10.208 -1.389 1.00 0.00 O ATOM 916 CB ASN A 59 -4.975 11.064 1.203 1.00 0.00 C ATOM 917 CG ASN A 59 -6.185 11.256 2.095 1.00 0.00 C ATOM 918 OD1 ASN A 59 -6.281 10.660 3.168 1.00 0.00 O ATOM 919 ND2 ASN A 59 -7.118 12.091 1.654 1.00 0.00 N ATOM 0 H ASN A 59 -3.255 9.531 2.393 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.663 9.065 0.781 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -4.097 11.489 1.690 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.122 11.614 0.273 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -7.956 12.260 2.211 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -6.997 12.564 0.758 1.00 0.00 H new ATOM 926 N GLU A 60 -3.023 8.535 -0.529 1.00 0.00 N ATOM 927 CA GLU A 60 -2.258 8.336 -1.757 1.00 0.00 C ATOM 928 C GLU A 60 -2.888 7.248 -2.629 1.00 0.00 C ATOM 929 O GLU A 60 -3.151 6.139 -2.160 1.00 0.00 O ATOM 930 CB GLU A 60 -0.814 7.970 -1.419 1.00 0.00 C ATOM 931 CG GLU A 60 -0.052 9.086 -0.722 1.00 0.00 C ATOM 932 CD GLU A 60 1.250 9.429 -1.421 1.00 0.00 C ATOM 933 OE1 GLU A 60 2.189 9.886 -0.736 1.00 0.00 O ATOM 934 OE2 GLU A 60 1.330 9.241 -2.653 1.00 0.00 O ATOM 0 H GLU A 60 -2.769 7.909 0.235 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.269 9.269 -2.321 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.811 7.086 -0.781 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.291 7.702 -2.337 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.680 9.976 -0.675 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.159 8.790 0.306 1.00 0.00 H new ATOM 941 N ARG A 61 -3.130 7.570 -3.900 1.00 0.00 N ATOM 942 CA ARG A 61 -3.732 6.619 -4.835 1.00 0.00 C ATOM 943 C ARG A 61 -2.833 5.400 -5.011 1.00 0.00 C ATOM 944 O ARG A 61 -1.611 5.529 -5.092 1.00 0.00 O ATOM 945 CB ARG A 61 -3.993 7.289 -6.188 1.00 0.00 C ATOM 946 CG ARG A 61 -5.464 7.547 -6.469 1.00 0.00 C ATOM 947 CD ARG A 61 -5.657 8.773 -7.349 1.00 0.00 C ATOM 948 NE ARG A 61 -6.726 9.640 -6.858 1.00 0.00 N ATOM 949 CZ ARG A 61 -6.856 10.921 -7.193 1.00 0.00 C ATOM 950 NH1 ARG A 61 -5.989 11.488 -8.024 1.00 0.00 N ATOM 951 NH2 ARG A 61 -7.856 11.638 -6.699 1.00 0.00 N ATOM 0 H ARG A 61 -2.919 8.482 -4.306 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.685 6.289 -4.422 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.454 8.236 -6.225 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.586 6.660 -6.979 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.901 6.675 -6.957 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.996 7.686 -5.528 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.725 9.337 -7.394 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.887 8.456 -8.366 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.414 9.239 -6.220 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.219 10.941 -8.409 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.093 12.470 -8.278 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.526 11.208 -6.062 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.955 12.620 -6.956 1.00 0.00 H new ATOM 965 N MET A 62 -3.445 4.216 -5.073 1.00 0.00 N ATOM 966 CA MET A 62 -2.697 2.964 -5.229 1.00 0.00 C ATOM 967 C MET A 62 -1.468 3.164 -6.098 1.00 0.00 C ATOM 968 O MET A 62 -0.350 3.276 -5.593 1.00 0.00 O ATOM 969 CB MET A 62 -3.590 1.874 -5.808 1.00 0.00 C ATOM 970 CG MET A 62 -3.934 0.792 -4.800 1.00 0.00 C ATOM 971 SD MET A 62 -4.710 1.447 -3.308 1.00 0.00 S ATOM 972 CE MET A 62 -3.288 1.660 -2.242 1.00 0.00 C ATOM 0 H MET A 62 -4.456 4.096 -5.018 1.00 0.00 H new ATOM 0 HA MET A 62 -2.362 2.649 -4.241 1.00 0.00 H new ATOM 0 HB2 MET A 62 -4.511 2.325 -6.178 1.00 0.00 H new ATOM 0 HB3 MET A 62 -3.091 1.420 -6.664 1.00 0.00 H new ATOM 0 HG2 MET A 62 -4.604 0.069 -5.265 1.00 0.00 H new ATOM 0 HG3 MET A 62 -3.026 0.255 -4.526 1.00 0.00 H new ATOM 0 HE1 MET A 62 -3.420 1.067 -1.337 1.00 0.00 H new ATOM 0 HE2 MET A 62 -2.389 1.331 -2.764 1.00 0.00 H new ATOM 0 HE3 MET A 62 -3.188 2.712 -1.975 1.00 0.00 H new ATOM 982 N PHE A 63 -1.676 3.224 -7.402 1.00 0.00 N ATOM 983 CA PHE A 63 -0.553 3.426 -8.320 1.00 0.00 C ATOM 984 C PHE A 63 0.201 4.710 -7.986 1.00 0.00 C ATOM 985 O PHE A 63 1.417 4.782 -8.165 1.00 0.00 O ATOM 986 CB PHE A 63 -0.989 3.489 -9.790 1.00 0.00 C ATOM 987 CG PHE A 63 -2.314 2.862 -10.097 1.00 0.00 C ATOM 988 CD1 PHE A 63 -2.685 1.656 -9.528 1.00 0.00 C ATOM 989 CD2 PHE A 63 -3.184 3.485 -10.970 1.00 0.00 C ATOM 990 CE1 PHE A 63 -3.904 1.085 -9.828 1.00 0.00 C ATOM 991 CE2 PHE A 63 -4.404 2.921 -11.274 1.00 0.00 C ATOM 992 CZ PHE A 63 -4.766 1.718 -10.703 1.00 0.00 C ATOM 0 H PHE A 63 -2.589 3.139 -7.848 1.00 0.00 H new ATOM 0 HA PHE A 63 0.095 2.559 -8.189 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -1.022 4.534 -10.097 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -0.227 3.002 -10.398 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -2.014 1.158 -8.843 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.905 4.426 -11.420 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -4.185 0.144 -9.379 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.075 3.419 -11.958 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.721 1.272 -10.939 1.00 0.00 H new ATOM 1002 N ASP A 64 -0.513 5.727 -7.493 1.00 0.00 N ATOM 1003 CA ASP A 64 0.127 6.994 -7.154 1.00 0.00 C ATOM 1004 C ASP A 64 1.273 6.751 -6.193 1.00 0.00 C ATOM 1005 O ASP A 64 2.324 7.386 -6.281 1.00 0.00 O ATOM 1006 CB ASP A 64 -0.874 7.976 -6.547 1.00 0.00 C ATOM 1007 CG ASP A 64 -1.542 8.842 -7.597 1.00 0.00 C ATOM 1008 OD1 ASP A 64 -1.555 8.438 -8.779 1.00 0.00 O ATOM 1009 OD2 ASP A 64 -2.052 9.924 -7.238 1.00 0.00 O ATOM 0 H ASP A 64 -1.518 5.696 -7.323 1.00 0.00 H new ATOM 0 HA ASP A 64 0.514 7.437 -8.072 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.636 7.422 -5.998 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.362 8.613 -5.826 1.00 0.00 H new ATOM 1014 N VAL A 65 1.068 5.803 -5.292 1.00 0.00 N ATOM 1015 CA VAL A 65 2.089 5.441 -4.331 1.00 0.00 C ATOM 1016 C VAL A 65 3.116 4.540 -4.997 1.00 0.00 C ATOM 1017 O VAL A 65 4.289 4.536 -4.633 1.00 0.00 O ATOM 1018 CB VAL A 65 1.495 4.701 -3.114 1.00 0.00 C ATOM 1019 CG1 VAL A 65 2.482 4.699 -1.958 1.00 0.00 C ATOM 1020 CG2 VAL A 65 0.166 5.316 -2.689 1.00 0.00 C ATOM 0 H VAL A 65 0.201 5.272 -5.209 1.00 0.00 H new ATOM 0 HA VAL A 65 2.553 6.363 -3.980 1.00 0.00 H new ATOM 0 HB VAL A 65 1.305 3.669 -3.407 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.046 4.173 -1.109 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.400 4.197 -2.264 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.709 5.726 -1.671 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.228 4.773 -1.830 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.318 6.361 -2.420 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.544 5.254 -3.514 1.00 0.00 H new ATOM 1030 N LEU A 66 2.652 3.776 -5.985 1.00 0.00 N ATOM 1031 CA LEU A 66 3.504 2.853 -6.718 1.00 0.00 C ATOM 1032 C LEU A 66 4.356 3.576 -7.762 1.00 0.00 C ATOM 1033 O LEU A 66 5.243 2.978 -8.370 1.00 0.00 O ATOM 1034 CB LEU A 66 2.635 1.784 -7.386 1.00 0.00 C ATOM 1035 CG LEU A 66 2.952 0.346 -6.976 1.00 0.00 C ATOM 1036 CD1 LEU A 66 2.454 0.070 -5.564 1.00 0.00 C ATOM 1037 CD2 LEU A 66 2.338 -0.637 -7.962 1.00 0.00 C ATOM 0 H LEU A 66 1.680 3.782 -6.295 1.00 0.00 H new ATOM 0 HA LEU A 66 4.189 2.383 -6.012 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.590 1.990 -7.155 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.745 1.871 -8.467 1.00 0.00 H new ATOM 0 HG LEU A 66 4.034 0.215 -6.989 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.689 -0.959 -5.290 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.941 0.752 -4.867 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.375 0.219 -5.523 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.574 -1.656 -7.655 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.256 -0.505 -7.981 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.744 -0.455 -8.957 1.00 0.00 H new ATOM 1049 N GLN A 67 4.080 4.860 -7.972 1.00 0.00 N ATOM 1050 CA GLN A 67 4.822 5.651 -8.947 1.00 0.00 C ATOM 1051 C GLN A 67 6.038 6.325 -8.315 1.00 0.00 C ATOM 1052 O GLN A 67 7.014 6.627 -9.000 1.00 0.00 O ATOM 1053 CB GLN A 67 3.910 6.707 -9.574 1.00 0.00 C ATOM 1054 CG GLN A 67 4.593 7.544 -10.642 1.00 0.00 C ATOM 1055 CD GLN A 67 3.626 8.037 -11.702 1.00 0.00 C ATOM 1056 OE1 GLN A 67 3.780 7.738 -12.886 1.00 0.00 O ATOM 1057 NE2 GLN A 67 2.624 8.799 -11.279 1.00 0.00 N ATOM 0 H GLN A 67 3.349 5.374 -7.480 1.00 0.00 H new ATOM 0 HA GLN A 67 5.178 4.972 -9.722 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.043 6.212 -10.011 1.00 0.00 H new ATOM 0 HB3 GLN A 67 3.539 7.367 -8.790 1.00 0.00 H new ATOM 0 HG2 GLN A 67 5.079 8.399 -10.173 1.00 0.00 H new ATOM 0 HG3 GLN A 67 5.376 6.953 -11.116 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.536 9.021 -10.287 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.943 9.162 -11.946 1.00 0.00 H new ATOM 1066 N ARG A 68 5.975 6.563 -7.008 1.00 0.00 N ATOM 1067 CA ARG A 68 7.076 7.208 -6.300 1.00 0.00 C ATOM 1068 C ARG A 68 8.278 6.274 -6.178 1.00 0.00 C ATOM 1069 O ARG A 68 9.422 6.725 -6.141 1.00 0.00 O ATOM 1070 CB ARG A 68 6.622 7.672 -4.913 1.00 0.00 C ATOM 1071 CG ARG A 68 6.272 6.533 -3.968 1.00 0.00 C ATOM 1072 CD ARG A 68 6.764 6.807 -2.555 1.00 0.00 C ATOM 1073 NE ARG A 68 7.760 5.830 -2.121 1.00 0.00 N ATOM 1074 CZ ARG A 68 9.068 5.951 -2.340 1.00 0.00 C ATOM 1075 NH1 ARG A 68 9.547 6.999 -2.999 1.00 0.00 N ATOM 1076 NH2 ARG A 68 9.902 5.018 -1.899 1.00 0.00 N ATOM 0 H ARG A 68 5.177 6.320 -6.420 1.00 0.00 H new ATOM 0 HA ARG A 68 7.382 8.078 -6.880 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.413 8.273 -4.465 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.752 8.320 -5.024 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.192 6.388 -3.956 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.714 5.606 -4.335 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.194 7.807 -2.509 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.918 6.792 -1.868 1.00 0.00 H new ATOM 0 HE ARG A 68 7.433 5.004 -1.619 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.912 7.720 -3.342 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.550 7.084 -3.162 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.541 4.209 -1.393 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.904 5.109 -2.066 1.00 0.00 H new ATOM 1090 N PHE A 69 8.013 4.972 -6.122 1.00 0.00 N ATOM 1091 CA PHE A 69 9.081 3.984 -6.011 1.00 0.00 C ATOM 1092 C PHE A 69 9.980 4.026 -7.242 1.00 0.00 C ATOM 1093 O PHE A 69 11.205 4.076 -7.128 1.00 0.00 O ATOM 1094 CB PHE A 69 8.496 2.579 -5.851 1.00 0.00 C ATOM 1095 CG PHE A 69 7.647 2.403 -4.621 1.00 0.00 C ATOM 1096 CD1 PHE A 69 6.291 2.671 -4.657 1.00 0.00 C ATOM 1097 CD2 PHE A 69 8.204 1.950 -3.436 1.00 0.00 C ATOM 1098 CE1 PHE A 69 5.507 2.492 -3.534 1.00 0.00 C ATOM 1099 CE2 PHE A 69 7.427 1.773 -2.307 1.00 0.00 C ATOM 1100 CZ PHE A 69 6.075 2.044 -2.361 1.00 0.00 C ATOM 0 H PHE A 69 7.073 4.578 -6.151 1.00 0.00 H new ATOM 0 HA PHE A 69 9.675 4.226 -5.129 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.896 2.345 -6.730 1.00 0.00 H new ATOM 0 HB3 PHE A 69 9.313 1.858 -5.822 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.840 3.024 -5.573 1.00 0.00 H new ATOM 0 HD2 PHE A 69 9.261 1.732 -3.394 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.449 2.703 -3.575 1.00 0.00 H new ATOM 0 HE2 PHE A 69 7.875 1.425 -1.388 1.00 0.00 H new ATOM 0 HZ PHE A 69 5.461 1.905 -1.483 1.00 0.00 H new ATOM 1110 N GLY A 70 9.362 4.006 -8.419 1.00 0.00 N ATOM 1111 CA GLY A 70 10.118 4.042 -9.656 1.00 0.00 C ATOM 1112 C GLY A 70 9.563 3.093 -10.699 1.00 0.00 C ATOM 1113 O GLY A 70 8.369 2.792 -10.700 1.00 0.00 O ATOM 0 H GLY A 70 8.350 3.965 -8.537 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.113 5.057 -10.053 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.157 3.785 -9.451 1.00 0.00 H new ATOM 1117 N SER A 71 10.429 2.617 -11.588 1.00 0.00 N ATOM 1118 CA SER A 71 10.015 1.695 -12.639 1.00 0.00 C ATOM 1119 C SER A 71 9.507 0.387 -12.042 1.00 0.00 C ATOM 1120 O SER A 71 8.528 -0.187 -12.519 1.00 0.00 O ATOM 1121 CB SER A 71 11.179 1.416 -13.591 1.00 0.00 C ATOM 1122 OG SER A 71 11.662 2.617 -14.171 1.00 0.00 O ATOM 0 H SER A 71 11.421 2.854 -11.601 1.00 0.00 H new ATOM 0 HA SER A 71 9.203 2.160 -13.198 1.00 0.00 H new ATOM 0 HB2 SER A 71 11.985 0.920 -13.050 1.00 0.00 H new ATOM 0 HB3 SER A 71 10.855 0.733 -14.377 1.00 0.00 H new ATOM 0 HG SER A 71 12.407 2.413 -14.774 1.00 0.00 H new ATOM 1128 N GLN A 72 10.178 -0.078 -10.992 1.00 0.00 N ATOM 1129 CA GLN A 72 9.793 -1.317 -10.327 1.00 0.00 C ATOM 1130 C GLN A 72 8.647 -1.074 -9.351 1.00 0.00 C ATOM 1131 O GLN A 72 8.856 -0.998 -8.139 1.00 0.00 O ATOM 1132 CB GLN A 72 10.991 -1.919 -9.589 1.00 0.00 C ATOM 1133 CG GLN A 72 12.259 -1.972 -10.425 1.00 0.00 C ATOM 1134 CD GLN A 72 13.497 -1.608 -9.630 1.00 0.00 C ATOM 1135 OE1 GLN A 72 14.313 -2.469 -9.299 1.00 0.00 O ATOM 1136 NE2 GLN A 72 13.644 -0.325 -9.318 1.00 0.00 N ATOM 0 H GLN A 72 10.990 0.385 -10.584 1.00 0.00 H new ATOM 0 HA GLN A 72 9.456 -2.021 -11.088 1.00 0.00 H new ATOM 0 HB2 GLN A 72 11.184 -1.334 -8.689 1.00 0.00 H new ATOM 0 HB3 GLN A 72 10.737 -2.928 -9.265 1.00 0.00 H new ATOM 0 HG2 GLN A 72 12.377 -2.975 -10.836 1.00 0.00 H new ATOM 0 HG3 GLN A 72 12.161 -1.291 -11.270 1.00 0.00 H new ATOM 0 HE21 GLN A 72 12.943 0.355 -9.613 1.00 0.00 H new ATOM 0 HE22 GLN A 72 14.458 -0.020 -8.784 1.00 0.00 H new ATOM 1145 N ARG A 73 7.438 -0.949 -9.886 1.00 0.00 N ATOM 1146 CA ARG A 73 6.258 -0.711 -9.062 1.00 0.00 C ATOM 1147 C ARG A 73 5.846 -1.975 -8.313 1.00 0.00 C ATOM 1148 O ARG A 73 5.240 -1.903 -7.244 1.00 0.00 O ATOM 1149 CB ARG A 73 5.101 -0.210 -9.929 1.00 0.00 C ATOM 1150 CG ARG A 73 4.601 -1.238 -10.931 1.00 0.00 C ATOM 1151 CD ARG A 73 4.107 -0.579 -12.210 1.00 0.00 C ATOM 1152 NE ARG A 73 3.219 0.551 -11.939 1.00 0.00 N ATOM 1153 CZ ARG A 73 3.610 1.825 -11.929 1.00 0.00 C ATOM 1154 NH1 ARG A 73 4.877 2.147 -12.159 1.00 0.00 N ATOM 1155 NH2 ARG A 73 2.727 2.785 -11.682 1.00 0.00 N ATOM 0 H ARG A 73 7.249 -1.008 -10.887 1.00 0.00 H new ATOM 0 HA ARG A 73 6.508 0.053 -8.325 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.275 0.086 -9.282 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.421 0.683 -10.466 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.404 -1.937 -11.168 1.00 0.00 H new ATOM 0 HG3 ARG A 73 3.794 -1.819 -10.485 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.961 -0.236 -12.794 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.581 -1.316 -12.817 1.00 0.00 H new ATOM 0 HE ARG A 73 2.238 0.351 -11.745 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.563 1.416 -12.346 1.00 0.00 H new ATOM 0 HH12 ARG A 73 5.164 3.126 -12.149 1.00 0.00 H new ATOM 0 HH21 ARG A 73 1.752 2.547 -11.500 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.024 3.761 -11.674 1.00 0.00 H new ATOM 1169 N ASN A 74 6.184 -3.132 -8.874 1.00 0.00 N ATOM 1170 CA ASN A 74 5.854 -4.410 -8.253 1.00 0.00 C ATOM 1171 C ASN A 74 7.042 -4.943 -7.456 1.00 0.00 C ATOM 1172 O ASN A 74 7.318 -6.142 -7.460 1.00 0.00 O ATOM 1173 CB ASN A 74 5.437 -5.427 -9.316 1.00 0.00 C ATOM 1174 CG ASN A 74 4.187 -5.004 -10.062 1.00 0.00 C ATOM 1175 OD1 ASN A 74 4.262 -4.377 -11.119 1.00 0.00 O ATOM 1176 ND2 ASN A 74 3.026 -5.345 -9.514 1.00 0.00 N ATOM 0 H ASN A 74 6.687 -3.211 -9.758 1.00 0.00 H new ATOM 0 HA ASN A 74 5.019 -4.252 -7.570 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.253 -5.561 -10.026 1.00 0.00 H new ATOM 0 HB3 ASN A 74 5.265 -6.393 -8.842 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.151 -5.087 -9.971 1.00 0.00 H new ATOM 0 HD22 ASN A 74 3.009 -5.865 -8.637 1.00 0.00 H new ATOM 1183 N GLU A 75 7.742 -4.038 -6.780 1.00 0.00 N ATOM 1184 CA GLU A 75 8.908 -4.404 -5.980 1.00 0.00 C ATOM 1185 C GLU A 75 8.844 -3.780 -4.588 1.00 0.00 C ATOM 1186 O GLU A 75 9.813 -3.842 -3.834 1.00 0.00 O ATOM 1187 CB GLU A 75 10.183 -3.928 -6.673 1.00 0.00 C ATOM 1188 CG GLU A 75 11.411 -4.756 -6.327 1.00 0.00 C ATOM 1189 CD GLU A 75 12.029 -5.420 -7.542 1.00 0.00 C ATOM 1190 OE1 GLU A 75 13.263 -5.323 -7.708 1.00 0.00 O ATOM 1191 OE2 GLU A 75 11.279 -6.037 -8.328 1.00 0.00 O ATOM 0 H GLU A 75 7.522 -3.042 -6.770 1.00 0.00 H new ATOM 0 HA GLU A 75 8.914 -5.489 -5.880 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.031 -3.953 -7.752 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.368 -2.889 -6.401 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.154 -4.116 -5.851 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.136 -5.521 -5.600 1.00 0.00 H new ATOM 1198 N VAL A 76 7.713 -3.163 -4.263 1.00 0.00 N ATOM 1199 CA VAL A 76 7.545 -2.503 -2.971 1.00 0.00 C ATOM 1200 C VAL A 76 6.671 -3.312 -2.022 1.00 0.00 C ATOM 1201 O VAL A 76 5.909 -4.183 -2.439 1.00 0.00 O ATOM 1202 CB VAL A 76 6.939 -1.086 -3.131 1.00 0.00 C ATOM 1203 CG1 VAL A 76 6.556 -0.817 -4.579 1.00 0.00 C ATOM 1204 CG2 VAL A 76 5.742 -0.869 -2.198 1.00 0.00 C ATOM 0 H VAL A 76 6.899 -3.106 -4.875 1.00 0.00 H new ATOM 0 HA VAL A 76 8.544 -2.422 -2.542 1.00 0.00 H new ATOM 0 HB VAL A 76 7.709 -0.370 -2.843 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.133 0.184 -4.664 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.442 -0.891 -5.210 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.818 -1.551 -4.903 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.346 0.137 -2.341 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.966 -1.600 -2.426 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.061 -0.989 -1.163 1.00 0.00 H new ATOM 1214 N ARG A 77 6.761 -2.968 -0.744 1.00 0.00 N ATOM 1215 CA ARG A 77 5.959 -3.600 0.286 1.00 0.00 C ATOM 1216 C ARG A 77 5.123 -2.539 0.986 1.00 0.00 C ATOM 1217 O ARG A 77 5.622 -1.461 1.297 1.00 0.00 O ATOM 1218 CB ARG A 77 6.853 -4.326 1.294 1.00 0.00 C ATOM 1219 CG ARG A 77 7.544 -5.551 0.721 1.00 0.00 C ATOM 1220 CD ARG A 77 8.787 -5.913 1.517 1.00 0.00 C ATOM 1221 NE ARG A 77 9.633 -6.871 0.809 1.00 0.00 N ATOM 1222 CZ ARG A 77 10.464 -6.538 -0.176 1.00 0.00 C ATOM 1223 NH1 ARG A 77 10.564 -5.275 -0.571 1.00 0.00 N ATOM 1224 NH2 ARG A 77 11.198 -7.471 -0.767 1.00 0.00 N ATOM 0 H ARG A 77 7.391 -2.245 -0.397 1.00 0.00 H new ATOM 0 HA ARG A 77 5.301 -4.338 -0.172 1.00 0.00 H new ATOM 0 HB2 ARG A 77 7.608 -3.632 1.663 1.00 0.00 H new ATOM 0 HB3 ARG A 77 6.250 -4.627 2.151 1.00 0.00 H new ATOM 0 HG2 ARG A 77 6.852 -6.394 0.721 1.00 0.00 H new ATOM 0 HG3 ARG A 77 7.817 -5.363 -0.317 1.00 0.00 H new ATOM 0 HD2 ARG A 77 9.360 -5.009 1.725 1.00 0.00 H new ATOM 0 HD3 ARG A 77 8.492 -6.332 2.479 1.00 0.00 H new ATOM 0 HE ARG A 77 9.584 -7.852 1.086 1.00 0.00 H new ATOM 0 HH11 ARG A 77 10.002 -4.553 -0.119 1.00 0.00 H new ATOM 0 HH12 ARG A 77 11.203 -5.026 -1.326 1.00 0.00 H new ATOM 0 HH21 ARG A 77 11.126 -8.443 -0.467 1.00 0.00 H new ATOM 0 HH22 ARG A 77 11.835 -7.217 -1.522 1.00 0.00 H new ATOM 1238 N PHE A 78 3.853 -2.836 1.227 1.00 0.00 N ATOM 1239 CA PHE A 78 2.973 -1.899 1.900 1.00 0.00 C ATOM 1240 C PHE A 78 2.638 -2.447 3.275 1.00 0.00 C ATOM 1241 O PHE A 78 2.459 -3.648 3.434 1.00 0.00 O ATOM 1242 CB PHE A 78 1.725 -1.646 1.062 1.00 0.00 C ATOM 1243 CG PHE A 78 2.025 -0.857 -0.179 1.00 0.00 C ATOM 1244 CD1 PHE A 78 2.113 0.525 -0.128 1.00 0.00 C ATOM 1245 CD2 PHE A 78 2.225 -1.495 -1.392 1.00 0.00 C ATOM 1246 CE1 PHE A 78 2.396 1.255 -1.266 1.00 0.00 C ATOM 1247 CE2 PHE A 78 2.509 -0.769 -2.533 1.00 0.00 C ATOM 1248 CZ PHE A 78 2.594 0.609 -2.470 1.00 0.00 C ATOM 0 H PHE A 78 3.413 -3.718 0.966 1.00 0.00 H new ATOM 0 HA PHE A 78 3.469 -0.936 2.023 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.277 -2.600 0.784 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.989 -1.110 1.662 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.959 1.036 0.811 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.158 -2.572 -1.447 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.462 2.332 -1.214 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.664 -1.278 -3.473 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.815 1.179 -3.360 1.00 0.00 H new ATOM 1258 N PHE A 79 2.633 -1.582 4.279 1.00 0.00 N ATOM 1259 CA PHE A 79 2.399 -2.027 5.654 1.00 0.00 C ATOM 1260 C PHE A 79 1.555 -1.029 6.440 1.00 0.00 C ATOM 1261 O PHE A 79 1.693 0.182 6.276 1.00 0.00 O ATOM 1262 CB PHE A 79 3.757 -2.252 6.335 1.00 0.00 C ATOM 1263 CG PHE A 79 4.896 -2.197 5.353 1.00 0.00 C ATOM 1264 CD1 PHE A 79 5.160 -1.024 4.668 1.00 0.00 C ATOM 1265 CD2 PHE A 79 5.661 -3.318 5.073 1.00 0.00 C ATOM 1266 CE1 PHE A 79 6.163 -0.959 3.726 1.00 0.00 C ATOM 1267 CE2 PHE A 79 6.676 -3.261 4.138 1.00 0.00 C ATOM 1268 CZ PHE A 79 6.926 -2.083 3.466 1.00 0.00 C ATOM 0 H PHE A 79 2.786 -0.579 4.175 1.00 0.00 H new ATOM 0 HA PHE A 79 1.835 -2.960 5.631 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.906 -1.496 7.106 1.00 0.00 H new ATOM 0 HB3 PHE A 79 3.756 -3.221 6.835 1.00 0.00 H new ATOM 0 HD1 PHE A 79 4.569 -0.144 4.876 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.462 -4.245 5.591 1.00 0.00 H new ATOM 0 HE1 PHE A 79 6.352 -0.038 3.195 1.00 0.00 H new ATOM 0 HE2 PHE A 79 7.273 -4.138 3.934 1.00 0.00 H new ATOM 0 HZ PHE A 79 7.720 -2.038 2.735 1.00 0.00 H new ATOM 1278 N LEU A 80 0.676 -1.548 7.295 1.00 0.00 N ATOM 1279 CA LEU A 80 -0.193 -0.692 8.097 1.00 0.00 C ATOM 1280 C LEU A 80 0.432 -0.390 9.455 1.00 0.00 C ATOM 1281 O LEU A 80 0.761 -1.301 10.216 1.00 0.00 O ATOM 1282 CB LEU A 80 -1.560 -1.357 8.283 1.00 0.00 C ATOM 1283 CG LEU A 80 -2.772 -0.472 7.971 1.00 0.00 C ATOM 1284 CD1 LEU A 80 -3.035 0.503 9.110 1.00 0.00 C ATOM 1285 CD2 LEU A 80 -2.570 0.273 6.657 1.00 0.00 C ATOM 0 H LEU A 80 0.548 -2.548 7.449 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.322 0.251 7.567 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.604 -2.241 7.647 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.640 -1.702 9.314 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.646 -1.115 7.867 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.899 1.121 8.867 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.232 -0.053 10.027 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.162 1.140 9.253 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.441 0.895 6.454 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.683 0.903 6.728 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.441 -0.445 5.848 1.00 0.00 H new ATOM 1297 N ARG A 81 0.594 0.898 9.751 1.00 0.00 N ATOM 1298 CA ARG A 81 1.180 1.323 11.017 1.00 0.00 C ATOM 1299 C ARG A 81 0.103 1.819 11.975 1.00 0.00 C ATOM 1300 O ARG A 81 -0.477 2.887 11.776 1.00 0.00 O ATOM 1301 CB ARG A 81 2.214 2.425 10.780 1.00 0.00 C ATOM 1302 CG ARG A 81 3.188 2.112 9.653 1.00 0.00 C ATOM 1303 CD ARG A 81 4.627 2.385 10.063 1.00 0.00 C ATOM 1304 NE ARG A 81 5.334 1.160 10.432 1.00 0.00 N ATOM 1305 CZ ARG A 81 6.511 1.142 11.052 1.00 0.00 C ATOM 1306 NH1 ARG A 81 7.118 2.278 11.374 1.00 0.00 N ATOM 1307 NH2 ARG A 81 7.084 -0.016 11.351 1.00 0.00 N ATOM 0 H ARG A 81 0.328 1.663 9.131 1.00 0.00 H new ATOM 0 HA ARG A 81 1.674 0.462 11.467 1.00 0.00 H new ATOM 0 HB2 ARG A 81 1.695 3.356 10.553 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.776 2.589 11.700 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.084 1.067 9.362 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.938 2.713 8.778 1.00 0.00 H new ATOM 0 HD2 ARG A 81 5.152 2.873 9.241 1.00 0.00 H new ATOM 0 HD3 ARG A 81 4.639 3.078 10.904 1.00 0.00 H new ATOM 0 HE ARG A 81 4.900 0.267 10.201 1.00 0.00 H new ATOM 0 HH11 ARG A 81 6.682 3.172 11.146 1.00 0.00 H new ATOM 0 HH12 ARG A 81 8.020 2.257 11.849 1.00 0.00 H new ATOM 0 HH21 ARG A 81 6.622 -0.892 11.106 1.00 0.00 H new ATOM 0 HH22 ARG A 81 7.986 -0.031 11.826 1.00 0.00 H new