USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 420 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 38 MET CE :methyl -144:sc= -0.154 (180deg=-2.66!) USER MOD Set 1.2: A 48 MET CE :methyl 167:sc= -4.22! (180deg=-5.08!) USER MOD Set 2.1: A 20 THR OG1 : rot 89:sc= 0.586 USER MOD Set 2.2: A 51 TYR OH : rot 60:sc= 0.517 USER MOD Single : A 11 THR OG1 : rot 180:sc= -3.38! USER MOD Single : A 14 GLN :FLIP amide:sc= -0.146 F(o=-0.84,f=-0.15) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -1.36 K(o=-1.4,f=-4.4!) USER MOD Single : A 22 SER OG : rot 89:sc= 1.28 USER MOD Single : A 24 LYS NZ :NH3+ -155:sc= 0.592 (180deg=0.272) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -64:sc= 1.06 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -52:sc= 0.154 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0.0281 USER MOD Single : A 47 GLN :FLIP amide:sc= -0.0551 F(o=-1.3!,f=-0.055) USER MOD Single : A 52 TYR OH : rot -117:sc= 0.0553 USER MOD Single : A 58 GLN : amide:sc= -0.0508 X(o=-0.051,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 139 N LEU A 10 -10.090 8.781 4.588 1.00 0.00 N ATOM 140 CA LEU A 10 -10.524 8.273 3.330 1.00 0.00 C ATOM 141 C LEU A 10 -11.404 7.075 3.569 1.00 0.00 C ATOM 142 O LEU A 10 -11.579 6.650 4.720 1.00 0.00 O ATOM 143 CB LEU A 10 -9.339 7.869 2.440 1.00 0.00 C ATOM 144 CG LEU A 10 -8.049 8.686 2.519 1.00 0.00 C ATOM 145 CD1 LEU A 10 -7.215 8.245 3.706 1.00 0.00 C ATOM 146 CD2 LEU A 10 -7.267 8.548 1.238 1.00 0.00 C ATOM 0 HA LEU A 10 -11.074 9.059 2.812 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.089 6.834 2.672 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.681 7.890 1.405 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.307 9.736 2.655 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.300 8.836 3.748 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.784 8.391 4.624 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.961 7.190 3.600 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.351 9.134 1.306 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.016 7.500 1.076 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.868 8.910 0.404 1.00 0.00 H new ATOM 158 N THR A 11 -11.962 6.538 2.518 1.00 0.00 N ATOM 159 CA THR A 11 -12.806 5.380 2.644 1.00 0.00 C ATOM 160 C THR A 11 -11.987 4.173 2.243 1.00 0.00 C ATOM 161 O THR A 11 -10.835 4.334 1.834 1.00 0.00 O ATOM 162 CB THR A 11 -14.084 5.482 1.753 1.00 0.00 C ATOM 163 OG1 THR A 11 -13.757 5.178 0.392 1.00 0.00 O ATOM 164 CG2 THR A 11 -14.648 6.898 1.772 1.00 0.00 C ATOM 0 H THR A 11 -11.848 6.883 1.565 1.00 0.00 H new ATOM 0 HA THR A 11 -13.152 5.299 3.675 1.00 0.00 H new ATOM 0 HB THR A 11 -14.816 4.778 2.150 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.564 5.242 -0.161 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.538 6.944 1.144 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.911 7.171 2.794 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.899 7.593 1.392 1.00 0.00 H new ATOM 172 N PHE A 12 -12.562 2.990 2.320 1.00 0.00 N ATOM 173 CA PHE A 12 -11.840 1.778 1.972 1.00 0.00 C ATOM 174 C PHE A 12 -11.433 1.792 0.505 1.00 0.00 C ATOM 175 O PHE A 12 -10.330 1.412 0.115 1.00 0.00 O ATOM 176 CB PHE A 12 -12.661 0.523 2.310 1.00 0.00 C ATOM 177 CG PHE A 12 -11.980 -0.775 1.949 1.00 0.00 C ATOM 178 CD1 PHE A 12 -12.617 -1.713 1.159 1.00 0.00 C ATOM 179 CD2 PHE A 12 -10.704 -1.047 2.400 1.00 0.00 C ATOM 180 CE1 PHE A 12 -11.989 -2.905 0.831 1.00 0.00 C ATOM 181 CE2 PHE A 12 -10.072 -2.229 2.072 1.00 0.00 C ATOM 182 CZ PHE A 12 -10.708 -3.159 1.293 1.00 0.00 C ATOM 0 H PHE A 12 -13.525 2.840 2.620 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.931 1.746 2.572 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -12.879 0.522 3.378 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -13.617 0.576 1.789 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -13.614 -1.516 0.793 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -10.193 -0.324 3.019 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.497 -3.634 0.217 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -9.072 -2.422 2.431 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.213 -4.085 1.040 1.00 0.00 H new ATOM 192 N ASP A 13 -12.359 2.328 -0.269 1.00 0.00 N ATOM 193 CA ASP A 13 -12.167 2.543 -1.707 1.00 0.00 C ATOM 194 C ASP A 13 -11.033 3.500 -1.933 1.00 0.00 C ATOM 195 O ASP A 13 -10.179 3.282 -2.774 1.00 0.00 O ATOM 196 CB ASP A 13 -13.385 3.181 -2.372 1.00 0.00 C ATOM 197 CG ASP A 13 -14.691 2.489 -2.167 1.00 0.00 C ATOM 198 OD1 ASP A 13 -14.841 1.312 -2.535 1.00 0.00 O ATOM 199 OD2 ASP A 13 -15.619 3.149 -1.666 1.00 0.00 O ATOM 0 H ASP A 13 -13.271 2.630 0.075 1.00 0.00 H new ATOM 0 HA ASP A 13 -11.980 1.558 -2.135 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -13.479 4.203 -2.005 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -13.196 3.243 -3.444 1.00 0.00 H new ATOM 204 N GLN A 14 -11.007 4.535 -1.126 1.00 0.00 N ATOM 205 CA GLN A 14 -10.086 5.628 -1.328 1.00 0.00 C ATOM 206 C GLN A 14 -8.704 5.235 -0.895 1.00 0.00 C ATOM 207 O GLN A 14 -7.707 5.660 -1.478 1.00 0.00 O ATOM 208 CB GLN A 14 -10.559 6.879 -0.626 1.00 0.00 C ATOM 209 CG GLN A 14 -12.006 7.222 -0.941 1.00 0.00 C ATOM 210 CD GLN A 14 -12.345 7.227 -2.418 1.00 0.00 C ATOM 211 OE1 GLN A 14 -11.445 7.678 -3.229 1.00 0.00 O flip ATOM 212 NE2 GLN A 14 -13.470 6.877 -2.802 1.00 0.00 N flip ATOM 0 H GLN A 14 -11.619 4.643 -0.317 1.00 0.00 H new ATOM 0 HA GLN A 14 -10.050 5.856 -2.393 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -10.447 6.750 0.451 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.922 7.715 -0.915 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -12.654 6.506 -0.435 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -12.232 8.204 -0.526 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -14.152 6.526 -2.130 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -13.714 6.940 -3.790 1.00 0.00 H new ATOM 221 N VAL A 15 -8.653 4.428 0.148 1.00 0.00 N ATOM 222 CA VAL A 15 -7.416 3.969 0.688 1.00 0.00 C ATOM 223 C VAL A 15 -6.833 3.004 -0.280 1.00 0.00 C ATOM 224 O VAL A 15 -5.629 3.025 -0.549 1.00 0.00 O ATOM 225 CB VAL A 15 -7.556 3.346 2.092 1.00 0.00 C ATOM 226 CG1 VAL A 15 -6.262 2.680 2.456 1.00 0.00 C ATOM 227 CG2 VAL A 15 -7.846 4.428 3.117 1.00 0.00 C ATOM 0 H VAL A 15 -9.478 4.079 0.636 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.754 4.824 0.828 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.373 2.625 2.084 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.348 2.235 3.447 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.036 1.901 1.727 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.461 3.419 2.458 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.943 3.977 4.105 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.029 5.149 3.126 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.775 4.936 2.857 1.00 0.00 H new ATOM 237 N LYS A 16 -7.671 2.158 -0.818 1.00 0.00 N ATOM 238 CA LYS A 16 -7.262 1.299 -1.870 1.00 0.00 C ATOM 239 C LYS A 16 -6.699 2.110 -3.005 1.00 0.00 C ATOM 240 O LYS A 16 -5.623 1.844 -3.453 1.00 0.00 O ATOM 241 CB LYS A 16 -8.404 0.412 -2.344 1.00 0.00 C ATOM 242 CG LYS A 16 -8.633 -0.832 -1.499 1.00 0.00 C ATOM 243 CD LYS A 16 -9.618 -1.802 -2.149 1.00 0.00 C ATOM 244 CE LYS A 16 -11.009 -1.215 -2.294 1.00 0.00 C ATOM 245 NZ LYS A 16 -11.938 -2.169 -2.931 1.00 0.00 N ATOM 0 H LYS A 16 -8.645 2.054 -0.535 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.482 0.640 -1.489 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.322 1.000 -2.357 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.206 0.106 -3.371 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.681 -1.338 -1.337 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.009 -0.538 -0.519 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.245 -2.088 -3.132 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.673 -2.712 -1.552 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.391 -0.935 -1.312 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.959 -0.303 -2.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.879 -1.734 -3.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.586 -2.416 -3.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.004 -3.029 -2.350 1.00 0.00 H new ATOM 259 N GLU A 17 -7.387 3.151 -3.410 1.00 0.00 N ATOM 260 CA GLU A 17 -6.859 4.009 -4.443 1.00 0.00 C ATOM 261 C GLU A 17 -5.540 4.678 -4.045 1.00 0.00 C ATOM 262 O GLU A 17 -4.695 4.908 -4.908 1.00 0.00 O ATOM 263 CB GLU A 17 -7.854 5.041 -4.926 1.00 0.00 C ATOM 264 CG GLU A 17 -9.080 4.444 -5.561 1.00 0.00 C ATOM 265 CD GLU A 17 -9.890 5.474 -6.291 1.00 0.00 C ATOM 266 OE1 GLU A 17 -9.923 5.433 -7.525 1.00 0.00 O ATOM 267 OE2 GLU A 17 -10.468 6.364 -5.657 1.00 0.00 O ATOM 0 H GLU A 17 -8.301 3.422 -3.046 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.652 3.341 -5.279 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.157 5.663 -4.084 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.364 5.696 -5.646 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.783 3.657 -6.255 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.695 3.976 -4.793 1.00 0.00 H new ATOM 274 N GLN A 18 -5.322 4.944 -2.730 1.00 0.00 N ATOM 275 CA GLN A 18 -4.104 5.602 -2.314 1.00 0.00 C ATOM 276 C GLN A 18 -2.975 4.661 -2.496 1.00 0.00 C ATOM 277 O GLN A 18 -1.972 4.967 -3.135 1.00 0.00 O ATOM 278 CB GLN A 18 -4.184 6.259 -0.904 1.00 0.00 C ATOM 279 CG GLN A 18 -3.957 5.384 0.306 1.00 0.00 C ATOM 280 CD GLN A 18 -4.089 6.152 1.620 1.00 0.00 C ATOM 281 OE1 GLN A 18 -4.472 5.595 2.638 1.00 0.00 O ATOM 282 NE2 GLN A 18 -3.782 7.432 1.602 1.00 0.00 N ATOM 0 H GLN A 18 -5.968 4.712 -1.976 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.934 6.468 -2.954 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.454 7.068 -0.872 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -5.169 6.715 -0.805 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.674 4.563 0.296 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.963 4.940 0.247 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.465 7.868 0.736 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.861 7.987 2.454 1.00 0.00 H new ATOM 291 N LEU A 19 -3.187 3.501 -1.988 1.00 0.00 N ATOM 292 CA LEU A 19 -2.258 2.449 -2.012 1.00 0.00 C ATOM 293 C LEU A 19 -2.003 1.952 -3.413 1.00 0.00 C ATOM 294 O LEU A 19 -0.863 1.717 -3.786 1.00 0.00 O ATOM 295 CB LEU A 19 -2.774 1.371 -1.132 1.00 0.00 C ATOM 296 CG LEU A 19 -2.561 1.564 0.369 1.00 0.00 C ATOM 297 CD1 LEU A 19 -3.307 0.509 1.136 1.00 0.00 C ATOM 298 CD2 LEU A 19 -1.078 1.526 0.726 1.00 0.00 C ATOM 0 H LEU A 19 -4.061 3.255 -1.522 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.293 2.801 -1.646 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.843 1.262 -1.315 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.303 0.433 -1.427 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.948 2.546 0.643 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.149 0.656 2.204 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.372 0.582 0.914 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.943 -0.477 0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.959 1.666 1.800 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.659 0.562 0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.556 2.322 0.196 1.00 0.00 H new ATOM 310 N THR A 20 -3.063 1.849 -4.186 1.00 0.00 N ATOM 311 CA THR A 20 -2.976 1.431 -5.563 1.00 0.00 C ATOM 312 C THR A 20 -2.073 2.368 -6.311 1.00 0.00 C ATOM 313 O THR A 20 -1.046 1.955 -6.820 1.00 0.00 O ATOM 314 CB THR A 20 -4.388 1.427 -6.228 1.00 0.00 C ATOM 315 OG1 THR A 20 -5.203 0.383 -5.673 1.00 0.00 O ATOM 316 CG2 THR A 20 -4.330 1.303 -7.755 1.00 0.00 C ATOM 0 H THR A 20 -4.012 2.054 -3.873 1.00 0.00 H new ATOM 0 HA THR A 20 -2.573 0.419 -5.597 1.00 0.00 H new ATOM 0 HB THR A 20 -4.839 2.395 -6.008 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.678 0.722 -4.886 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.342 1.306 -8.159 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.772 2.144 -8.167 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.834 0.371 -8.026 1.00 0.00 H new ATOM 324 N GLU A 21 -2.397 3.636 -6.255 1.00 0.00 N ATOM 325 CA GLU A 21 -1.708 4.650 -7.014 1.00 0.00 C ATOM 326 C GLU A 21 -0.252 4.765 -6.573 1.00 0.00 C ATOM 327 O GLU A 21 0.655 4.862 -7.396 1.00 0.00 O ATOM 328 CB GLU A 21 -2.452 5.951 -6.860 1.00 0.00 C ATOM 329 CG GLU A 21 -1.933 7.094 -7.690 1.00 0.00 C ATOM 330 CD GLU A 21 -2.794 8.305 -7.536 1.00 0.00 C ATOM 331 OE1 GLU A 21 -2.463 9.194 -6.706 1.00 0.00 O ATOM 332 OE2 GLU A 21 -3.829 8.401 -8.234 1.00 0.00 O ATOM 0 H GLU A 21 -3.154 3.997 -5.675 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.688 4.379 -8.070 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.498 5.784 -7.116 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.424 6.244 -5.811 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.912 7.330 -7.391 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.899 6.800 -8.739 1.00 0.00 H new ATOM 339 N SER A 22 -0.049 4.709 -5.273 1.00 0.00 N ATOM 340 CA SER A 22 1.285 4.777 -4.697 1.00 0.00 C ATOM 341 C SER A 22 2.129 3.606 -5.187 1.00 0.00 C ATOM 342 O SER A 22 3.238 3.794 -5.685 1.00 0.00 O ATOM 343 CB SER A 22 1.211 4.792 -3.170 1.00 0.00 C ATOM 344 OG SER A 22 0.473 5.921 -2.712 1.00 0.00 O ATOM 0 H SER A 22 -0.797 4.616 -4.586 1.00 0.00 H new ATOM 0 HA SER A 22 1.759 5.704 -5.021 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.740 3.875 -2.815 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.218 4.816 -2.753 1.00 0.00 H new ATOM 0 HG SER A 22 -0.479 5.692 -2.663 1.00 0.00 H new ATOM 350 N GLY A 23 1.564 2.411 -5.112 1.00 0.00 N ATOM 351 CA GLY A 23 2.231 1.220 -5.575 1.00 0.00 C ATOM 352 C GLY A 23 2.503 1.277 -7.058 1.00 0.00 C ATOM 353 O GLY A 23 3.505 0.791 -7.521 1.00 0.00 O ATOM 0 H GLY A 23 0.633 2.247 -4.729 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.171 1.096 -5.037 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.617 0.348 -5.350 1.00 0.00 H new ATOM 357 N LYS A 24 1.590 1.897 -7.778 1.00 0.00 N ATOM 358 CA LYS A 24 1.715 2.080 -9.222 1.00 0.00 C ATOM 359 C LYS A 24 2.906 2.956 -9.572 1.00 0.00 C ATOM 360 O LYS A 24 3.579 2.726 -10.569 1.00 0.00 O ATOM 361 CB LYS A 24 0.444 2.677 -9.783 1.00 0.00 C ATOM 362 CG LYS A 24 -0.782 1.765 -9.692 1.00 0.00 C ATOM 363 CD LYS A 24 -0.807 0.637 -10.716 1.00 0.00 C ATOM 364 CE LYS A 24 -0.844 1.185 -12.119 1.00 0.00 C ATOM 365 NZ LYS A 24 -1.082 0.147 -13.135 1.00 0.00 N ATOM 0 H LYS A 24 0.736 2.291 -7.384 1.00 0.00 H new ATOM 0 HA LYS A 24 1.880 1.100 -9.670 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.230 3.606 -9.254 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.611 2.937 -10.828 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.824 1.332 -8.692 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.680 2.371 -9.815 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.074 0.007 -10.591 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.678 0.005 -10.545 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.627 1.940 -12.188 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.100 1.685 -12.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.692 0.459 -14.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.617 -0.737 -12.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.105 -0.015 -13.233 1.00 0.00 H new ATOM 379 N LYS A 25 3.181 3.940 -8.726 1.00 0.00 N ATOM 380 CA LYS A 25 4.302 4.852 -8.905 1.00 0.00 C ATOM 381 C LYS A 25 5.595 4.140 -8.579 1.00 0.00 C ATOM 382 O LYS A 25 6.555 4.161 -9.345 1.00 0.00 O ATOM 383 CB LYS A 25 4.161 6.043 -7.938 1.00 0.00 C ATOM 384 CG LYS A 25 2.914 6.898 -8.126 1.00 0.00 C ATOM 385 CD LYS A 25 2.702 7.856 -6.943 1.00 0.00 C ATOM 386 CE LYS A 25 3.849 8.851 -6.752 1.00 0.00 C ATOM 387 NZ LYS A 25 3.954 9.831 -7.851 1.00 0.00 N ATOM 0 H LYS A 25 2.628 4.129 -7.890 1.00 0.00 H new ATOM 0 HA LYS A 25 4.308 5.199 -9.938 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.168 5.662 -6.917 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.038 6.682 -8.046 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.001 7.472 -9.049 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.042 6.253 -8.233 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.774 8.408 -7.094 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.581 7.273 -6.030 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.708 9.383 -5.811 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.788 8.303 -6.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.748 10.477 -7.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.117 9.331 -8.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.071 10.377 -7.915 1.00 0.00 H new ATOM 401 N ARG A 26 5.577 3.470 -7.455 1.00 0.00 N ATOM 402 CA ARG A 26 6.777 2.861 -6.893 1.00 0.00 C ATOM 403 C ARG A 26 7.149 1.602 -7.630 1.00 0.00 C ATOM 404 O ARG A 26 8.303 1.382 -8.007 1.00 0.00 O ATOM 405 CB ARG A 26 6.562 2.505 -5.426 1.00 0.00 C ATOM 406 CG ARG A 26 6.048 3.635 -4.571 1.00 0.00 C ATOM 407 CD ARG A 26 5.820 3.175 -3.160 1.00 0.00 C ATOM 408 NE ARG A 26 7.068 2.991 -2.438 1.00 0.00 N ATOM 409 CZ ARG A 26 7.165 2.556 -1.190 1.00 0.00 C ATOM 410 NH1 ARG A 26 6.098 2.085 -0.563 1.00 0.00 N ATOM 411 NH2 ARG A 26 8.330 2.581 -0.594 1.00 0.00 N ATOM 0 H ARG A 26 4.736 3.326 -6.897 1.00 0.00 H new ATOM 0 HA ARG A 26 7.580 3.592 -6.991 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.859 1.674 -5.367 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.506 2.153 -5.010 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.763 4.457 -4.579 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.117 4.018 -4.988 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.203 3.905 -2.636 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.265 2.237 -3.170 1.00 0.00 H new ATOM 0 HE ARG A 26 7.934 3.213 -2.929 1.00 0.00 H new ATOM 0 HH11 ARG A 26 5.197 2.056 -1.041 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.177 1.751 0.398 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.149 2.932 -1.090 1.00 0.00 H new ATOM 0 HH22 ARG A 26 8.419 2.249 0.366 1.00 0.00 H new ATOM 425 N GLY A 27 6.133 0.793 -7.830 1.00 0.00 N ATOM 426 CA GLY A 27 6.255 -0.497 -8.422 1.00 0.00 C ATOM 427 C GLY A 27 6.202 -1.532 -7.350 1.00 0.00 C ATOM 428 O GLY A 27 6.286 -2.738 -7.614 1.00 0.00 O ATOM 0 H GLY A 27 5.175 1.033 -7.573 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.452 -0.658 -9.141 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.194 -0.572 -8.971 1.00 0.00 H new ATOM 432 N VAL A 28 5.992 -1.064 -6.127 1.00 0.00 N ATOM 433 CA VAL A 28 6.066 -1.901 -4.981 1.00 0.00 C ATOM 434 C VAL A 28 5.348 -1.267 -3.794 1.00 0.00 C ATOM 435 O VAL A 28 5.125 -0.049 -3.768 1.00 0.00 O ATOM 436 CB VAL A 28 7.549 -2.129 -4.634 1.00 0.00 C ATOM 437 CG1 VAL A 28 8.222 -0.897 -4.053 1.00 0.00 C ATOM 438 CG2 VAL A 28 7.751 -3.338 -3.800 1.00 0.00 C ATOM 0 H VAL A 28 5.767 -0.090 -5.922 1.00 0.00 H new ATOM 0 HA VAL A 28 5.578 -2.851 -5.200 1.00 0.00 H new ATOM 0 HB VAL A 28 8.054 -2.318 -5.581 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.265 -1.123 -3.830 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.174 -0.082 -4.775 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.711 -0.601 -3.137 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.812 -3.456 -3.582 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.198 -3.233 -2.867 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.391 -4.215 -4.338 1.00 0.00 H new ATOM 448 N LEU A 29 4.955 -2.109 -2.872 1.00 0.00 N ATOM 449 CA LEU A 29 4.351 -1.729 -1.619 1.00 0.00 C ATOM 450 C LEU A 29 4.663 -2.800 -0.591 1.00 0.00 C ATOM 451 O LEU A 29 4.542 -3.969 -0.895 1.00 0.00 O ATOM 452 CB LEU A 29 2.830 -1.654 -1.748 1.00 0.00 C ATOM 453 CG LEU A 29 2.209 -0.488 -2.499 1.00 0.00 C ATOM 454 CD1 LEU A 29 0.721 -0.716 -2.619 1.00 0.00 C ATOM 455 CD2 LEU A 29 2.456 0.816 -1.768 1.00 0.00 C ATOM 0 H LEU A 29 5.051 -3.119 -2.978 1.00 0.00 H new ATOM 0 HA LEU A 29 4.743 -0.755 -1.327 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.496 -2.572 -2.232 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.414 -1.655 -0.740 1.00 0.00 H new ATOM 0 HG LEU A 29 2.665 -0.424 -3.487 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.268 0.117 -3.157 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.538 -1.642 -3.163 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.282 -0.787 -1.624 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.002 1.636 -2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.015 0.764 -0.773 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.529 0.986 -1.681 1.00 0.00 H new ATOM 467 N THR A 30 5.110 -2.429 0.575 1.00 0.00 N ATOM 468 CA THR A 30 5.290 -3.402 1.646 1.00 0.00 C ATOM 469 C THR A 30 3.934 -3.859 2.198 1.00 0.00 C ATOM 470 O THR A 30 3.009 -3.052 2.322 1.00 0.00 O ATOM 471 CB THR A 30 6.151 -2.855 2.817 1.00 0.00 C ATOM 472 OG1 THR A 30 5.701 -1.568 3.257 1.00 0.00 O ATOM 473 CG2 THR A 30 7.616 -2.811 2.469 1.00 0.00 C ATOM 0 H THR A 30 5.358 -1.470 0.820 1.00 0.00 H new ATOM 0 HA THR A 30 5.820 -4.245 1.203 1.00 0.00 H new ATOM 0 HB THR A 30 6.024 -3.556 3.642 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.817 -0.916 2.534 1.00 0.00 H new ATOM 0 HG21 THR A 30 8.180 -2.422 3.317 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.964 -3.816 2.232 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.766 -2.163 1.606 1.00 0.00 H new ATOM 481 N TYR A 31 3.824 -5.144 2.529 1.00 0.00 N ATOM 482 CA TYR A 31 2.608 -5.710 3.124 1.00 0.00 C ATOM 483 C TYR A 31 2.169 -4.923 4.367 1.00 0.00 C ATOM 484 O TYR A 31 0.968 -4.770 4.632 1.00 0.00 O ATOM 485 CB TYR A 31 2.810 -7.195 3.508 1.00 0.00 C ATOM 486 CG TYR A 31 2.854 -8.186 2.352 1.00 0.00 C ATOM 487 CD1 TYR A 31 4.035 -8.806 1.957 1.00 0.00 C ATOM 488 CD2 TYR A 31 1.696 -8.522 1.679 1.00 0.00 C ATOM 489 CE1 TYR A 31 4.046 -9.729 0.927 1.00 0.00 C ATOM 490 CE2 TYR A 31 1.700 -9.436 0.648 1.00 0.00 C ATOM 491 CZ TYR A 31 2.872 -10.037 0.276 1.00 0.00 C ATOM 492 OH TYR A 31 2.869 -10.964 -0.749 1.00 0.00 O ATOM 0 H TYR A 31 4.572 -5.824 2.394 1.00 0.00 H new ATOM 0 HA TYR A 31 1.827 -5.639 2.367 1.00 0.00 H new ATOM 0 HB2 TYR A 31 3.741 -7.281 4.069 1.00 0.00 H new ATOM 0 HB3 TYR A 31 2.004 -7.488 4.181 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.958 -8.563 2.463 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.765 -8.057 1.968 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.970 -10.206 0.635 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.781 -9.678 0.135 1.00 0.00 H new ATOM 0 HH TYR A 31 1.959 -11.063 -1.098 1.00 0.00 H new ATOM 502 N GLU A 32 3.138 -4.405 5.094 1.00 0.00 N ATOM 503 CA GLU A 32 2.887 -3.678 6.316 1.00 0.00 C ATOM 504 C GLU A 32 2.227 -2.316 6.060 1.00 0.00 C ATOM 505 O GLU A 32 1.278 -1.957 6.741 1.00 0.00 O ATOM 506 CB GLU A 32 4.178 -3.513 7.107 1.00 0.00 C ATOM 507 CG GLU A 32 3.993 -2.895 8.474 1.00 0.00 C ATOM 508 CD GLU A 32 5.276 -2.811 9.240 1.00 0.00 C ATOM 509 OE1 GLU A 32 5.822 -3.870 9.620 1.00 0.00 O ATOM 510 OE2 GLU A 32 5.755 -1.691 9.501 1.00 0.00 O ATOM 0 H GLU A 32 4.126 -4.478 4.850 1.00 0.00 H new ATOM 0 HA GLU A 32 2.182 -4.265 6.905 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.647 -4.490 7.223 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.867 -2.895 6.531 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.572 -1.895 8.364 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.272 -3.484 9.041 1.00 0.00 H new ATOM 517 N GLU A 33 2.666 -1.593 5.032 1.00 0.00 N ATOM 518 CA GLU A 33 2.136 -0.246 4.803 1.00 0.00 C ATOM 519 C GLU A 33 0.740 -0.343 4.225 1.00 0.00 C ATOM 520 O GLU A 33 -0.098 0.550 4.393 1.00 0.00 O ATOM 521 CB GLU A 33 3.056 0.581 3.902 1.00 0.00 C ATOM 522 CG GLU A 33 3.133 0.101 2.469 1.00 0.00 C ATOM 523 CD GLU A 33 4.140 0.858 1.675 1.00 0.00 C ATOM 524 OE1 GLU A 33 5.210 0.279 1.350 1.00 0.00 O ATOM 525 OE2 GLU A 33 3.897 2.051 1.370 1.00 0.00 O ATOM 0 H GLU A 33 3.368 -1.903 4.360 1.00 0.00 H new ATOM 0 HA GLU A 33 2.088 0.274 5.760 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.713 1.616 3.907 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.060 0.576 4.327 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.385 -0.959 2.456 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.154 0.201 2.001 1.00 0.00 H new ATOM 532 N ILE A 34 0.491 -1.457 3.571 1.00 0.00 N ATOM 533 CA ILE A 34 -0.798 -1.747 3.031 1.00 0.00 C ATOM 534 C ILE A 34 -1.767 -2.013 4.171 1.00 0.00 C ATOM 535 O ILE A 34 -2.896 -1.519 4.171 1.00 0.00 O ATOM 536 CB ILE A 34 -0.749 -2.950 2.073 1.00 0.00 C ATOM 537 CG1 ILE A 34 0.245 -2.674 0.953 1.00 0.00 C ATOM 538 CG2 ILE A 34 -2.126 -3.210 1.497 1.00 0.00 C ATOM 539 CD1 ILE A 34 0.471 -3.844 0.037 1.00 0.00 C ATOM 0 H ILE A 34 1.187 -2.183 3.404 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.137 -0.887 2.454 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.427 -3.834 2.624 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.111 -1.828 0.365 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.198 -2.379 1.391 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.082 -4.063 0.820 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.824 -3.424 2.306 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.464 -2.330 0.950 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.191 -3.569 -0.734 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.858 -4.686 0.611 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.472 -4.127 -0.431 1.00 0.00 H new ATOM 551 N ALA A 35 -1.292 -2.740 5.192 1.00 0.00 N ATOM 552 CA ALA A 35 -2.067 -3.081 6.363 1.00 0.00 C ATOM 553 C ALA A 35 -2.344 -1.843 7.188 1.00 0.00 C ATOM 554 O ALA A 35 -3.428 -1.688 7.765 1.00 0.00 O ATOM 555 CB ALA A 35 -1.356 -4.140 7.188 1.00 0.00 C ATOM 0 H ALA A 35 -0.341 -3.107 5.215 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.022 -3.496 6.040 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.957 -4.382 8.065 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.216 -5.037 6.585 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.385 -3.762 7.507 1.00 0.00 H new ATOM 561 N GLU A 36 -1.357 -0.951 7.193 1.00 0.00 N ATOM 562 CA GLU A 36 -1.348 0.272 7.974 1.00 0.00 C ATOM 563 C GLU A 36 -2.540 1.139 7.678 1.00 0.00 C ATOM 564 O GLU A 36 -3.244 1.583 8.579 1.00 0.00 O ATOM 565 CB GLU A 36 -0.088 1.068 7.648 1.00 0.00 C ATOM 566 CG GLU A 36 -0.069 2.461 8.244 1.00 0.00 C ATOM 567 CD GLU A 36 1.034 3.304 7.701 1.00 0.00 C ATOM 568 OE1 GLU A 36 0.882 3.878 6.601 1.00 0.00 O ATOM 569 OE2 GLU A 36 2.064 3.441 8.369 1.00 0.00 O ATOM 0 H GLU A 36 -0.514 -1.069 6.632 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.378 -0.011 9.026 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.781 0.518 8.009 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.011 1.146 6.565 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.024 2.949 8.048 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.035 2.387 9.327 1.00 0.00 H new ATOM 576 N ARG A 37 -2.765 1.399 6.419 1.00 0.00 N ATOM 577 CA ARG A 37 -3.847 2.244 6.023 1.00 0.00 C ATOM 578 C ARG A 37 -5.188 1.550 6.255 1.00 0.00 C ATOM 579 O ARG A 37 -6.179 2.194 6.593 1.00 0.00 O ATOM 580 CB ARG A 37 -3.695 2.608 4.554 1.00 0.00 C ATOM 581 CG ARG A 37 -2.373 3.265 4.176 1.00 0.00 C ATOM 582 CD ARG A 37 -2.171 4.599 4.869 1.00 0.00 C ATOM 583 NE ARG A 37 -0.944 5.252 4.410 1.00 0.00 N ATOM 584 CZ ARG A 37 -0.735 6.572 4.378 1.00 0.00 C ATOM 585 NH1 ARG A 37 -1.628 7.410 4.902 1.00 0.00 N ATOM 586 NH2 ARG A 37 0.379 7.055 3.855 1.00 0.00 N ATOM 0 H ARG A 37 -2.206 1.033 5.648 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.824 3.151 6.627 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.814 1.703 3.959 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -4.507 3.280 4.278 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.551 2.597 4.434 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.338 3.411 3.096 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.026 5.247 4.674 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.125 4.448 5.948 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.186 4.650 4.088 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.478 7.046 5.332 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.461 8.416 4.874 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.081 6.420 3.475 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.536 8.063 3.832 1.00 0.00 H new ATOM 600 N MET A 38 -5.188 0.233 6.173 1.00 0.00 N ATOM 601 CA MET A 38 -6.423 -0.527 6.267 1.00 0.00 C ATOM 602 C MET A 38 -6.867 -0.771 7.694 1.00 0.00 C ATOM 603 O MET A 38 -7.955 -1.287 7.910 1.00 0.00 O ATOM 604 CB MET A 38 -6.335 -1.856 5.532 1.00 0.00 C ATOM 605 CG MET A 38 -6.049 -1.730 4.064 1.00 0.00 C ATOM 606 SD MET A 38 -7.281 -0.758 3.201 1.00 0.00 S ATOM 607 CE MET A 38 -6.707 -0.950 1.525 1.00 0.00 C ATOM 0 H MET A 38 -4.350 -0.333 6.042 1.00 0.00 H new ATOM 0 HA MET A 38 -7.174 0.099 5.785 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.554 -2.462 5.992 1.00 0.00 H new ATOM 0 HB3 MET A 38 -7.274 -2.394 5.663 1.00 0.00 H new ATOM 0 HG2 MET A 38 -5.069 -1.272 3.927 1.00 0.00 H new ATOM 0 HG3 MET A 38 -6.001 -2.725 3.621 1.00 0.00 H new ATOM 0 HE1 MET A 38 -6.873 -0.023 0.975 1.00 0.00 H new ATOM 0 HE2 MET A 38 -5.642 -1.184 1.530 1.00 0.00 H new ATOM 0 HE3 MET A 38 -7.254 -1.760 1.043 1.00 0.00 H new ATOM 617 N SER A 39 -6.066 -0.376 8.672 1.00 0.00 N ATOM 618 CA SER A 39 -6.463 -0.566 10.056 1.00 0.00 C ATOM 619 C SER A 39 -7.468 0.497 10.504 1.00 0.00 C ATOM 620 O SER A 39 -7.969 0.470 11.621 1.00 0.00 O ATOM 621 CB SER A 39 -5.257 -0.683 10.989 1.00 0.00 C ATOM 622 OG SER A 39 -4.328 0.357 10.779 1.00 0.00 O ATOM 0 H SER A 39 -5.158 0.068 8.537 1.00 0.00 H new ATOM 0 HA SER A 39 -6.981 -1.523 10.120 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.596 -0.664 12.025 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.768 -1.644 10.832 1.00 0.00 H new ATOM 0 HG SER A 39 -4.097 0.402 9.828 1.00 0.00 H new ATOM 628 N SER A 40 -7.775 1.421 9.601 1.00 0.00 N ATOM 629 CA SER A 40 -8.829 2.381 9.820 1.00 0.00 C ATOM 630 C SER A 40 -10.160 1.625 9.710 1.00 0.00 C ATOM 631 O SER A 40 -11.176 1.996 10.306 1.00 0.00 O ATOM 632 CB SER A 40 -8.742 3.484 8.752 1.00 0.00 C ATOM 633 OG SER A 40 -9.685 4.526 8.969 1.00 0.00 O ATOM 0 H SER A 40 -7.299 1.519 8.704 1.00 0.00 H new ATOM 0 HA SER A 40 -8.744 2.851 10.800 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.736 3.903 8.748 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.909 3.046 7.768 1.00 0.00 H new ATOM 0 HG SER A 40 -9.591 5.204 8.267 1.00 0.00 H new ATOM 639 N PHE A 41 -10.111 0.548 8.958 1.00 0.00 N ATOM 640 CA PHE A 41 -11.234 -0.308 8.712 1.00 0.00 C ATOM 641 C PHE A 41 -10.937 -1.638 9.393 1.00 0.00 C ATOM 642 O PHE A 41 -9.967 -1.754 10.157 1.00 0.00 O ATOM 643 CB PHE A 41 -11.339 -0.535 7.199 1.00 0.00 C ATOM 644 CG PHE A 41 -11.097 0.703 6.412 1.00 0.00 C ATOM 645 CD1 PHE A 41 -12.019 1.725 6.384 1.00 0.00 C ATOM 646 CD2 PHE A 41 -9.906 0.856 5.734 1.00 0.00 C ATOM 647 CE1 PHE A 41 -11.750 2.883 5.697 1.00 0.00 C ATOM 648 CE2 PHE A 41 -9.636 1.997 5.043 1.00 0.00 C ATOM 649 CZ PHE A 41 -10.554 3.016 5.026 1.00 0.00 C ATOM 0 H PHE A 41 -9.259 0.240 8.489 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.162 0.124 9.087 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -10.619 -1.297 6.900 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -12.330 -0.923 6.962 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -12.959 1.615 6.905 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -9.177 0.059 5.752 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -12.472 3.686 5.683 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -8.702 2.100 4.510 1.00 0.00 H new ATOM 0 HZ PHE A 41 -10.339 3.926 4.485 1.00 0.00 H new ATOM 659 N GLU A 42 -11.736 -2.623 9.137 1.00 0.00 N ATOM 660 CA GLU A 42 -11.483 -3.936 9.652 1.00 0.00 C ATOM 661 C GLU A 42 -11.198 -4.857 8.498 1.00 0.00 C ATOM 662 O GLU A 42 -12.065 -5.591 8.034 1.00 0.00 O ATOM 663 CB GLU A 42 -12.641 -4.442 10.500 1.00 0.00 C ATOM 664 CG GLU A 42 -12.947 -3.555 11.687 1.00 0.00 C ATOM 665 CD GLU A 42 -14.091 -4.063 12.496 1.00 0.00 C ATOM 666 OE1 GLU A 42 -13.867 -4.785 13.473 1.00 0.00 O ATOM 667 OE2 GLU A 42 -15.245 -3.744 12.172 1.00 0.00 O ATOM 0 H GLU A 42 -12.579 -2.544 8.568 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.616 -3.903 10.312 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.531 -4.522 9.876 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.410 -5.446 10.856 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.062 -3.481 12.320 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -13.173 -2.548 11.336 1.00 0.00 H new ATOM 674 N ILE A 43 -10.012 -4.736 7.966 1.00 0.00 N ATOM 675 CA ILE A 43 -9.625 -5.511 6.832 1.00 0.00 C ATOM 676 C ILE A 43 -8.682 -6.581 7.268 1.00 0.00 C ATOM 677 O ILE A 43 -7.568 -6.318 7.727 1.00 0.00 O ATOM 678 CB ILE A 43 -8.941 -4.657 5.757 1.00 0.00 C ATOM 679 CG1 ILE A 43 -9.761 -3.417 5.458 1.00 0.00 C ATOM 680 CG2 ILE A 43 -8.707 -5.460 4.485 1.00 0.00 C ATOM 681 CD1 ILE A 43 -11.138 -3.706 4.911 1.00 0.00 C ATOM 0 H ILE A 43 -9.293 -4.098 8.309 1.00 0.00 H new ATOM 0 HA ILE A 43 -10.529 -5.939 6.399 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.970 -4.346 6.144 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.860 -2.831 6.372 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -9.219 -2.800 4.741 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.221 -4.829 3.741 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.070 -6.316 4.707 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.663 -5.811 4.095 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -11.659 -2.767 4.724 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -11.049 -4.264 3.979 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -11.701 -4.295 5.635 1.00 0.00 H new ATOM 693 N GLU A 44 -9.140 -7.755 7.153 1.00 0.00 N ATOM 694 CA GLU A 44 -8.394 -8.916 7.488 1.00 0.00 C ATOM 695 C GLU A 44 -7.432 -9.271 6.390 1.00 0.00 C ATOM 696 O GLU A 44 -7.567 -8.795 5.248 1.00 0.00 O ATOM 697 CB GLU A 44 -9.360 -10.037 7.737 1.00 0.00 C ATOM 698 CG GLU A 44 -10.228 -9.784 8.937 1.00 0.00 C ATOM 699 CD GLU A 44 -9.429 -9.818 10.209 1.00 0.00 C ATOM 700 OE1 GLU A 44 -8.994 -8.745 10.698 1.00 0.00 O ATOM 701 OE2 GLU A 44 -9.183 -10.933 10.737 1.00 0.00 O ATOM 0 H GLU A 44 -10.080 -7.956 6.811 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.802 -8.730 8.384 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.990 -10.173 6.858 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.807 -10.965 7.880 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.715 -8.814 8.837 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.018 -10.534 8.981 1.00 0.00 H new ATOM 708 N SER A 45 -6.491 -10.125 6.720 1.00 0.00 N ATOM 709 CA SER A 45 -5.478 -10.601 5.811 1.00 0.00 C ATOM 710 C SER A 45 -6.131 -11.287 4.616 1.00 0.00 C ATOM 711 O SER A 45 -5.650 -11.205 3.496 1.00 0.00 O ATOM 712 CB SER A 45 -4.597 -11.558 6.584 1.00 0.00 C ATOM 713 OG SER A 45 -5.410 -12.488 7.300 1.00 0.00 O ATOM 0 H SER A 45 -6.408 -10.519 7.657 1.00 0.00 H new ATOM 0 HA SER A 45 -4.878 -9.779 5.420 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.934 -12.090 5.901 1.00 0.00 H new ATOM 0 HB3 SER A 45 -3.963 -11.005 7.277 1.00 0.00 H new ATOM 0 HG SER A 45 -4.837 -13.108 7.798 1.00 0.00 H new ATOM 719 N ASP A 46 -7.271 -11.899 4.893 1.00 0.00 N ATOM 720 CA ASP A 46 -8.121 -12.574 3.921 1.00 0.00 C ATOM 721 C ASP A 46 -8.488 -11.613 2.800 1.00 0.00 C ATOM 722 O ASP A 46 -8.317 -11.908 1.617 1.00 0.00 O ATOM 723 CB ASP A 46 -9.425 -12.991 4.607 1.00 0.00 C ATOM 724 CG ASP A 46 -9.224 -13.741 5.899 1.00 0.00 C ATOM 725 OD1 ASP A 46 -9.231 -14.977 5.894 1.00 0.00 O ATOM 726 OD2 ASP A 46 -9.065 -13.092 6.960 1.00 0.00 O ATOM 0 H ASP A 46 -7.646 -11.942 5.840 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.587 -13.437 3.524 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.021 -12.100 4.805 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.001 -13.614 3.923 1.00 0.00 H new ATOM 731 N GLN A 47 -8.950 -10.437 3.202 1.00 0.00 N ATOM 732 CA GLN A 47 -9.407 -9.414 2.272 1.00 0.00 C ATOM 733 C GLN A 47 -8.206 -8.729 1.663 1.00 0.00 C ATOM 734 O GLN A 47 -8.203 -8.367 0.493 1.00 0.00 O ATOM 735 CB GLN A 47 -10.211 -8.357 2.992 1.00 0.00 C ATOM 736 CG GLN A 47 -11.216 -8.872 3.992 1.00 0.00 C ATOM 737 CD GLN A 47 -12.001 -7.745 4.617 1.00 0.00 C ATOM 738 OE1 GLN A 47 -12.304 -6.731 3.844 1.00 0.00 O flip ATOM 739 NE2 GLN A 47 -12.364 -7.805 5.777 1.00 0.00 N flip ATOM 0 H GLN A 47 -9.018 -10.165 4.183 1.00 0.00 H new ATOM 0 HA GLN A 47 -10.022 -9.895 1.512 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.521 -7.690 3.508 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -10.738 -7.758 2.249 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -11.900 -9.564 3.499 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -10.701 -9.434 4.771 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -12.110 -8.610 6.350 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -12.923 -7.051 6.176 1.00 0.00 H new ATOM 748 N MET A 48 -7.180 -8.534 2.489 1.00 0.00 N ATOM 749 CA MET A 48 -5.932 -7.939 2.037 1.00 0.00 C ATOM 750 C MET A 48 -5.361 -8.729 0.881 1.00 0.00 C ATOM 751 O MET A 48 -4.892 -8.162 -0.078 1.00 0.00 O ATOM 752 CB MET A 48 -4.894 -7.864 3.164 1.00 0.00 C ATOM 753 CG MET A 48 -5.094 -6.766 4.206 1.00 0.00 C ATOM 754 SD MET A 48 -4.453 -5.129 3.712 1.00 0.00 S ATOM 755 CE MET A 48 -5.414 -4.724 2.253 1.00 0.00 C ATOM 0 H MET A 48 -7.193 -8.782 3.478 1.00 0.00 H new ATOM 0 HA MET A 48 -6.158 -6.923 1.714 1.00 0.00 H new ATOM 0 HB2 MET A 48 -4.881 -8.824 3.679 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.911 -7.731 2.713 1.00 0.00 H new ATOM 0 HG2 MET A 48 -6.159 -6.676 4.421 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.607 -7.069 5.133 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.277 -3.671 2.008 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.081 -5.338 1.416 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.469 -4.917 2.447 1.00 0.00 H new ATOM 765 N ASP A 49 -5.440 -10.042 0.995 1.00 0.00 N ATOM 766 CA ASP A 49 -4.969 -10.994 -0.020 1.00 0.00 C ATOM 767 C ASP A 49 -5.669 -10.764 -1.345 1.00 0.00 C ATOM 768 O ASP A 49 -5.045 -10.824 -2.421 1.00 0.00 O ATOM 769 CB ASP A 49 -5.246 -12.407 0.470 1.00 0.00 C ATOM 770 CG ASP A 49 -4.721 -13.487 -0.436 1.00 0.00 C ATOM 771 OD1 ASP A 49 -5.466 -13.942 -1.330 1.00 0.00 O ATOM 772 OD2 ASP A 49 -3.567 -13.926 -0.241 1.00 0.00 O ATOM 0 H ASP A 49 -5.843 -10.498 1.814 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.900 -10.851 -0.174 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.803 -12.530 1.458 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.322 -12.536 0.585 1.00 0.00 H new ATOM 777 N GLU A 50 -6.952 -10.450 -1.262 1.00 0.00 N ATOM 778 CA GLU A 50 -7.757 -10.180 -2.434 1.00 0.00 C ATOM 779 C GLU A 50 -7.250 -8.897 -3.099 1.00 0.00 C ATOM 780 O GLU A 50 -7.161 -8.792 -4.322 1.00 0.00 O ATOM 781 CB GLU A 50 -9.228 -10.010 -2.053 1.00 0.00 C ATOM 782 CG GLU A 50 -9.815 -11.149 -1.233 1.00 0.00 C ATOM 783 CD GLU A 50 -11.266 -10.909 -0.877 1.00 0.00 C ATOM 784 OE1 GLU A 50 -11.579 -9.887 -0.233 1.00 0.00 O ATOM 785 OE2 GLU A 50 -12.128 -11.744 -1.229 1.00 0.00 O ATOM 0 H GLU A 50 -7.460 -10.376 -0.381 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.675 -11.021 -3.123 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.337 -9.083 -1.490 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.814 -9.900 -2.966 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.730 -12.080 -1.794 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.234 -11.273 -0.319 1.00 0.00 H new ATOM 792 N TYR A 51 -6.894 -7.931 -2.262 1.00 0.00 N ATOM 793 CA TYR A 51 -6.344 -6.671 -2.724 1.00 0.00 C ATOM 794 C TYR A 51 -4.933 -6.895 -3.283 1.00 0.00 C ATOM 795 O TYR A 51 -4.527 -6.221 -4.231 1.00 0.00 O ATOM 796 CB TYR A 51 -6.368 -5.636 -1.604 1.00 0.00 C ATOM 797 CG TYR A 51 -5.860 -4.266 -1.997 1.00 0.00 C ATOM 798 CD1 TYR A 51 -6.323 -3.612 -3.145 1.00 0.00 C ATOM 799 CD2 TYR A 51 -4.920 -3.618 -1.214 1.00 0.00 C ATOM 800 CE1 TYR A 51 -5.847 -2.370 -3.480 1.00 0.00 C ATOM 801 CE2 TYR A 51 -4.450 -2.374 -1.551 1.00 0.00 C ATOM 802 CZ TYR A 51 -4.915 -1.762 -2.683 1.00 0.00 C ATOM 803 OH TYR A 51 -4.431 -0.548 -3.031 1.00 0.00 O ATOM 0 H TYR A 51 -6.979 -8.002 -1.248 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.960 -6.276 -3.532 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -7.391 -5.538 -1.240 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.768 -6.006 -0.773 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -7.061 -4.089 -3.772 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.550 -4.101 -0.322 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.206 -1.874 -4.369 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.719 -1.881 -0.928 1.00 0.00 H new ATOM 0 HH TYR A 51 -5.168 0.097 -3.078 1.00 0.00 H new ATOM 813 N TYR A 52 -4.180 -7.826 -2.701 1.00 0.00 N ATOM 814 CA TYR A 52 -2.815 -8.118 -3.147 1.00 0.00 C ATOM 815 C TYR A 52 -2.808 -8.620 -4.576 1.00 0.00 C ATOM 816 O TYR A 52 -1.943 -8.251 -5.381 1.00 0.00 O ATOM 817 CB TYR A 52 -2.073 -9.094 -2.206 1.00 0.00 C ATOM 818 CG TYR A 52 -1.880 -8.577 -0.786 1.00 0.00 C ATOM 819 CD1 TYR A 52 -1.909 -9.440 0.305 1.00 0.00 C ATOM 820 CD2 TYR A 52 -1.703 -7.224 -0.533 1.00 0.00 C ATOM 821 CE1 TYR A 52 -1.768 -8.964 1.596 1.00 0.00 C ATOM 822 CE2 TYR A 52 -1.557 -6.753 0.746 1.00 0.00 C ATOM 823 CZ TYR A 52 -1.591 -7.617 1.806 1.00 0.00 C ATOM 824 OH TYR A 52 -1.458 -7.125 3.091 1.00 0.00 O ATOM 0 H TYR A 52 -4.493 -8.395 -1.915 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.265 -7.178 -3.110 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.627 -10.032 -2.166 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.096 -9.319 -2.633 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.044 -10.499 0.141 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.680 -6.529 -1.359 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.797 -9.646 2.433 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.415 -5.696 0.917 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.207 -6.526 3.291 1.00 0.00 H new ATOM 834 N GLU A 53 -3.805 -9.437 -4.895 1.00 0.00 N ATOM 835 CA GLU A 53 -4.001 -9.940 -6.238 1.00 0.00 C ATOM 836 C GLU A 53 -4.285 -8.777 -7.177 1.00 0.00 C ATOM 837 O GLU A 53 -3.655 -8.652 -8.224 1.00 0.00 O ATOM 838 CB GLU A 53 -5.179 -10.909 -6.243 1.00 0.00 C ATOM 839 CG GLU A 53 -5.503 -11.496 -7.598 1.00 0.00 C ATOM 840 CD GLU A 53 -6.675 -12.425 -7.541 1.00 0.00 C ATOM 841 OE1 GLU A 53 -7.834 -11.956 -7.652 1.00 0.00 O ATOM 842 OE2 GLU A 53 -6.473 -13.639 -7.387 1.00 0.00 O ATOM 0 H GLU A 53 -4.499 -9.767 -4.224 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.103 -10.460 -6.573 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.966 -11.723 -5.550 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.061 -10.391 -5.865 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.713 -10.690 -8.301 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.633 -12.032 -7.978 1.00 0.00 H new ATOM 849 N PHE A 54 -5.201 -7.910 -6.754 1.00 0.00 N ATOM 850 CA PHE A 54 -5.579 -6.737 -7.501 1.00 0.00 C ATOM 851 C PHE A 54 -4.350 -5.886 -7.845 1.00 0.00 C ATOM 852 O PHE A 54 -4.125 -5.536 -9.007 1.00 0.00 O ATOM 853 CB PHE A 54 -6.605 -5.933 -6.686 1.00 0.00 C ATOM 854 CG PHE A 54 -6.855 -4.559 -7.208 1.00 0.00 C ATOM 855 CD1 PHE A 54 -6.173 -3.494 -6.667 1.00 0.00 C ATOM 856 CD2 PHE A 54 -7.742 -4.332 -8.236 1.00 0.00 C ATOM 857 CE1 PHE A 54 -6.356 -2.230 -7.129 1.00 0.00 C ATOM 858 CE2 PHE A 54 -7.938 -3.053 -8.709 1.00 0.00 C ATOM 859 CZ PHE A 54 -7.235 -2.002 -8.146 1.00 0.00 C ATOM 0 H PHE A 54 -5.701 -8.013 -5.871 1.00 0.00 H new ATOM 0 HA PHE A 54 -6.033 -7.039 -8.445 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -7.548 -6.480 -6.668 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -6.258 -5.861 -5.655 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -5.478 -3.666 -5.859 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -8.285 -5.157 -8.672 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -5.807 -1.409 -6.692 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -8.635 -2.872 -9.514 1.00 0.00 H new ATOM 0 HZ PHE A 54 -7.383 -0.997 -8.514 1.00 0.00 H new ATOM 869 N LEU A 55 -3.573 -5.560 -6.827 1.00 0.00 N ATOM 870 CA LEU A 55 -2.362 -4.765 -6.985 1.00 0.00 C ATOM 871 C LEU A 55 -1.367 -5.407 -7.949 1.00 0.00 C ATOM 872 O LEU A 55 -0.778 -4.731 -8.819 1.00 0.00 O ATOM 873 CB LEU A 55 -1.709 -4.509 -5.637 1.00 0.00 C ATOM 874 CG LEU A 55 -2.459 -3.570 -4.708 1.00 0.00 C ATOM 875 CD1 LEU A 55 -1.760 -3.495 -3.370 1.00 0.00 C ATOM 876 CD2 LEU A 55 -2.557 -2.182 -5.327 1.00 0.00 C ATOM 0 H LEU A 55 -3.762 -5.838 -5.864 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.661 -3.812 -7.420 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.579 -5.465 -5.130 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.713 -4.101 -5.808 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.467 -3.957 -4.558 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.306 -2.819 -2.712 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.724 -4.488 -2.922 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.745 -3.124 -3.510 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.097 -1.519 -4.651 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.555 -1.788 -5.498 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.089 -2.244 -6.276 1.00 0.00 H new ATOM 888 N GLY A 56 -1.218 -6.716 -7.782 1.00 0.00 N ATOM 889 CA GLY A 56 -0.319 -7.492 -8.621 1.00 0.00 C ATOM 890 C GLY A 56 -0.725 -7.417 -10.073 1.00 0.00 C ATOM 891 O GLY A 56 0.130 -7.307 -10.958 1.00 0.00 O ATOM 0 H GLY A 56 -1.709 -7.260 -7.073 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.700 -7.122 -8.506 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.319 -8.532 -8.294 1.00 0.00 H new ATOM 895 N GLU A 57 -2.022 -7.457 -10.310 1.00 0.00 N ATOM 896 CA GLU A 57 -2.577 -7.367 -11.629 1.00 0.00 C ATOM 897 C GLU A 57 -2.355 -5.999 -12.276 1.00 0.00 C ATOM 898 O GLU A 57 -2.178 -5.896 -13.490 1.00 0.00 O ATOM 899 CB GLU A 57 -4.051 -7.718 -11.582 1.00 0.00 C ATOM 900 CG GLU A 57 -4.325 -9.184 -11.275 1.00 0.00 C ATOM 901 CD GLU A 57 -3.800 -10.100 -12.349 1.00 0.00 C ATOM 902 OE1 GLU A 57 -4.541 -10.349 -13.328 1.00 0.00 O ATOM 903 OE2 GLU A 57 -2.637 -10.576 -12.252 1.00 0.00 O ATOM 0 H GLU A 57 -2.722 -7.555 -9.575 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.051 -8.084 -12.260 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.538 -7.101 -10.826 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.505 -7.466 -12.540 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.866 -9.445 -10.321 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.399 -9.335 -11.164 1.00 0.00 H new ATOM 910 N GLN A 58 -2.362 -4.938 -11.455 1.00 0.00 N ATOM 911 CA GLN A 58 -2.204 -3.576 -11.954 1.00 0.00 C ATOM 912 C GLN A 58 -0.734 -3.254 -12.210 1.00 0.00 C ATOM 913 O GLN A 58 -0.392 -2.658 -13.236 1.00 0.00 O ATOM 914 CB GLN A 58 -2.807 -2.567 -10.975 1.00 0.00 C ATOM 915 CG GLN A 58 -4.280 -2.809 -10.656 1.00 0.00 C ATOM 916 CD GLN A 58 -5.176 -2.818 -11.886 1.00 0.00 C ATOM 917 OE1 GLN A 58 -4.907 -2.151 -12.885 1.00 0.00 O ATOM 918 NE2 GLN A 58 -6.221 -3.592 -11.834 1.00 0.00 N ATOM 0 H GLN A 58 -2.476 -5.004 -10.443 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.739 -3.503 -12.901 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.237 -2.593 -10.047 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.696 -1.565 -11.389 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.379 -3.763 -10.138 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.626 -2.036 -9.970 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -6.415 -4.131 -10.990 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.846 -3.659 -12.637 1.00 0.00 H new ATOM 927 N GLY A 59 0.121 -3.575 -11.274 1.00 0.00 N ATOM 928 CA GLY A 59 1.541 -3.361 -11.485 1.00 0.00 C ATOM 929 C GLY A 59 2.261 -2.962 -10.230 1.00 0.00 C ATOM 930 O GLY A 59 3.036 -1.995 -10.224 1.00 0.00 O ATOM 0 H GLY A 59 -0.128 -3.979 -10.371 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.987 -4.274 -11.880 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.679 -2.587 -12.240 1.00 0.00 H new ATOM 934 N VAL A 60 1.999 -3.678 -9.166 1.00 0.00 N ATOM 935 CA VAL A 60 2.606 -3.410 -7.885 1.00 0.00 C ATOM 936 C VAL A 60 3.016 -4.722 -7.272 1.00 0.00 C ATOM 937 O VAL A 60 2.194 -5.624 -7.141 1.00 0.00 O ATOM 938 CB VAL A 60 1.601 -2.756 -6.899 1.00 0.00 C ATOM 939 CG1 VAL A 60 2.303 -2.337 -5.623 1.00 0.00 C ATOM 940 CG2 VAL A 60 0.842 -1.591 -7.529 1.00 0.00 C ATOM 0 H VAL A 60 1.355 -4.469 -9.163 1.00 0.00 H new ATOM 0 HA VAL A 60 3.448 -2.737 -8.048 1.00 0.00 H new ATOM 0 HB VAL A 60 0.854 -3.509 -6.648 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.582 -1.881 -4.944 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.746 -3.212 -5.147 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.086 -1.617 -5.858 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.152 -1.169 -6.798 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.549 -0.825 -7.846 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.282 -1.947 -8.394 1.00 0.00 H new ATOM 950 N GLU A 61 4.264 -4.846 -6.937 1.00 0.00 N ATOM 951 CA GLU A 61 4.732 -6.008 -6.232 1.00 0.00 C ATOM 952 C GLU A 61 4.649 -5.738 -4.747 1.00 0.00 C ATOM 953 O GLU A 61 5.032 -4.663 -4.285 1.00 0.00 O ATOM 954 CB GLU A 61 6.150 -6.371 -6.664 1.00 0.00 C ATOM 955 CG GLU A 61 6.209 -6.884 -8.091 1.00 0.00 C ATOM 956 CD GLU A 61 7.572 -7.394 -8.497 1.00 0.00 C ATOM 957 OE1 GLU A 61 7.919 -8.562 -8.161 1.00 0.00 O ATOM 958 OE2 GLU A 61 8.309 -6.665 -9.195 1.00 0.00 O ATOM 0 H GLU A 61 4.984 -4.153 -7.141 1.00 0.00 H new ATOM 0 HA GLU A 61 4.104 -6.866 -6.471 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.791 -5.494 -6.570 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.548 -7.131 -5.991 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.481 -7.686 -8.210 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.914 -6.083 -8.768 1.00 0.00 H new ATOM 965 N LEU A 62 4.082 -6.643 -4.002 1.00 0.00 N ATOM 966 CA LEU A 62 3.959 -6.421 -2.591 1.00 0.00 C ATOM 967 C LEU A 62 5.122 -7.048 -1.861 1.00 0.00 C ATOM 968 O LEU A 62 5.223 -8.269 -1.785 1.00 0.00 O ATOM 969 CB LEU A 62 2.630 -6.959 -2.036 1.00 0.00 C ATOM 970 CG LEU A 62 1.336 -6.525 -2.752 1.00 0.00 C ATOM 971 CD1 LEU A 62 1.378 -5.087 -3.212 1.00 0.00 C ATOM 972 CD2 LEU A 62 0.950 -7.465 -3.869 1.00 0.00 C ATOM 0 H LEU A 62 3.703 -7.527 -4.341 1.00 0.00 H new ATOM 0 HA LEU A 62 3.969 -5.343 -2.427 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.675 -8.048 -2.051 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.554 -6.658 -0.991 1.00 0.00 H new ATOM 0 HG LEU A 62 0.546 -6.587 -2.003 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.441 -4.837 -3.709 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.518 -4.433 -2.351 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.206 -4.952 -3.908 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.032 -7.113 -4.340 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.749 -7.497 -4.610 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.790 -8.465 -3.465 1.00 0.00 H new ATOM 984 N ILE A 63 6.004 -6.231 -1.340 1.00 0.00 N ATOM 985 CA ILE A 63 7.132 -6.756 -0.631 1.00 0.00 C ATOM 986 C ILE A 63 6.894 -6.968 0.793 1.00 0.00 C ATOM 987 O ILE A 63 6.011 -6.392 1.412 1.00 0.00 O ATOM 988 CB ILE A 63 8.432 -5.987 -0.762 1.00 0.00 C ATOM 989 CG1 ILE A 63 8.293 -4.508 -0.441 1.00 0.00 C ATOM 990 CG2 ILE A 63 9.006 -6.208 -2.089 1.00 0.00 C ATOM 991 CD1 ILE A 63 9.608 -3.743 -0.497 1.00 0.00 C ATOM 0 H ILE A 63 5.960 -5.213 -1.395 1.00 0.00 H new ATOM 0 HA ILE A 63 7.254 -7.709 -1.147 1.00 0.00 H new ATOM 0 HB ILE A 63 9.119 -6.375 -0.010 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.591 -4.058 -1.142 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.862 -4.400 0.555 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.940 -5.653 -2.178 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.201 -7.271 -2.229 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.306 -5.864 -2.850 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.430 -2.695 -0.257 1.00 0.00 H new ATOM 0 HD12 ILE A 63 10.307 -4.167 0.224 1.00 0.00 H new ATOM 0 HD13 ILE A 63 10.031 -3.819 -1.499 1.00 0.00 H new