USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 763 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 75 THR OG1 : rot -67:sc= 1.15 USER MOD Set 1.2: A 94 TYR OH : rot 180:sc= 0.971 USER MOD Set 2.1: A 51 CYS SG : rot 180:sc= -0.993 USER MOD Set 2.2: A 60 THR OG1 : rot -73:sc= 0.311 USER MOD Single : A 12 SER OG : rot -28:sc= 0.0581 USER MOD Single : A 14 TYR OH : rot 130:sc= 0.338 USER MOD Single : A 15 HIS : no HD1:sc= -0.0404 X(o=-0.04,f=-0.037) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -130:sc=-2.1e-05 USER MOD Single : A 41 SER OG : rot 71:sc= 0.302 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.0251 X(o=-0.025,f=-0.23) USER MOD Single : A 56 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00398) USER MOD Single : A 57 HIS : no HD1:sc= -0.0735 X(o=-0.074,f=0) USER MOD Single : A 59 HIS : no HE2:sc= -0.597 K(o=-0.6,f=-1.2) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.225 X(o=-0.22,f=-0.1) USER MOD Single : A 76 SER OG : rot 11:sc= 0.831 USER MOD Single : A 77 GLN : amide:sc= -0.134 X(o=-0.13,f=-0.13) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=0.59) USER MOD Single : A 98 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 99 GLN : amide:sc= 0.052 K(o=0.052,f=-6.3!) USER MOD Single : A 103 CYS SG : rot 144:sc= 0.0275 USER MOD ----------------------------------------------------------------- ATOM 181 N SER A 12 -0.100 -5.744 -12.758 1.00 0.00 N ATOM 182 CA SER A 12 0.623 -5.729 -11.476 1.00 0.00 C ATOM 183 C SER A 12 0.099 -4.625 -10.541 1.00 0.00 C ATOM 184 O SER A 12 -0.597 -3.695 -10.970 1.00 0.00 O ATOM 185 CB SER A 12 2.125 -5.532 -11.737 1.00 0.00 C ATOM 186 OG SER A 12 2.374 -4.316 -12.409 1.00 0.00 O ATOM 0 HA SER A 12 0.457 -6.685 -10.980 1.00 0.00 H new ATOM 0 HB2 SER A 12 2.665 -5.544 -10.790 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.505 -6.363 -12.331 1.00 0.00 H new ATOM 0 HG SER A 12 1.595 -4.078 -12.954 1.00 0.00 H new ATOM 192 N TRP A 13 0.490 -4.714 -9.264 1.00 0.00 N ATOM 193 CA TRP A 13 0.029 -3.802 -8.195 1.00 0.00 C ATOM 194 C TRP A 13 0.881 -2.517 -8.097 1.00 0.00 C ATOM 195 O TRP A 13 0.698 -1.760 -7.165 1.00 0.00 O ATOM 196 CB TRP A 13 0.011 -4.561 -6.820 1.00 0.00 C ATOM 197 CG TRP A 13 1.100 -5.609 -6.650 1.00 0.00 C ATOM 198 CD1 TRP A 13 0.922 -6.966 -6.609 1.00 0.00 C ATOM 199 CD2 TRP A 13 2.519 -5.399 -6.546 1.00 0.00 C ATOM 200 NE1 TRP A 13 2.126 -7.600 -6.474 1.00 0.00 N ATOM 201 CE2 TRP A 13 3.119 -6.665 -6.439 1.00 0.00 C ATOM 202 CE3 TRP A 13 3.342 -4.267 -6.532 1.00 0.00 C ATOM 203 CZ2 TRP A 13 4.491 -6.829 -6.319 1.00 0.00 C ATOM 204 CZ3 TRP A 13 4.702 -4.432 -6.420 1.00 0.00 C ATOM 205 CH2 TRP A 13 5.268 -5.702 -6.318 1.00 0.00 C ATOM 0 H TRP A 13 1.142 -5.426 -8.934 1.00 0.00 H new ATOM 0 HA TRP A 13 -0.982 -3.484 -8.451 1.00 0.00 H new ATOM 0 HB2 TRP A 13 0.103 -3.830 -6.017 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -0.959 -5.044 -6.701 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -0.034 -7.465 -6.674 1.00 0.00 H new ATOM 0 HE1 TRP A 13 2.260 -8.609 -6.410 1.00 0.00 H new ATOM 0 HE3 TRP A 13 2.915 -3.278 -6.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 4.931 -7.811 -6.229 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 5.343 -3.563 -6.411 1.00 0.00 H new ATOM 0 HH2 TRP A 13 6.341 -5.799 -6.237 1.00 0.00 H new ATOM 216 N TYR A 14 1.763 -2.259 -9.071 1.00 0.00 N ATOM 217 CA TYR A 14 2.710 -1.119 -9.032 1.00 0.00 C ATOM 218 C TYR A 14 2.404 -0.193 -10.216 1.00 0.00 C ATOM 219 O TYR A 14 2.175 -0.675 -11.329 1.00 0.00 O ATOM 220 CB TYR A 14 4.183 -1.617 -9.076 1.00 0.00 C ATOM 221 CG TYR A 14 5.221 -0.526 -9.450 1.00 0.00 C ATOM 222 CD1 TYR A 14 5.409 0.610 -8.649 1.00 0.00 C ATOM 223 CD2 TYR A 14 5.964 -0.615 -10.634 1.00 0.00 C ATOM 224 CE1 TYR A 14 6.307 1.598 -9.017 1.00 0.00 C ATOM 225 CE2 TYR A 14 6.855 0.373 -10.996 1.00 0.00 C ATOM 226 CZ TYR A 14 7.022 1.474 -10.192 1.00 0.00 C ATOM 227 OH TYR A 14 7.911 2.459 -10.569 1.00 0.00 O ATOM 0 H TYR A 14 1.846 -2.830 -9.912 1.00 0.00 H new ATOM 0 HA TYR A 14 2.587 -0.570 -8.098 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.443 -2.029 -8.101 1.00 0.00 H new ATOM 0 HB3 TYR A 14 4.256 -2.432 -9.796 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.846 0.716 -7.733 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.837 -1.474 -11.276 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.448 2.463 -8.387 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.421 0.281 -11.911 1.00 0.00 H new ATOM 0 HH TYR A 14 8.773 2.052 -10.798 1.00 0.00 H new ATOM 237 N HIS A 15 2.360 1.132 -9.967 1.00 0.00 N ATOM 238 CA HIS A 15 2.118 2.153 -11.004 1.00 0.00 C ATOM 239 C HIS A 15 3.071 3.347 -10.810 1.00 0.00 C ATOM 240 O HIS A 15 3.830 3.418 -9.846 1.00 0.00 O ATOM 241 CB HIS A 15 0.635 2.643 -10.923 1.00 0.00 C ATOM 242 CG HIS A 15 -0.375 1.525 -10.907 1.00 0.00 C ATOM 243 ND1 HIS A 15 -0.520 0.640 -11.949 1.00 0.00 N ATOM 244 CD2 HIS A 15 -1.203 1.089 -9.927 1.00 0.00 C ATOM 245 CE1 HIS A 15 -1.394 -0.282 -11.618 1.00 0.00 C ATOM 246 NE2 HIS A 15 -1.822 -0.038 -10.397 1.00 0.00 N ATOM 0 H HIS A 15 2.492 1.525 -9.035 1.00 0.00 H new ATOM 0 HA HIS A 15 2.302 1.712 -11.984 1.00 0.00 H new ATOM 0 HB2 HIS A 15 0.510 3.246 -10.024 1.00 0.00 H new ATOM 0 HB3 HIS A 15 0.430 3.293 -11.774 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -1.347 1.544 -8.958 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -1.710 -1.104 -12.243 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -2.504 -0.598 -9.885 1.00 0.00 H new ATOM 255 N ARG A 16 3.046 4.237 -11.789 1.00 0.00 N ATOM 256 CA ARG A 16 3.590 5.604 -11.704 1.00 0.00 C ATOM 257 C ARG A 16 2.771 6.478 -12.667 1.00 0.00 C ATOM 258 O ARG A 16 1.910 5.943 -13.389 1.00 0.00 O ATOM 259 CB ARG A 16 5.116 5.682 -12.001 1.00 0.00 C ATOM 260 CG ARG A 16 5.597 5.079 -13.341 1.00 0.00 C ATOM 261 CD ARG A 16 5.745 3.548 -13.296 1.00 0.00 C ATOM 262 NE ARG A 16 6.321 3.013 -14.541 1.00 0.00 N ATOM 263 CZ ARG A 16 7.413 2.241 -14.622 1.00 0.00 C ATOM 264 NH1 ARG A 16 8.096 1.901 -13.535 1.00 0.00 N ATOM 265 NH2 ARG A 16 7.826 1.815 -15.799 1.00 0.00 N ATOM 0 H ARG A 16 2.635 4.031 -12.700 1.00 0.00 H new ATOM 0 HA ARG A 16 3.498 5.965 -10.680 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.414 6.730 -11.974 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.646 5.179 -11.192 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.891 5.347 -14.127 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.556 5.523 -13.609 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.379 3.270 -12.454 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.769 3.094 -13.124 1.00 0.00 H new ATOM 0 HE ARG A 16 5.850 3.250 -15.414 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.792 2.228 -12.618 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.925 1.312 -13.617 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.315 2.073 -16.643 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.657 1.227 -15.866 1.00 0.00 H new ATOM 279 N ASP A 17 2.985 7.814 -12.634 1.00 0.00 N ATOM 280 CA ASP A 17 2.177 8.823 -13.383 1.00 0.00 C ATOM 281 C ASP A 17 0.798 9.013 -12.706 1.00 0.00 C ATOM 282 O ASP A 17 -0.057 9.775 -13.183 1.00 0.00 O ATOM 283 CB ASP A 17 2.023 8.506 -14.902 1.00 0.00 C ATOM 284 CG ASP A 17 3.372 8.321 -15.617 1.00 0.00 C ATOM 285 OD1 ASP A 17 3.980 9.325 -16.048 1.00 0.00 O ATOM 286 OD2 ASP A 17 3.842 7.164 -15.739 1.00 0.00 O ATOM 0 H ASP A 17 3.732 8.234 -12.081 1.00 0.00 H new ATOM 0 HA ASP A 17 2.733 9.760 -13.339 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.428 7.600 -15.020 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.471 9.314 -15.382 1.00 0.00 H new ATOM 291 N LEU A 18 0.622 8.324 -11.562 1.00 0.00 N ATOM 292 CA LEU A 18 -0.594 8.299 -10.755 1.00 0.00 C ATOM 293 C LEU A 18 -0.345 9.147 -9.492 1.00 0.00 C ATOM 294 O LEU A 18 0.592 8.863 -8.725 1.00 0.00 O ATOM 295 CB LEU A 18 -0.893 6.816 -10.371 1.00 0.00 C ATOM 296 CG LEU A 18 -2.260 6.524 -9.671 1.00 0.00 C ATOM 297 CD1 LEU A 18 -3.448 6.801 -10.622 1.00 0.00 C ATOM 298 CD2 LEU A 18 -2.302 5.073 -9.131 1.00 0.00 C ATOM 0 H LEU A 18 1.363 7.746 -11.165 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.447 8.706 -11.299 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.842 6.215 -11.279 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.095 6.469 -9.714 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.354 7.202 -8.823 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.384 6.589 -10.106 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.432 7.847 -10.929 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.366 6.163 -11.502 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.262 4.892 -8.648 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.174 4.373 -9.957 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.499 4.931 -8.407 1.00 0.00 H new ATOM 310 N SER A 19 -1.159 10.195 -9.304 1.00 0.00 N ATOM 311 CA SER A 19 -1.063 11.107 -8.141 1.00 0.00 C ATOM 312 C SER A 19 -1.790 10.502 -6.921 1.00 0.00 C ATOM 313 O SER A 19 -2.451 9.474 -7.059 1.00 0.00 O ATOM 314 CB SER A 19 -1.652 12.483 -8.516 1.00 0.00 C ATOM 315 OG SER A 19 -0.996 13.010 -9.664 1.00 0.00 O ATOM 0 H SER A 19 -1.907 10.440 -9.953 1.00 0.00 H new ATOM 0 HA SER A 19 -0.016 11.239 -7.869 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.720 12.387 -8.712 1.00 0.00 H new ATOM 0 HB3 SER A 19 -1.543 13.172 -7.679 1.00 0.00 H new ATOM 0 HG SER A 19 -1.382 13.882 -9.890 1.00 0.00 H new ATOM 321 N ARG A 20 -1.625 11.110 -5.723 1.00 0.00 N ATOM 322 CA ARG A 20 -2.290 10.651 -4.472 1.00 0.00 C ATOM 323 C ARG A 20 -3.821 10.668 -4.630 1.00 0.00 C ATOM 324 O ARG A 20 -4.486 9.647 -4.402 1.00 0.00 O ATOM 325 CB ARG A 20 -1.819 11.549 -3.278 1.00 0.00 C ATOM 326 CG ARG A 20 -2.115 11.029 -1.833 1.00 0.00 C ATOM 327 CD ARG A 20 -3.601 11.121 -1.403 1.00 0.00 C ATOM 328 NE ARG A 20 -4.147 12.488 -1.564 1.00 0.00 N ATOM 329 CZ ARG A 20 -5.462 12.812 -1.568 1.00 0.00 C ATOM 330 NH1 ARG A 20 -6.386 11.891 -1.426 1.00 0.00 N ATOM 331 NH2 ARG A 20 -5.838 14.059 -1.706 1.00 0.00 N ATOM 0 H ARG A 20 -1.031 11.929 -5.592 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.004 9.620 -4.264 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.743 11.697 -3.370 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.286 12.528 -3.387 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.794 9.990 -1.763 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.511 11.597 -1.126 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.193 10.423 -1.996 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.696 10.814 -0.361 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.477 13.248 -1.682 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.118 10.914 -1.310 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.372 12.153 -1.431 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.139 14.794 -1.811 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.830 14.295 -1.708 1.00 0.00 H new ATOM 345 N ALA A 21 -4.351 11.846 -4.992 1.00 0.00 N ATOM 346 CA ALA A 21 -5.787 12.049 -5.248 1.00 0.00 C ATOM 347 C ALA A 21 -6.308 11.054 -6.302 1.00 0.00 C ATOM 348 O ALA A 21 -7.350 10.435 -6.117 1.00 0.00 O ATOM 349 CB ALA A 21 -6.040 13.505 -5.674 1.00 0.00 C ATOM 0 H ALA A 21 -3.793 12.691 -5.116 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.339 11.859 -4.328 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.104 13.649 -5.862 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.717 14.178 -4.879 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.478 13.721 -6.583 1.00 0.00 H new ATOM 355 N ALA A 22 -5.527 10.879 -7.376 1.00 0.00 N ATOM 356 CA ALA A 22 -5.831 9.923 -8.457 1.00 0.00 C ATOM 357 C ALA A 22 -5.821 8.458 -7.961 1.00 0.00 C ATOM 358 O ALA A 22 -6.630 7.649 -8.408 1.00 0.00 O ATOM 359 CB ALA A 22 -4.832 10.107 -9.603 1.00 0.00 C ATOM 0 H ALA A 22 -4.661 11.398 -7.523 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.840 10.132 -8.813 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.059 9.399 -10.400 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.904 11.124 -9.989 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.821 9.929 -9.237 1.00 0.00 H new ATOM 365 N ALA A 23 -4.913 8.146 -7.028 1.00 0.00 N ATOM 366 CA ALA A 23 -4.710 6.780 -6.502 1.00 0.00 C ATOM 367 C ALA A 23 -5.946 6.280 -5.729 1.00 0.00 C ATOM 368 O ALA A 23 -6.522 5.225 -6.054 1.00 0.00 O ATOM 369 CB ALA A 23 -3.465 6.749 -5.600 1.00 0.00 C ATOM 0 H ALA A 23 -4.290 8.837 -6.610 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.560 6.110 -7.348 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.320 5.740 -5.215 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.590 7.046 -6.178 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.602 7.439 -4.767 1.00 0.00 H new ATOM 375 N GLU A 24 -6.344 7.055 -4.708 1.00 0.00 N ATOM 376 CA GLU A 24 -7.493 6.728 -3.847 1.00 0.00 C ATOM 377 C GLU A 24 -8.833 6.846 -4.606 1.00 0.00 C ATOM 378 O GLU A 24 -9.814 6.190 -4.228 1.00 0.00 O ATOM 379 CB GLU A 24 -7.449 7.598 -2.556 1.00 0.00 C ATOM 380 CG GLU A 24 -7.405 9.135 -2.765 1.00 0.00 C ATOM 381 CD GLU A 24 -8.788 9.806 -2.815 1.00 0.00 C ATOM 382 OE1 GLU A 24 -9.406 9.978 -1.746 1.00 0.00 O ATOM 383 OE2 GLU A 24 -9.258 10.166 -3.900 1.00 0.00 O ATOM 0 H GLU A 24 -5.878 7.927 -4.455 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.421 5.683 -3.546 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.325 7.360 -1.953 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.573 7.306 -1.976 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.825 9.583 -1.958 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.876 9.349 -3.694 1.00 0.00 H new ATOM 390 N GLU A 25 -8.862 7.671 -5.678 1.00 0.00 N ATOM 391 CA GLU A 25 -10.001 7.699 -6.617 1.00 0.00 C ATOM 392 C GLU A 25 -10.114 6.356 -7.347 1.00 0.00 C ATOM 393 O GLU A 25 -11.147 5.723 -7.278 1.00 0.00 O ATOM 394 CB GLU A 25 -9.907 8.871 -7.642 1.00 0.00 C ATOM 395 CG GLU A 25 -10.358 10.232 -7.084 1.00 0.00 C ATOM 396 CD GLU A 25 -10.340 11.358 -8.127 1.00 0.00 C ATOM 397 OE1 GLU A 25 -11.215 11.353 -9.018 1.00 0.00 O ATOM 398 OE2 GLU A 25 -9.473 12.259 -8.056 1.00 0.00 O ATOM 0 H GLU A 25 -8.112 8.322 -5.911 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.901 7.870 -6.026 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.877 8.956 -7.987 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.516 8.628 -8.513 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.367 10.135 -6.683 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.710 10.508 -6.252 1.00 0.00 H new ATOM 405 N LEU A 26 -9.028 5.924 -8.013 1.00 0.00 N ATOM 406 CA LEU A 26 -8.985 4.644 -8.772 1.00 0.00 C ATOM 407 C LEU A 26 -9.327 3.412 -7.894 1.00 0.00 C ATOM 408 O LEU A 26 -9.766 2.381 -8.421 1.00 0.00 O ATOM 409 CB LEU A 26 -7.607 4.470 -9.509 1.00 0.00 C ATOM 410 CG LEU A 26 -7.528 4.989 -10.986 1.00 0.00 C ATOM 411 CD1 LEU A 26 -8.503 4.216 -11.893 1.00 0.00 C ATOM 412 CD2 LEU A 26 -7.769 6.512 -11.081 1.00 0.00 C ATOM 0 H LEU A 26 -8.152 6.446 -8.045 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.767 4.700 -9.529 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.842 4.984 -8.926 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.351 3.410 -9.507 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.513 4.804 -11.339 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.429 4.595 -12.912 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.249 3.156 -11.880 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.522 4.349 -11.529 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.705 6.826 -12.123 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.759 6.749 -10.691 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.014 7.037 -10.496 1.00 0.00 H new ATOM 424 N LEU A 27 -9.137 3.531 -6.565 1.00 0.00 N ATOM 425 CA LEU A 27 -9.650 2.532 -5.608 1.00 0.00 C ATOM 426 C LEU A 27 -11.185 2.643 -5.503 1.00 0.00 C ATOM 427 O LEU A 27 -11.894 1.666 -5.713 1.00 0.00 O ATOM 428 CB LEU A 27 -9.015 2.707 -4.193 1.00 0.00 C ATOM 429 CG LEU A 27 -7.502 2.351 -4.055 1.00 0.00 C ATOM 430 CD1 LEU A 27 -6.986 2.637 -2.626 1.00 0.00 C ATOM 431 CD2 LEU A 27 -7.232 0.883 -4.460 1.00 0.00 C ATOM 0 H LEU A 27 -8.634 4.306 -6.132 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.374 1.546 -5.981 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.150 3.744 -3.885 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.575 2.090 -3.490 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.950 2.992 -4.742 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.929 2.379 -2.562 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.115 3.695 -2.397 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.549 2.039 -1.909 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.169 0.666 -4.353 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.805 0.216 -3.816 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.531 0.731 -5.497 1.00 0.00 H new ATOM 443 N ALA A 28 -11.675 3.869 -5.233 1.00 0.00 N ATOM 444 CA ALA A 28 -13.081 4.127 -4.850 1.00 0.00 C ATOM 445 C ALA A 28 -14.070 4.109 -6.039 1.00 0.00 C ATOM 446 O ALA A 28 -15.278 3.968 -5.826 1.00 0.00 O ATOM 447 CB ALA A 28 -13.168 5.466 -4.098 1.00 0.00 C ATOM 0 H ALA A 28 -11.105 4.714 -5.274 1.00 0.00 H new ATOM 0 HA ALA A 28 -13.386 3.305 -4.203 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -14.203 5.658 -3.815 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.549 5.421 -3.202 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.813 6.270 -4.744 1.00 0.00 H new ATOM 453 N ARG A 29 -13.582 4.311 -7.276 1.00 0.00 N ATOM 454 CA ARG A 29 -14.421 4.237 -8.491 1.00 0.00 C ATOM 455 C ARG A 29 -14.759 2.771 -8.831 1.00 0.00 C ATOM 456 O ARG A 29 -15.897 2.457 -9.188 1.00 0.00 O ATOM 457 CB ARG A 29 -13.712 4.892 -9.717 1.00 0.00 C ATOM 458 CG ARG A 29 -13.256 6.359 -9.538 1.00 0.00 C ATOM 459 CD ARG A 29 -14.387 7.307 -9.118 1.00 0.00 C ATOM 460 NE ARG A 29 -13.920 8.710 -9.001 1.00 0.00 N ATOM 461 CZ ARG A 29 -14.705 9.778 -8.809 1.00 0.00 C ATOM 462 NH1 ARG A 29 -16.025 9.659 -8.721 1.00 0.00 N ATOM 463 NH2 ARG A 29 -14.158 10.979 -8.710 1.00 0.00 N ATOM 0 H ARG A 29 -12.603 4.529 -7.464 1.00 0.00 H new ATOM 0 HA ARG A 29 -15.339 4.786 -8.280 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -12.839 4.290 -9.970 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -14.389 4.845 -10.570 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -12.465 6.396 -8.789 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -12.825 6.714 -10.474 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -15.195 7.253 -9.848 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -14.798 6.981 -8.163 1.00 0.00 H new ATOM 0 HE ARG A 29 -12.916 8.875 -9.073 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -16.461 8.740 -8.800 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -16.603 10.487 -8.575 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -13.146 11.086 -8.780 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -14.748 11.798 -8.564 1.00 0.00 H new ATOM 477 N ALA A 30 -13.746 1.891 -8.707 1.00 0.00 N ATOM 478 CA ALA A 30 -13.855 0.478 -9.111 1.00 0.00 C ATOM 479 C ALA A 30 -14.408 -0.399 -7.983 1.00 0.00 C ATOM 480 O ALA A 30 -15.413 -1.104 -8.155 1.00 0.00 O ATOM 481 CB ALA A 30 -12.475 -0.042 -9.541 1.00 0.00 C ATOM 0 H ALA A 30 -12.833 2.140 -8.325 1.00 0.00 H new ATOM 0 HA ALA A 30 -14.554 0.423 -9.946 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -12.557 -1.087 -9.840 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -12.110 0.548 -10.382 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -11.778 0.044 -8.707 1.00 0.00 H new ATOM 487 N GLY A 31 -13.763 -0.314 -6.814 1.00 0.00 N ATOM 488 CA GLY A 31 -13.921 -1.305 -5.767 1.00 0.00 C ATOM 489 C GLY A 31 -13.809 -0.718 -4.376 1.00 0.00 C ATOM 490 O GLY A 31 -13.944 0.497 -4.194 1.00 0.00 O ATOM 0 H GLY A 31 -13.122 0.443 -6.577 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -14.892 -1.788 -5.875 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -13.164 -2.080 -5.890 1.00 0.00 H new ATOM 494 N ARG A 32 -13.520 -1.600 -3.410 1.00 0.00 N ATOM 495 CA ARG A 32 -13.550 -1.290 -1.959 1.00 0.00 C ATOM 496 C ARG A 32 -13.275 -2.557 -1.132 1.00 0.00 C ATOM 497 O ARG A 32 -13.710 -3.645 -1.519 1.00 0.00 O ATOM 498 CB ARG A 32 -14.924 -0.676 -1.518 1.00 0.00 C ATOM 499 CG ARG A 32 -16.142 -1.615 -1.690 1.00 0.00 C ATOM 500 CD ARG A 32 -17.488 -0.924 -1.399 1.00 0.00 C ATOM 501 NE ARG A 32 -17.767 0.160 -2.360 1.00 0.00 N ATOM 502 CZ ARG A 32 -18.973 0.646 -2.678 1.00 0.00 C ATOM 503 NH1 ARG A 32 -20.078 0.129 -2.156 1.00 0.00 N ATOM 504 NH2 ARG A 32 -19.073 1.645 -3.543 1.00 0.00 N ATOM 0 H ARG A 32 -13.254 -2.565 -3.609 1.00 0.00 H new ATOM 0 HA ARG A 32 -12.770 -0.551 -1.776 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -14.855 -0.383 -0.471 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -15.100 0.233 -2.093 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -16.153 -2.002 -2.709 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -16.029 -2.471 -1.025 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -18.291 -1.660 -1.439 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -17.477 -0.519 -0.387 1.00 0.00 H new ATOM 0 HE ARG A 32 -16.963 0.580 -2.827 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -20.016 -0.651 -1.502 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -20.989 0.512 -2.409 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -18.233 2.041 -3.964 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -19.990 2.018 -3.788 1.00 0.00 H new ATOM 518 N ASP A 33 -12.465 -2.411 -0.053 1.00 0.00 N ATOM 519 CA ASP A 33 -12.398 -3.347 1.103 1.00 0.00 C ATOM 520 C ASP A 33 -11.227 -4.323 0.896 1.00 0.00 C ATOM 521 O ASP A 33 -11.377 -5.387 0.277 1.00 0.00 O ATOM 522 CB ASP A 33 -13.724 -4.099 1.433 1.00 0.00 C ATOM 523 CG ASP A 33 -14.940 -3.197 1.739 1.00 0.00 C ATOM 524 OD1 ASP A 33 -14.757 -2.033 2.147 1.00 0.00 O ATOM 525 OD2 ASP A 33 -16.091 -3.672 1.570 1.00 0.00 O ATOM 0 H ASP A 33 -11.825 -1.622 0.042 1.00 0.00 H new ATOM 0 HA ASP A 33 -12.229 -2.731 1.986 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -13.975 -4.744 0.591 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.550 -4.748 2.291 1.00 0.00 H new ATOM 530 N GLY A 34 -10.043 -3.885 1.366 1.00 0.00 N ATOM 531 CA GLY A 34 -8.784 -4.596 1.151 1.00 0.00 C ATOM 532 C GLY A 34 -8.200 -4.304 -0.225 1.00 0.00 C ATOM 533 O GLY A 34 -7.317 -5.032 -0.704 1.00 0.00 O ATOM 0 H GLY A 34 -9.941 -3.026 1.906 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.067 -4.307 1.919 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.949 -5.668 1.256 1.00 0.00 H new ATOM 537 N SER A 35 -8.701 -3.224 -0.854 1.00 0.00 N ATOM 538 CA SER A 35 -8.283 -2.804 -2.188 1.00 0.00 C ATOM 539 C SER A 35 -6.998 -1.997 -2.067 1.00 0.00 C ATOM 540 O SER A 35 -6.977 -1.004 -1.349 1.00 0.00 O ATOM 541 CB SER A 35 -9.383 -1.935 -2.829 1.00 0.00 C ATOM 542 OG SER A 35 -10.648 -2.570 -2.751 1.00 0.00 O ATOM 0 H SER A 35 -9.412 -2.620 -0.441 1.00 0.00 H new ATOM 0 HA SER A 35 -8.114 -3.679 -2.815 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.426 -0.969 -2.326 1.00 0.00 H new ATOM 0 HB3 SER A 35 -9.135 -1.740 -3.872 1.00 0.00 H new ATOM 0 HG SER A 35 -11.072 -2.564 -3.635 1.00 0.00 H new ATOM 548 N PHE A 36 -5.933 -2.406 -2.753 1.00 0.00 N ATOM 549 CA PHE A 36 -4.660 -1.678 -2.702 1.00 0.00 C ATOM 550 C PHE A 36 -4.099 -1.440 -4.103 1.00 0.00 C ATOM 551 O PHE A 36 -4.479 -2.109 -5.072 1.00 0.00 O ATOM 552 CB PHE A 36 -3.627 -2.422 -1.814 1.00 0.00 C ATOM 553 CG PHE A 36 -3.102 -3.739 -2.389 1.00 0.00 C ATOM 554 CD1 PHE A 36 -3.856 -4.909 -2.312 1.00 0.00 C ATOM 555 CD2 PHE A 36 -1.854 -3.807 -3.005 1.00 0.00 C ATOM 556 CE1 PHE A 36 -3.372 -6.097 -2.831 1.00 0.00 C ATOM 557 CE2 PHE A 36 -1.378 -4.993 -3.521 1.00 0.00 C ATOM 558 CZ PHE A 36 -2.136 -6.138 -3.433 1.00 0.00 C ATOM 0 H PHE A 36 -5.922 -3.234 -3.349 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.856 -0.705 -2.251 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.780 -1.759 -1.636 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.083 -2.624 -0.845 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.828 -4.888 -1.842 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.249 -2.915 -3.079 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.967 -6.996 -2.763 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.408 -5.024 -3.995 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.761 -7.067 -3.836 1.00 0.00 H new ATOM 568 N LEU A 37 -3.221 -0.450 -4.176 1.00 0.00 N ATOM 569 CA LEU A 37 -2.331 -0.226 -5.308 1.00 0.00 C ATOM 570 C LEU A 37 -1.057 0.445 -4.788 1.00 0.00 C ATOM 571 O LEU A 37 -1.045 1.026 -3.700 1.00 0.00 O ATOM 572 CB LEU A 37 -3.042 0.591 -6.446 1.00 0.00 C ATOM 573 CG LEU A 37 -3.760 1.940 -6.060 1.00 0.00 C ATOM 574 CD1 LEU A 37 -2.768 3.087 -5.773 1.00 0.00 C ATOM 575 CD2 LEU A 37 -4.779 2.363 -7.150 1.00 0.00 C ATOM 0 H LEU A 37 -3.104 0.237 -3.431 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.058 -1.175 -5.770 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.296 0.817 -7.208 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.784 -0.060 -6.909 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.298 1.745 -5.132 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.321 3.990 -5.513 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.119 2.807 -4.943 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.163 3.275 -6.660 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.259 3.297 -6.857 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.260 2.504 -8.098 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.535 1.586 -7.262 1.00 0.00 H new ATOM 587 N VAL A 38 0.005 0.352 -5.571 1.00 0.00 N ATOM 588 CA VAL A 38 1.289 1.003 -5.299 1.00 0.00 C ATOM 589 C VAL A 38 1.526 2.000 -6.435 1.00 0.00 C ATOM 590 O VAL A 38 1.046 1.795 -7.558 1.00 0.00 O ATOM 591 CB VAL A 38 2.483 -0.027 -5.207 1.00 0.00 C ATOM 592 CG1 VAL A 38 3.823 0.664 -4.839 1.00 0.00 C ATOM 593 CG2 VAL A 38 2.151 -1.159 -4.206 1.00 0.00 C ATOM 0 H VAL A 38 0.005 -0.190 -6.435 1.00 0.00 H new ATOM 0 HA VAL A 38 1.251 1.499 -4.329 1.00 0.00 H new ATOM 0 HB VAL A 38 2.611 -0.465 -6.197 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.615 -0.083 -4.787 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.071 1.404 -5.599 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.725 1.157 -3.872 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.986 -1.858 -4.157 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.977 -0.732 -3.218 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.256 -1.686 -4.536 1.00 0.00 H new ATOM 603 N ARG A 39 2.238 3.075 -6.142 1.00 0.00 N ATOM 604 CA ARG A 39 2.544 4.115 -7.113 1.00 0.00 C ATOM 605 C ARG A 39 3.924 4.695 -6.806 1.00 0.00 C ATOM 606 O ARG A 39 4.600 4.257 -5.871 1.00 0.00 O ATOM 607 CB ARG A 39 1.459 5.226 -7.075 1.00 0.00 C ATOM 608 CG ARG A 39 1.424 6.032 -5.756 1.00 0.00 C ATOM 609 CD ARG A 39 0.454 7.221 -5.798 1.00 0.00 C ATOM 610 NE ARG A 39 0.671 8.133 -4.652 1.00 0.00 N ATOM 611 CZ ARG A 39 1.097 9.405 -4.752 1.00 0.00 C ATOM 612 NH1 ARG A 39 1.378 9.946 -5.937 1.00 0.00 N ATOM 613 NH2 ARG A 39 1.237 10.139 -3.665 1.00 0.00 N ATOM 0 H ARG A 39 2.624 3.253 -5.215 1.00 0.00 H new ATOM 0 HA ARG A 39 2.550 3.688 -8.116 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.630 5.913 -7.903 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.482 4.770 -7.235 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.139 5.368 -4.940 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.427 6.397 -5.535 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.586 7.768 -6.731 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.573 6.856 -5.786 1.00 0.00 H new ATOM 0 HE ARG A 39 0.484 7.770 -3.717 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.271 9.394 -6.788 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.700 10.912 -5.993 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.022 9.742 -2.750 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.560 11.104 -3.739 1.00 0.00 H new ATOM 627 N ASP A 40 4.325 5.667 -7.619 1.00 0.00 N ATOM 628 CA ASP A 40 5.480 6.522 -7.340 1.00 0.00 C ATOM 629 C ASP A 40 5.014 7.627 -6.371 1.00 0.00 C ATOM 630 O ASP A 40 3.995 8.285 -6.633 1.00 0.00 O ATOM 631 CB ASP A 40 6.020 7.123 -8.663 1.00 0.00 C ATOM 632 CG ASP A 40 7.225 8.065 -8.474 1.00 0.00 C ATOM 633 OD1 ASP A 40 8.368 7.570 -8.361 1.00 0.00 O ATOM 634 OD2 ASP A 40 7.041 9.305 -8.458 1.00 0.00 O ATOM 0 H ASP A 40 3.856 5.887 -8.497 1.00 0.00 H new ATOM 0 HA ASP A 40 6.292 5.954 -6.886 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.308 6.310 -9.329 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.217 7.670 -9.157 1.00 0.00 H new ATOM 639 N SER A 41 5.714 7.788 -5.233 1.00 0.00 N ATOM 640 CA SER A 41 5.388 8.829 -4.233 1.00 0.00 C ATOM 641 C SER A 41 5.792 10.221 -4.746 1.00 0.00 C ATOM 642 O SER A 41 6.568 10.344 -5.693 1.00 0.00 O ATOM 643 CB SER A 41 6.067 8.533 -2.876 1.00 0.00 C ATOM 644 OG SER A 41 7.474 8.559 -2.975 1.00 0.00 O ATOM 0 H SER A 41 6.514 7.208 -4.980 1.00 0.00 H new ATOM 0 HA SER A 41 4.309 8.817 -4.079 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.741 9.267 -2.139 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.746 7.556 -2.515 1.00 0.00 H new ATOM 0 HG SER A 41 7.776 9.483 -3.102 1.00 0.00 H new ATOM 650 N GLU A 42 5.254 11.261 -4.106 1.00 0.00 N ATOM 651 CA GLU A 42 5.492 12.665 -4.492 1.00 0.00 C ATOM 652 C GLU A 42 6.037 13.473 -3.294 1.00 0.00 C ATOM 653 O GLU A 42 6.573 14.573 -3.469 1.00 0.00 O ATOM 654 CB GLU A 42 4.181 13.265 -5.058 1.00 0.00 C ATOM 655 CG GLU A 42 2.970 13.154 -4.114 1.00 0.00 C ATOM 656 CD GLU A 42 1.659 13.617 -4.757 1.00 0.00 C ATOM 657 OE1 GLU A 42 1.389 14.835 -4.756 1.00 0.00 O ATOM 658 OE2 GLU A 42 0.901 12.765 -5.270 1.00 0.00 O ATOM 0 H GLU A 42 4.637 11.159 -3.300 1.00 0.00 H new ATOM 0 HA GLU A 42 6.252 12.713 -5.272 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.348 14.316 -5.292 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.942 12.764 -5.996 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.863 12.118 -3.791 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.159 13.749 -3.220 1.00 0.00 H new ATOM 665 N SER A 43 5.885 12.913 -2.079 1.00 0.00 N ATOM 666 CA SER A 43 6.482 13.456 -0.841 1.00 0.00 C ATOM 667 C SER A 43 8.022 13.314 -0.858 1.00 0.00 C ATOM 668 O SER A 43 8.743 14.130 -0.266 1.00 0.00 O ATOM 669 CB SER A 43 5.898 12.706 0.379 1.00 0.00 C ATOM 670 OG SER A 43 4.483 12.781 0.394 1.00 0.00 O ATOM 0 H SER A 43 5.340 12.064 -1.926 1.00 0.00 H new ATOM 0 HA SER A 43 6.241 14.517 -0.774 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.210 11.662 0.351 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.298 13.134 1.298 1.00 0.00 H new ATOM 0 HG SER A 43 4.138 12.298 1.174 1.00 0.00 H new ATOM 676 N VAL A 44 8.499 12.260 -1.549 1.00 0.00 N ATOM 677 CA VAL A 44 9.914 11.886 -1.607 1.00 0.00 C ATOM 678 C VAL A 44 10.241 11.293 -3.003 1.00 0.00 C ATOM 679 O VAL A 44 9.666 10.282 -3.411 1.00 0.00 O ATOM 680 CB VAL A 44 10.277 10.890 -0.427 1.00 0.00 C ATOM 681 CG1 VAL A 44 9.209 9.769 -0.264 1.00 0.00 C ATOM 682 CG2 VAL A 44 11.700 10.298 -0.590 1.00 0.00 C ATOM 0 H VAL A 44 7.897 11.639 -2.089 1.00 0.00 H new ATOM 0 HA VAL A 44 10.533 12.773 -1.470 1.00 0.00 H new ATOM 0 HB VAL A 44 10.273 11.476 0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 44 9.496 9.109 0.555 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.240 10.218 -0.045 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.142 9.194 -1.187 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.910 9.621 0.238 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.761 9.750 -1.530 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.432 11.106 -0.593 1.00 0.00 H new ATOM 692 N ALA A 45 11.143 11.980 -3.732 1.00 0.00 N ATOM 693 CA ALA A 45 11.564 11.615 -5.100 1.00 0.00 C ATOM 694 C ALA A 45 12.312 10.260 -5.136 1.00 0.00 C ATOM 695 O ALA A 45 13.202 10.016 -4.311 1.00 0.00 O ATOM 696 CB ALA A 45 12.450 12.737 -5.685 1.00 0.00 C ATOM 0 H ALA A 45 11.607 12.818 -3.381 1.00 0.00 H new ATOM 0 HA ALA A 45 10.667 11.501 -5.709 1.00 0.00 H new ATOM 0 HB1 ALA A 45 12.760 12.467 -6.694 1.00 0.00 H new ATOM 0 HB2 ALA A 45 11.884 13.668 -5.716 1.00 0.00 H new ATOM 0 HB3 ALA A 45 13.332 12.869 -5.058 1.00 0.00 H new ATOM 702 N GLY A 46 11.921 9.386 -6.084 1.00 0.00 N ATOM 703 CA GLY A 46 12.571 8.083 -6.284 1.00 0.00 C ATOM 704 C GLY A 46 12.068 6.994 -5.338 1.00 0.00 C ATOM 705 O GLY A 46 12.687 5.935 -5.237 1.00 0.00 O ATOM 0 H GLY A 46 11.150 9.565 -6.727 1.00 0.00 H new ATOM 0 HA2 GLY A 46 12.410 7.761 -7.313 1.00 0.00 H new ATOM 0 HA3 GLY A 46 13.647 8.199 -6.151 1.00 0.00 H new ATOM 709 N ALA A 47 10.959 7.268 -4.635 1.00 0.00 N ATOM 710 CA ALA A 47 10.334 6.322 -3.684 1.00 0.00 C ATOM 711 C ALA A 47 8.898 5.949 -4.110 1.00 0.00 C ATOM 712 O ALA A 47 8.383 6.453 -5.115 1.00 0.00 O ATOM 713 CB ALA A 47 10.348 6.931 -2.280 1.00 0.00 C ATOM 0 H ALA A 47 10.463 8.157 -4.707 1.00 0.00 H new ATOM 0 HA ALA A 47 10.913 5.399 -3.683 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.888 6.236 -1.577 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.377 7.125 -1.978 1.00 0.00 H new ATOM 0 HB3 ALA A 47 9.789 7.867 -2.284 1.00 0.00 H new ATOM 719 N PHE A 48 8.261 5.057 -3.323 1.00 0.00 N ATOM 720 CA PHE A 48 6.912 4.520 -3.618 1.00 0.00 C ATOM 721 C PHE A 48 5.889 4.964 -2.556 1.00 0.00 C ATOM 722 O PHE A 48 6.264 5.501 -1.498 1.00 0.00 O ATOM 723 CB PHE A 48 6.930 2.967 -3.687 1.00 0.00 C ATOM 724 CG PHE A 48 8.045 2.373 -4.537 1.00 0.00 C ATOM 725 CD1 PHE A 48 7.988 2.421 -5.925 1.00 0.00 C ATOM 726 CD2 PHE A 48 9.151 1.762 -3.943 1.00 0.00 C ATOM 727 CE1 PHE A 48 9.002 1.882 -6.692 1.00 0.00 C ATOM 728 CE2 PHE A 48 10.160 1.222 -4.711 1.00 0.00 C ATOM 729 CZ PHE A 48 10.084 1.283 -6.086 1.00 0.00 C ATOM 0 H PHE A 48 8.667 4.687 -2.463 1.00 0.00 H new ATOM 0 HA PHE A 48 6.616 4.920 -4.588 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.018 2.574 -2.674 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.973 2.625 -4.080 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.141 2.885 -6.409 1.00 0.00 H new ATOM 0 HD2 PHE A 48 9.217 1.712 -2.866 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.946 1.930 -7.769 1.00 0.00 H new ATOM 0 HE2 PHE A 48 11.009 0.752 -4.236 1.00 0.00 H new ATOM 0 HZ PHE A 48 10.874 0.860 -6.689 1.00 0.00 H new ATOM 739 N ALA A 49 4.590 4.765 -2.876 1.00 0.00 N ATOM 740 CA ALA A 49 3.472 4.901 -1.918 1.00 0.00 C ATOM 741 C ALA A 49 2.449 3.759 -2.124 1.00 0.00 C ATOM 742 O ALA A 49 2.217 3.336 -3.248 1.00 0.00 O ATOM 743 CB ALA A 49 2.793 6.281 -2.063 1.00 0.00 C ATOM 0 H ALA A 49 4.287 4.503 -3.814 1.00 0.00 H new ATOM 0 HA ALA A 49 3.871 4.828 -0.906 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.973 6.360 -1.349 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.522 7.067 -1.867 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.404 6.391 -3.075 1.00 0.00 H new ATOM 749 N LEU A 50 1.829 3.297 -1.023 1.00 0.00 N ATOM 750 CA LEU A 50 0.871 2.172 -0.999 1.00 0.00 C ATOM 751 C LEU A 50 -0.463 2.685 -0.433 1.00 0.00 C ATOM 752 O LEU A 50 -0.536 3.063 0.735 1.00 0.00 O ATOM 753 CB LEU A 50 1.428 1.005 -0.128 1.00 0.00 C ATOM 754 CG LEU A 50 0.467 -0.205 0.143 1.00 0.00 C ATOM 755 CD1 LEU A 50 0.018 -0.899 -1.163 1.00 0.00 C ATOM 756 CD2 LEU A 50 1.113 -1.223 1.114 1.00 0.00 C ATOM 0 H LEU A 50 1.983 3.705 -0.101 1.00 0.00 H new ATOM 0 HA LEU A 50 0.718 1.788 -2.008 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.327 0.622 -0.611 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.734 1.417 0.834 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.428 0.201 0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.646 -1.730 -0.924 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.510 -0.183 -1.793 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.892 -1.274 -1.695 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.425 -2.051 1.284 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.038 -1.603 0.680 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.332 -0.733 2.063 1.00 0.00 H new ATOM 768 N CYS A 51 -1.504 2.694 -1.269 1.00 0.00 N ATOM 769 CA CYS A 51 -2.823 3.256 -0.943 1.00 0.00 C ATOM 770 C CYS A 51 -3.824 2.095 -0.770 1.00 0.00 C ATOM 771 O CYS A 51 -3.993 1.299 -1.697 1.00 0.00 O ATOM 772 CB CYS A 51 -3.241 4.201 -2.092 1.00 0.00 C ATOM 773 SG CYS A 51 -4.723 5.179 -1.782 1.00 0.00 S ATOM 0 H CYS A 51 -1.456 2.304 -2.210 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.799 3.826 -0.014 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.414 4.880 -2.301 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -3.400 3.605 -2.991 1.00 0.00 H new ATOM 0 HG CYS A 51 -4.970 5.931 -2.813 1.00 0.00 H new ATOM 779 N VAL A 52 -4.472 1.994 0.416 1.00 0.00 N ATOM 780 CA VAL A 52 -5.315 0.826 0.794 1.00 0.00 C ATOM 781 C VAL A 52 -6.701 1.302 1.299 1.00 0.00 C ATOM 782 O VAL A 52 -6.788 1.966 2.333 1.00 0.00 O ATOM 783 CB VAL A 52 -4.622 -0.054 1.915 1.00 0.00 C ATOM 784 CG1 VAL A 52 -5.450 -1.332 2.233 1.00 0.00 C ATOM 785 CG2 VAL A 52 -3.159 -0.420 1.541 1.00 0.00 C ATOM 0 H VAL A 52 -4.428 2.715 1.137 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.440 0.212 -0.098 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.588 0.555 2.818 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.944 -1.910 3.006 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.441 -1.045 2.585 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.546 -1.937 1.331 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.720 -1.023 2.336 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.152 -0.986 0.610 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.577 0.493 1.415 1.00 0.00 H new ATOM 795 N LEU A 53 -7.771 0.945 0.562 1.00 0.00 N ATOM 796 CA LEU A 53 -9.175 1.258 0.913 1.00 0.00 C ATOM 797 C LEU A 53 -9.807 0.078 1.670 1.00 0.00 C ATOM 798 O LEU A 53 -9.642 -1.078 1.272 1.00 0.00 O ATOM 799 CB LEU A 53 -9.982 1.561 -0.387 1.00 0.00 C ATOM 800 CG LEU A 53 -11.546 1.711 -0.272 1.00 0.00 C ATOM 801 CD1 LEU A 53 -11.992 2.694 0.843 1.00 0.00 C ATOM 802 CD2 LEU A 53 -12.154 2.123 -1.636 1.00 0.00 C ATOM 0 H LEU A 53 -7.685 0.422 -0.309 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.197 2.135 1.560 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.589 2.483 -0.816 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.775 0.764 -1.101 1.00 0.00 H new ATOM 0 HG LEU A 53 -11.927 0.731 0.014 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -13.080 2.749 0.866 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -11.626 2.341 1.807 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -11.583 3.684 0.640 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -13.235 2.222 -1.538 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.730 3.076 -1.950 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -11.926 1.361 -2.381 1.00 0.00 H new ATOM 814 N TYR A 54 -10.557 0.401 2.742 1.00 0.00 N ATOM 815 CA TYR A 54 -11.323 -0.563 3.534 1.00 0.00 C ATOM 816 C TYR A 54 -12.367 0.193 4.383 1.00 0.00 C ATOM 817 O TYR A 54 -12.005 1.064 5.176 1.00 0.00 O ATOM 818 CB TYR A 54 -10.392 -1.438 4.419 1.00 0.00 C ATOM 819 CG TYR A 54 -11.131 -2.403 5.370 1.00 0.00 C ATOM 820 CD1 TYR A 54 -11.906 -3.464 4.874 1.00 0.00 C ATOM 821 CD2 TYR A 54 -11.053 -2.252 6.759 1.00 0.00 C ATOM 822 CE1 TYR A 54 -12.568 -4.328 5.731 1.00 0.00 C ATOM 823 CE2 TYR A 54 -11.716 -3.114 7.610 1.00 0.00 C ATOM 824 CZ TYR A 54 -12.467 -4.148 7.093 1.00 0.00 C ATOM 825 OH TYR A 54 -13.119 -5.009 7.946 1.00 0.00 O ATOM 0 H TYR A 54 -10.644 1.359 3.082 1.00 0.00 H new ATOM 0 HA TYR A 54 -11.842 -1.245 2.860 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -9.737 -2.019 3.770 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -9.754 -0.782 5.012 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -11.987 -3.609 3.807 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -10.464 -1.447 7.173 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -13.160 -5.139 5.333 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -11.646 -2.978 8.679 1.00 0.00 H new ATOM 0 HH TYR A 54 -12.945 -4.745 8.874 1.00 0.00 H new ATOM 835 N GLN A 55 -13.645 -0.186 4.178 1.00 0.00 N ATOM 836 CA GLN A 55 -14.844 0.363 4.857 1.00 0.00 C ATOM 837 C GLN A 55 -14.801 1.901 5.045 1.00 0.00 C ATOM 838 O GLN A 55 -14.827 2.397 6.173 1.00 0.00 O ATOM 839 CB GLN A 55 -15.093 -0.381 6.206 1.00 0.00 C ATOM 840 CG GLN A 55 -15.377 -1.892 6.073 1.00 0.00 C ATOM 841 CD GLN A 55 -16.642 -2.237 5.272 1.00 0.00 C ATOM 842 OE1 GLN A 55 -17.618 -1.481 5.254 1.00 0.00 O ATOM 843 NE2 GLN A 55 -16.638 -3.384 4.604 1.00 0.00 N ATOM 0 H GLN A 55 -13.884 -0.915 3.506 1.00 0.00 H new ATOM 0 HA GLN A 55 -15.691 0.181 4.196 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -14.221 -0.245 6.845 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -15.936 0.089 6.713 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -14.520 -2.369 5.597 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -15.467 -2.321 7.071 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -15.818 -3.990 4.636 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -17.455 -3.659 4.059 1.00 0.00 H new ATOM 852 N LYS A 56 -14.735 2.634 3.909 1.00 0.00 N ATOM 853 CA LYS A 56 -14.711 4.119 3.864 1.00 0.00 C ATOM 854 C LYS A 56 -13.473 4.726 4.565 1.00 0.00 C ATOM 855 O LYS A 56 -13.531 5.853 5.076 1.00 0.00 O ATOM 856 CB LYS A 56 -16.031 4.722 4.444 1.00 0.00 C ATOM 857 CG LYS A 56 -17.315 4.339 3.676 1.00 0.00 C ATOM 858 CD LYS A 56 -17.291 4.770 2.188 1.00 0.00 C ATOM 859 CE LYS A 56 -17.097 6.289 1.993 1.00 0.00 C ATOM 860 NZ LYS A 56 -18.155 7.093 2.660 1.00 0.00 N ATOM 0 H LYS A 56 -14.696 2.206 2.984 1.00 0.00 H new ATOM 0 HA LYS A 56 -14.637 4.391 2.811 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -16.135 4.400 5.480 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -15.942 5.808 4.455 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -17.455 3.260 3.732 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -18.174 4.798 4.166 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -16.487 4.240 1.677 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -18.225 4.467 1.714 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -16.123 6.580 2.386 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -17.091 6.517 0.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -17.996 8.103 2.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -19.087 6.814 2.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -18.123 6.925 3.686 1.00 0.00 H new ATOM 874 N HIS A 57 -12.350 3.989 4.555 1.00 0.00 N ATOM 875 CA HIS A 57 -11.073 4.451 5.137 1.00 0.00 C ATOM 876 C HIS A 57 -9.914 4.067 4.204 1.00 0.00 C ATOM 877 O HIS A 57 -9.566 2.884 4.091 1.00 0.00 O ATOM 878 CB HIS A 57 -10.851 3.866 6.562 1.00 0.00 C ATOM 879 CG HIS A 57 -11.860 4.324 7.581 1.00 0.00 C ATOM 880 ND1 HIS A 57 -11.855 5.593 8.114 1.00 0.00 N ATOM 881 CD2 HIS A 57 -12.926 3.696 8.130 1.00 0.00 C ATOM 882 CE1 HIS A 57 -12.869 5.722 8.945 1.00 0.00 C ATOM 883 NE2 HIS A 57 -13.534 4.588 8.970 1.00 0.00 N ATOM 0 H HIS A 57 -12.299 3.057 4.144 1.00 0.00 H new ATOM 0 HA HIS A 57 -11.111 5.536 5.236 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -10.878 2.778 6.504 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -9.854 4.142 6.905 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -13.238 2.680 7.940 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -13.113 6.609 9.510 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -14.369 4.403 9.526 1.00 0.00 H new ATOM 892 N VAL A 58 -9.350 5.074 3.511 1.00 0.00 N ATOM 893 CA VAL A 58 -8.183 4.896 2.632 1.00 0.00 C ATOM 894 C VAL A 58 -6.925 5.388 3.357 1.00 0.00 C ATOM 895 O VAL A 58 -6.812 6.583 3.658 1.00 0.00 O ATOM 896 CB VAL A 58 -8.318 5.674 1.272 1.00 0.00 C ATOM 897 CG1 VAL A 58 -7.183 5.265 0.306 1.00 0.00 C ATOM 898 CG2 VAL A 58 -9.699 5.463 0.624 1.00 0.00 C ATOM 0 H VAL A 58 -9.692 6.034 3.546 1.00 0.00 H new ATOM 0 HA VAL A 58 -8.117 3.833 2.399 1.00 0.00 H new ATOM 0 HB VAL A 58 -8.227 6.739 1.487 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -7.289 5.811 -0.631 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.219 5.501 0.757 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.240 4.194 0.110 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -9.750 6.018 -0.313 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.850 4.402 0.426 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -10.476 5.820 1.300 1.00 0.00 H new ATOM 908 N HIS A 59 -5.995 4.472 3.655 1.00 0.00 N ATOM 909 CA HIS A 59 -4.713 4.798 4.293 1.00 0.00 C ATOM 910 C HIS A 59 -3.606 4.703 3.233 1.00 0.00 C ATOM 911 O HIS A 59 -3.471 3.668 2.579 1.00 0.00 O ATOM 912 CB HIS A 59 -4.431 3.795 5.450 1.00 0.00 C ATOM 913 CG HIS A 59 -5.529 3.697 6.488 1.00 0.00 C ATOM 914 ND1 HIS A 59 -5.387 4.124 7.791 1.00 0.00 N ATOM 915 CD2 HIS A 59 -6.787 3.198 6.401 1.00 0.00 C ATOM 916 CE1 HIS A 59 -6.502 3.892 8.452 1.00 0.00 C ATOM 917 NE2 HIS A 59 -7.370 3.330 7.634 1.00 0.00 N ATOM 0 H HIS A 59 -6.111 3.478 3.459 1.00 0.00 H new ATOM 0 HA HIS A 59 -4.745 5.806 4.707 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -4.266 2.806 5.022 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.506 4.086 5.947 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -4.548 4.553 8.182 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -7.246 2.774 5.520 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -6.677 4.124 9.492 1.00 0.00 H new ATOM 926 N THR A 60 -2.810 5.769 3.075 1.00 0.00 N ATOM 927 CA THR A 60 -1.715 5.812 2.091 1.00 0.00 C ATOM 928 C THR A 60 -0.393 5.861 2.865 1.00 0.00 C ATOM 929 O THR A 60 -0.273 6.598 3.850 1.00 0.00 O ATOM 930 CB THR A 60 -1.839 7.034 1.116 1.00 0.00 C ATOM 931 OG1 THR A 60 -3.161 7.064 0.540 1.00 0.00 O ATOM 932 CG2 THR A 60 -0.793 6.984 -0.020 1.00 0.00 C ATOM 0 H THR A 60 -2.905 6.624 3.623 1.00 0.00 H new ATOM 0 HA THR A 60 -1.761 4.922 1.463 1.00 0.00 H new ATOM 0 HB THR A 60 -1.656 7.936 1.701 1.00 0.00 H new ATOM 0 HG1 THR A 60 -3.248 6.343 -0.118 1.00 0.00 H new ATOM 0 HG21 THR A 60 -0.919 7.851 -0.669 1.00 0.00 H new ATOM 0 HG22 THR A 60 0.209 6.993 0.408 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.931 6.072 -0.602 1.00 0.00 H new ATOM 940 N TYR A 61 0.585 5.066 2.419 1.00 0.00 N ATOM 941 CA TYR A 61 1.854 4.851 3.129 1.00 0.00 C ATOM 942 C TYR A 61 3.016 5.108 2.167 1.00 0.00 C ATOM 943 O TYR A 61 3.200 4.344 1.230 1.00 0.00 O ATOM 944 CB TYR A 61 1.940 3.397 3.691 1.00 0.00 C ATOM 945 CG TYR A 61 0.844 3.025 4.715 1.00 0.00 C ATOM 946 CD1 TYR A 61 0.641 3.805 5.861 1.00 0.00 C ATOM 947 CD2 TYR A 61 0.020 1.903 4.541 1.00 0.00 C ATOM 948 CE1 TYR A 61 -0.336 3.483 6.784 1.00 0.00 C ATOM 949 CE2 TYR A 61 -0.956 1.584 5.469 1.00 0.00 C ATOM 950 CZ TYR A 61 -1.125 2.377 6.584 1.00 0.00 C ATOM 951 OH TYR A 61 -2.097 2.065 7.508 1.00 0.00 O ATOM 0 H TYR A 61 0.519 4.546 1.544 1.00 0.00 H new ATOM 0 HA TYR A 61 1.909 5.542 3.970 1.00 0.00 H new ATOM 0 HB2 TYR A 61 1.888 2.698 2.856 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.915 3.262 4.160 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.260 4.675 6.026 1.00 0.00 H new ATOM 0 HD2 TYR A 61 0.149 1.279 3.669 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -0.478 4.099 7.660 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -1.583 0.717 5.320 1.00 0.00 H new ATOM 0 HH TYR A 61 -2.571 1.256 7.224 1.00 0.00 H new ATOM 961 N ARG A 62 3.771 6.199 2.380 1.00 0.00 N ATOM 962 CA ARG A 62 5.050 6.439 1.670 1.00 0.00 C ATOM 963 C ARG A 62 6.029 5.281 1.967 1.00 0.00 C ATOM 964 O ARG A 62 5.907 4.611 3.002 1.00 0.00 O ATOM 965 CB ARG A 62 5.682 7.810 2.052 1.00 0.00 C ATOM 966 CG ARG A 62 5.987 8.011 3.570 1.00 0.00 C ATOM 967 CD ARG A 62 4.819 8.616 4.372 1.00 0.00 C ATOM 968 NE ARG A 62 4.541 10.003 3.962 1.00 0.00 N ATOM 969 CZ ARG A 62 3.596 10.789 4.475 1.00 0.00 C ATOM 970 NH1 ARG A 62 2.794 10.366 5.437 1.00 0.00 N ATOM 971 NH2 ARG A 62 3.468 12.024 4.039 1.00 0.00 N ATOM 0 H ARG A 62 3.521 6.935 3.040 1.00 0.00 H new ATOM 0 HA ARG A 62 4.844 6.475 0.600 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.611 7.930 1.494 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.009 8.604 1.726 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.253 7.048 4.007 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.858 8.659 3.672 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.926 8.008 4.230 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.056 8.591 5.436 1.00 0.00 H new ATOM 0 HE ARG A 62 5.122 10.395 3.221 1.00 0.00 H new ATOM 0 HH11 ARG A 62 2.891 9.419 5.803 1.00 0.00 H new ATOM 0 HH12 ARG A 62 2.078 10.987 5.814 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.091 12.375 3.312 1.00 0.00 H new ATOM 0 HH22 ARG A 62 2.746 12.630 4.428 1.00 0.00 H new ATOM 985 N ILE A 63 7.020 5.058 1.089 1.00 0.00 N ATOM 986 CA ILE A 63 7.755 3.773 1.065 1.00 0.00 C ATOM 987 C ILE A 63 9.172 4.175 0.667 1.00 0.00 C ATOM 988 O ILE A 63 9.417 4.450 -0.512 1.00 0.00 O ATOM 989 CB ILE A 63 7.185 2.710 0.047 1.00 0.00 C ATOM 990 CG1 ILE A 63 5.731 2.276 0.429 1.00 0.00 C ATOM 991 CG2 ILE A 63 8.131 1.481 -0.079 1.00 0.00 C ATOM 992 CD1 ILE A 63 5.064 1.362 -0.571 1.00 0.00 C ATOM 0 H ILE A 63 7.331 5.737 0.394 1.00 0.00 H new ATOM 0 HA ILE A 63 7.678 3.275 2.032 1.00 0.00 H new ATOM 0 HB ILE A 63 7.137 3.187 -0.932 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.758 1.776 1.397 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.119 3.170 0.549 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.709 0.768 -0.788 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.108 1.809 -0.433 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.239 1.004 0.895 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.061 1.113 -0.224 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.000 1.864 -1.536 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.649 0.448 -0.675 1.00 0.00 H new ATOM 1004 N LEU A 64 10.102 4.229 1.622 1.00 0.00 N ATOM 1005 CA LEU A 64 11.409 4.873 1.392 1.00 0.00 C ATOM 1006 C LEU A 64 12.509 3.821 1.471 1.00 0.00 C ATOM 1007 O LEU A 64 12.415 2.922 2.317 1.00 0.00 O ATOM 1008 CB LEU A 64 11.704 6.011 2.424 1.00 0.00 C ATOM 1009 CG LEU A 64 10.849 7.316 2.300 1.00 0.00 C ATOM 1010 CD1 LEU A 64 9.431 7.132 2.872 1.00 0.00 C ATOM 1011 CD2 LEU A 64 11.562 8.526 2.955 1.00 0.00 C ATOM 0 H LEU A 64 9.982 3.840 2.557 1.00 0.00 H new ATOM 0 HA LEU A 64 11.381 5.329 0.402 1.00 0.00 H new ATOM 0 HB2 LEU A 64 11.562 5.606 3.426 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.756 6.284 2.337 1.00 0.00 H new ATOM 0 HG LEU A 64 10.745 7.526 1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.872 8.062 2.766 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.920 6.337 2.329 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.496 6.867 3.927 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.940 9.415 2.850 1.00 0.00 H new ATOM 0 HD22 LEU A 64 11.728 8.322 4.013 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.520 8.694 2.463 1.00 0.00 H new ATOM 1023 N PRO A 65 13.555 3.899 0.580 1.00 0.00 N ATOM 1024 CA PRO A 65 14.804 3.156 0.783 1.00 0.00 C ATOM 1025 C PRO A 65 15.429 3.569 2.133 1.00 0.00 C ATOM 1026 O PRO A 65 15.424 2.786 3.093 1.00 0.00 O ATOM 1027 CB PRO A 65 15.680 3.536 -0.445 1.00 0.00 C ATOM 1028 CG PRO A 65 14.705 4.037 -1.468 1.00 0.00 C ATOM 1029 CD PRO A 65 13.578 4.677 -0.691 1.00 0.00 C ATOM 0 HA PRO A 65 14.680 2.075 0.840 1.00 0.00 H new ATOM 0 HB2 PRO A 65 16.412 4.301 -0.187 1.00 0.00 H new ATOM 0 HB3 PRO A 65 16.236 2.675 -0.816 1.00 0.00 H new ATOM 0 HG2 PRO A 65 15.176 4.757 -2.136 1.00 0.00 H new ATOM 0 HG3 PRO A 65 14.336 3.220 -2.089 1.00 0.00 H new ATOM 0 HD2 PRO A 65 13.763 5.736 -0.511 1.00 0.00 H new ATOM 0 HD3 PRO A 65 12.630 4.605 -1.224 1.00 0.00 H new ATOM 1037 N ASP A 66 15.952 4.818 2.186 1.00 0.00 N ATOM 1038 CA ASP A 66 16.363 5.523 3.432 1.00 0.00 C ATOM 1039 C ASP A 66 17.444 4.746 4.229 1.00 0.00 C ATOM 1040 O ASP A 66 17.704 5.031 5.404 1.00 0.00 O ATOM 1041 CB ASP A 66 15.097 5.860 4.292 1.00 0.00 C ATOM 1042 CG ASP A 66 15.350 6.859 5.440 1.00 0.00 C ATOM 1043 OD1 ASP A 66 15.945 7.933 5.185 1.00 0.00 O ATOM 1044 OD2 ASP A 66 14.960 6.583 6.599 1.00 0.00 O ATOM 0 H ASP A 66 16.105 5.378 1.347 1.00 0.00 H new ATOM 0 HA ASP A 66 16.842 6.462 3.153 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.326 6.266 3.637 1.00 0.00 H new ATOM 0 HB3 ASP A 66 14.703 4.935 4.713 1.00 0.00 H new ATOM 1049 N GLY A 67 18.079 3.774 3.557 1.00 0.00 N ATOM 1050 CA GLY A 67 19.167 2.990 4.093 1.00 0.00 C ATOM 1051 C GLY A 67 19.693 2.075 2.993 1.00 0.00 C ATOM 1052 O GLY A 67 18.883 1.481 2.264 1.00 0.00 O ATOM 0 H GLY A 67 17.832 3.516 2.601 1.00 0.00 H new ATOM 0 HA2 GLY A 67 19.962 3.643 4.455 1.00 0.00 H new ATOM 0 HA3 GLY A 67 18.826 2.401 4.944 1.00 0.00 H new ATOM 1056 N GLU A 68 21.031 1.963 2.893 1.00 0.00 N ATOM 1057 CA GLU A 68 21.791 1.389 1.737 1.00 0.00 C ATOM 1058 C GLU A 68 21.128 0.211 0.973 1.00 0.00 C ATOM 1059 O GLU A 68 21.082 0.218 -0.266 1.00 0.00 O ATOM 1060 CB GLU A 68 23.185 0.927 2.241 1.00 0.00 C ATOM 1061 CG GLU A 68 24.002 2.020 2.956 1.00 0.00 C ATOM 1062 CD GLU A 68 25.308 1.499 3.583 1.00 0.00 C ATOM 1063 OE1 GLU A 68 25.236 0.740 4.578 1.00 0.00 O ATOM 1064 OE2 GLU A 68 26.405 1.841 3.090 1.00 0.00 O ATOM 0 H GLU A 68 21.649 2.280 3.640 1.00 0.00 H new ATOM 0 HA GLU A 68 21.835 2.199 1.009 1.00 0.00 H new ATOM 0 HB2 GLU A 68 23.050 0.087 2.923 1.00 0.00 H new ATOM 0 HB3 GLU A 68 23.760 0.559 1.392 1.00 0.00 H new ATOM 0 HG2 GLU A 68 24.240 2.809 2.243 1.00 0.00 H new ATOM 0 HG3 GLU A 68 23.388 2.470 3.736 1.00 0.00 H new ATOM 1071 N ASP A 69 20.590 -0.777 1.706 1.00 0.00 N ATOM 1072 CA ASP A 69 20.235 -2.100 1.111 1.00 0.00 C ATOM 1073 C ASP A 69 18.715 -2.376 1.088 1.00 0.00 C ATOM 1074 O ASP A 69 18.251 -3.242 0.328 1.00 0.00 O ATOM 1075 CB ASP A 69 20.993 -3.231 1.866 1.00 0.00 C ATOM 1076 CG ASP A 69 20.864 -4.613 1.184 1.00 0.00 C ATOM 1077 OD1 ASP A 69 21.468 -4.796 0.105 1.00 0.00 O ATOM 1078 OD2 ASP A 69 20.177 -5.510 1.719 1.00 0.00 O ATOM 0 H ASP A 69 20.388 -0.698 2.703 1.00 0.00 H new ATOM 0 HA ASP A 69 20.547 -2.077 0.067 1.00 0.00 H new ATOM 0 HB2 ASP A 69 22.048 -2.966 1.939 1.00 0.00 H new ATOM 0 HB3 ASP A 69 20.610 -3.299 2.884 1.00 0.00 H new ATOM 1083 N PHE A 70 17.931 -1.621 1.862 1.00 0.00 N ATOM 1084 CA PHE A 70 16.517 -1.947 2.126 1.00 0.00 C ATOM 1085 C PHE A 70 15.593 -0.776 1.788 1.00 0.00 C ATOM 1086 O PHE A 70 16.037 0.368 1.665 1.00 0.00 O ATOM 1087 CB PHE A 70 16.341 -2.363 3.613 1.00 0.00 C ATOM 1088 CG PHE A 70 16.637 -1.259 4.644 1.00 0.00 C ATOM 1089 CD1 PHE A 70 17.943 -0.985 5.057 1.00 0.00 C ATOM 1090 CD2 PHE A 70 15.600 -0.502 5.202 1.00 0.00 C ATOM 1091 CE1 PHE A 70 18.199 0.007 5.990 1.00 0.00 C ATOM 1092 CE2 PHE A 70 15.862 0.486 6.132 1.00 0.00 C ATOM 1093 CZ PHE A 70 17.158 0.739 6.525 1.00 0.00 C ATOM 0 H PHE A 70 18.251 -0.770 2.324 1.00 0.00 H new ATOM 0 HA PHE A 70 16.237 -2.780 1.481 1.00 0.00 H new ATOM 0 HB2 PHE A 70 15.317 -2.708 3.758 1.00 0.00 H new ATOM 0 HB3 PHE A 70 16.995 -3.211 3.816 1.00 0.00 H new ATOM 0 HD1 PHE A 70 18.763 -1.553 4.644 1.00 0.00 H new ATOM 0 HD2 PHE A 70 14.580 -0.693 4.901 1.00 0.00 H new ATOM 0 HE1 PHE A 70 19.214 0.208 6.299 1.00 0.00 H new ATOM 0 HE2 PHE A 70 15.049 1.061 6.551 1.00 0.00 H new ATOM 0 HZ PHE A 70 17.360 1.511 7.253 1.00 0.00 H new ATOM 1103 N LEU A 71 14.312 -1.118 1.617 1.00 0.00 N ATOM 1104 CA LEU A 71 13.184 -0.189 1.567 1.00 0.00 C ATOM 1105 C LEU A 71 12.211 -0.596 2.688 1.00 0.00 C ATOM 1106 O LEU A 71 11.736 -1.734 2.721 1.00 0.00 O ATOM 1107 CB LEU A 71 12.523 -0.162 0.140 1.00 0.00 C ATOM 1108 CG LEU A 71 11.966 -1.520 -0.468 1.00 0.00 C ATOM 1109 CD1 LEU A 71 10.467 -1.758 -0.129 1.00 0.00 C ATOM 1110 CD2 LEU A 71 12.203 -1.606 -1.998 1.00 0.00 C ATOM 0 H LEU A 71 14.023 -2.090 1.505 1.00 0.00 H new ATOM 0 HA LEU A 71 13.511 0.837 1.735 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.698 0.549 0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 71 13.260 0.235 -0.558 1.00 0.00 H new ATOM 0 HG LEU A 71 12.535 -2.318 0.009 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.139 -2.700 -0.569 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.341 -1.800 0.953 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.869 -0.941 -0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.808 -2.549 -2.375 1.00 0.00 H new ATOM 0 HD22 LEU A 71 11.696 -0.777 -2.492 1.00 0.00 H new ATOM 0 HD23 LEU A 71 13.272 -1.552 -2.204 1.00 0.00 H new ATOM 1122 N ALA A 72 11.977 0.307 3.650 1.00 0.00 N ATOM 1123 CA ALA A 72 11.095 0.049 4.799 1.00 0.00 C ATOM 1124 C ALA A 72 9.839 0.921 4.702 1.00 0.00 C ATOM 1125 O ALA A 72 9.864 2.047 4.177 1.00 0.00 O ATOM 1126 CB ALA A 72 11.835 0.284 6.132 1.00 0.00 C ATOM 0 H ALA A 72 12.394 1.238 3.654 1.00 0.00 H new ATOM 0 HA ALA A 72 10.792 -0.998 4.776 1.00 0.00 H new ATOM 0 HB1 ALA A 72 11.159 0.086 6.963 1.00 0.00 H new ATOM 0 HB2 ALA A 72 12.693 -0.385 6.195 1.00 0.00 H new ATOM 0 HB3 ALA A 72 12.177 1.318 6.181 1.00 0.00 H new ATOM 1132 N VAL A 73 8.747 0.364 5.225 1.00 0.00 N ATOM 1133 CA VAL A 73 7.413 0.984 5.231 1.00 0.00 C ATOM 1134 C VAL A 73 6.962 1.066 6.688 1.00 0.00 C ATOM 1135 O VAL A 73 7.040 0.056 7.412 1.00 0.00 O ATOM 1136 CB VAL A 73 6.376 0.146 4.396 1.00 0.00 C ATOM 1137 CG1 VAL A 73 4.991 0.853 4.313 1.00 0.00 C ATOM 1138 CG2 VAL A 73 6.944 -0.158 2.991 1.00 0.00 C ATOM 0 H VAL A 73 8.761 -0.554 5.669 1.00 0.00 H new ATOM 0 HA VAL A 73 7.465 1.971 4.772 1.00 0.00 H new ATOM 0 HB VAL A 73 6.212 -0.800 4.913 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.305 0.241 3.728 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.591 0.988 5.318 1.00 0.00 H new ATOM 0 HG13 VAL A 73 5.107 1.826 3.835 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.217 -0.738 2.423 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.148 0.778 2.471 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.868 -0.728 3.088 1.00 0.00 H new ATOM 1148 N GLN A 74 6.483 2.246 7.109 1.00 0.00 N ATOM 1149 CA GLN A 74 6.053 2.473 8.492 1.00 0.00 C ATOM 1150 C GLN A 74 4.666 1.864 8.660 1.00 0.00 C ATOM 1151 O GLN A 74 3.653 2.475 8.297 1.00 0.00 O ATOM 1152 CB GLN A 74 6.072 3.984 8.854 1.00 0.00 C ATOM 1153 CG GLN A 74 7.467 4.639 8.784 1.00 0.00 C ATOM 1154 CD GLN A 74 8.482 4.004 9.741 1.00 0.00 C ATOM 1155 OE1 GLN A 74 9.184 3.051 9.387 1.00 0.00 O ATOM 1156 NE2 GLN A 74 8.571 4.527 10.952 1.00 0.00 N ATOM 0 H GLN A 74 6.384 3.062 6.505 1.00 0.00 H new ATOM 0 HA GLN A 74 6.747 1.993 9.181 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.400 4.515 8.179 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.676 4.109 9.862 1.00 0.00 H new ATOM 0 HG2 GLN A 74 7.844 4.566 7.764 1.00 0.00 H new ATOM 0 HG3 GLN A 74 7.375 5.700 9.015 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.977 5.314 11.213 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.234 4.144 11.626 1.00 0.00 H new ATOM 1165 N THR A 75 4.662 0.611 9.145 1.00 0.00 N ATOM 1166 CA THR A 75 3.452 -0.189 9.321 1.00 0.00 C ATOM 1167 C THR A 75 2.650 0.410 10.489 1.00 0.00 C ATOM 1168 O THR A 75 1.540 0.918 10.307 1.00 0.00 O ATOM 1169 CB THR A 75 3.827 -1.688 9.617 1.00 0.00 C ATOM 1170 OG1 THR A 75 4.978 -2.062 8.839 1.00 0.00 O ATOM 1171 CG2 THR A 75 2.669 -2.651 9.298 1.00 0.00 C ATOM 0 H THR A 75 5.513 0.125 9.428 1.00 0.00 H new ATOM 0 HA THR A 75 2.852 -0.172 8.411 1.00 0.00 H new ATOM 0 HB THR A 75 4.044 -1.765 10.682 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.740 -2.075 7.888 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.975 -3.674 9.518 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.803 -2.392 9.907 1.00 0.00 H new ATOM 0 HG23 THR A 75 2.408 -2.570 8.243 1.00 0.00 H new ATOM 1179 N SER A 76 3.284 0.364 11.672 1.00 0.00 N ATOM 1180 CA SER A 76 2.837 1.028 12.895 1.00 0.00 C ATOM 1181 C SER A 76 4.031 1.075 13.862 1.00 0.00 C ATOM 1182 O SER A 76 4.512 0.023 14.284 1.00 0.00 O ATOM 1183 CB SER A 76 1.637 0.294 13.561 1.00 0.00 C ATOM 1184 OG SER A 76 0.464 0.343 12.762 1.00 0.00 O ATOM 0 H SER A 76 4.152 -0.156 11.802 1.00 0.00 H new ATOM 0 HA SER A 76 2.488 2.031 12.648 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.906 -0.746 13.743 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.432 0.745 14.532 1.00 0.00 H new ATOM 0 HG SER A 76 0.689 0.686 11.872 1.00 0.00 H new ATOM 1190 N GLN A 77 4.540 2.285 14.162 1.00 0.00 N ATOM 1191 CA GLN A 77 5.544 2.489 15.223 1.00 0.00 C ATOM 1192 C GLN A 77 4.856 2.225 16.574 1.00 0.00 C ATOM 1193 O GLN A 77 4.130 3.077 17.098 1.00 0.00 O ATOM 1194 CB GLN A 77 6.135 3.924 15.138 1.00 0.00 C ATOM 1195 CG GLN A 77 6.855 4.229 13.807 1.00 0.00 C ATOM 1196 CD GLN A 77 7.326 5.681 13.687 1.00 0.00 C ATOM 1197 OE1 GLN A 77 8.440 6.026 14.074 1.00 0.00 O ATOM 1198 NE2 GLN A 77 6.475 6.535 13.141 1.00 0.00 N ATOM 0 H GLN A 77 4.269 3.142 13.680 1.00 0.00 H new ATOM 0 HA GLN A 77 6.382 1.802 15.107 1.00 0.00 H new ATOM 0 HB2 GLN A 77 5.330 4.646 15.278 1.00 0.00 H new ATOM 0 HB3 GLN A 77 6.837 4.066 15.960 1.00 0.00 H new ATOM 0 HG2 GLN A 77 7.715 3.567 13.708 1.00 0.00 H new ATOM 0 HG3 GLN A 77 6.183 4.004 12.979 1.00 0.00 H new ATOM 0 HE21 GLN A 77 5.558 6.213 12.831 1.00 0.00 H new ATOM 0 HE22 GLN A 77 6.736 7.515 13.030 1.00 0.00 H new ATOM 1207 N GLY A 78 5.042 1.000 17.082 1.00 0.00 N ATOM 1208 CA GLY A 78 4.223 0.433 18.155 1.00 0.00 C ATOM 1209 C GLY A 78 4.195 -1.089 18.040 1.00 0.00 C ATOM 1210 O GLY A 78 3.932 -1.802 19.013 1.00 0.00 O ATOM 0 H GLY A 78 5.774 0.370 16.754 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.626 0.726 19.125 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.209 0.829 18.098 1.00 0.00 H new ATOM 1214 N VAL A 79 4.467 -1.572 16.810 1.00 0.00 N ATOM 1215 CA VAL A 79 4.690 -2.994 16.480 1.00 0.00 C ATOM 1216 C VAL A 79 6.008 -3.071 15.661 1.00 0.00 C ATOM 1217 O VAL A 79 6.364 -2.070 15.016 1.00 0.00 O ATOM 1218 CB VAL A 79 3.483 -3.628 15.661 1.00 0.00 C ATOM 1219 CG1 VAL A 79 2.144 -3.495 16.429 1.00 0.00 C ATOM 1220 CG2 VAL A 79 3.363 -3.040 14.224 1.00 0.00 C ATOM 0 H VAL A 79 4.540 -0.964 15.994 1.00 0.00 H new ATOM 0 HA VAL A 79 4.759 -3.573 17.401 1.00 0.00 H new ATOM 0 HB VAL A 79 3.708 -4.689 15.553 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.341 -3.939 15.840 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.220 -4.012 17.386 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.927 -2.441 16.602 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.524 -3.507 13.709 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.199 -1.964 14.284 1.00 0.00 H new ATOM 0 HG23 VAL A 79 4.282 -3.237 13.672 1.00 0.00 H new ATOM 1230 N PRO A 80 6.765 -4.219 15.673 1.00 0.00 N ATOM 1231 CA PRO A 80 8.029 -4.350 14.894 1.00 0.00 C ATOM 1232 C PRO A 80 7.841 -4.033 13.381 1.00 0.00 C ATOM 1233 O PRO A 80 6.974 -4.608 12.712 1.00 0.00 O ATOM 1234 CB PRO A 80 8.462 -5.833 15.132 1.00 0.00 C ATOM 1235 CG PRO A 80 7.238 -6.514 15.666 1.00 0.00 C ATOM 1236 CD PRO A 80 6.486 -5.457 16.443 1.00 0.00 C ATOM 0 HA PRO A 80 8.784 -3.633 15.218 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.801 -6.299 14.206 1.00 0.00 H new ATOM 0 HB3 PRO A 80 9.288 -5.894 15.840 1.00 0.00 H new ATOM 0 HG2 PRO A 80 6.627 -6.913 14.856 1.00 0.00 H new ATOM 0 HG3 PRO A 80 7.506 -7.354 16.307 1.00 0.00 H new ATOM 0 HD2 PRO A 80 5.418 -5.672 16.489 1.00 0.00 H new ATOM 0 HD3 PRO A 80 6.841 -5.382 17.471 1.00 0.00 H new ATOM 1244 N VAL A 81 8.647 -3.082 12.884 1.00 0.00 N ATOM 1245 CA VAL A 81 8.651 -2.664 11.476 1.00 0.00 C ATOM 1246 C VAL A 81 9.591 -3.604 10.693 1.00 0.00 C ATOM 1247 O VAL A 81 10.647 -3.999 11.201 1.00 0.00 O ATOM 1248 CB VAL A 81 9.106 -1.159 11.332 1.00 0.00 C ATOM 1249 CG1 VAL A 81 9.193 -0.716 9.844 1.00 0.00 C ATOM 1250 CG2 VAL A 81 8.162 -0.215 12.137 1.00 0.00 C ATOM 0 H VAL A 81 9.322 -2.576 13.457 1.00 0.00 H new ATOM 0 HA VAL A 81 7.642 -2.731 11.070 1.00 0.00 H new ATOM 0 HB VAL A 81 10.110 -1.084 11.751 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.509 0.326 9.792 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.916 -1.341 9.320 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.215 -0.822 9.375 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.495 0.817 12.023 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.144 -0.311 11.760 1.00 0.00 H new ATOM 0 HG23 VAL A 81 8.186 -0.489 13.192 1.00 0.00 H new ATOM 1260 N ARG A 82 9.191 -3.980 9.470 1.00 0.00 N ATOM 1261 CA ARG A 82 9.991 -4.855 8.598 1.00 0.00 C ATOM 1262 C ARG A 82 10.695 -4.016 7.518 1.00 0.00 C ATOM 1263 O ARG A 82 10.095 -3.101 6.939 1.00 0.00 O ATOM 1264 CB ARG A 82 9.111 -5.939 7.902 1.00 0.00 C ATOM 1265 CG ARG A 82 8.631 -7.118 8.785 1.00 0.00 C ATOM 1266 CD ARG A 82 7.560 -6.761 9.825 1.00 0.00 C ATOM 1267 NE ARG A 82 7.066 -7.974 10.507 1.00 0.00 N ATOM 1268 CZ ARG A 82 6.184 -8.008 11.508 1.00 0.00 C ATOM 1269 NH1 ARG A 82 5.663 -6.896 12.013 1.00 0.00 N ATOM 1270 NH2 ARG A 82 5.827 -9.178 12.009 1.00 0.00 N ATOM 0 H ARG A 82 8.305 -3.687 9.057 1.00 0.00 H new ATOM 0 HA ARG A 82 10.726 -5.358 9.226 1.00 0.00 H new ATOM 0 HB2 ARG A 82 8.233 -5.447 7.484 1.00 0.00 H new ATOM 0 HB3 ARG A 82 9.675 -6.349 7.064 1.00 0.00 H new ATOM 0 HG2 ARG A 82 8.238 -7.901 8.136 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.493 -7.537 9.304 1.00 0.00 H new ATOM 0 HD2 ARG A 82 7.975 -6.070 10.558 1.00 0.00 H new ATOM 0 HD3 ARG A 82 6.730 -6.249 9.338 1.00 0.00 H new ATOM 0 HE ARG A 82 7.433 -8.869 10.183 1.00 0.00 H new ATOM 0 HH11 ARG A 82 5.935 -5.988 11.636 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.991 -6.950 12.778 1.00 0.00 H new ATOM 0 HH21 ARG A 82 6.225 -10.038 11.630 1.00 0.00 H new ATOM 0 HH22 ARG A 82 5.154 -9.221 12.774 1.00 0.00 H new ATOM 1284 N ARG A 83 11.979 -4.313 7.277 1.00 0.00 N ATOM 1285 CA ARG A 83 12.687 -3.881 6.067 1.00 0.00 C ATOM 1286 C ARG A 83 12.459 -4.928 4.963 1.00 0.00 C ATOM 1287 O ARG A 83 12.437 -6.133 5.245 1.00 0.00 O ATOM 1288 CB ARG A 83 14.206 -3.721 6.351 1.00 0.00 C ATOM 1289 CG ARG A 83 14.943 -5.010 6.822 1.00 0.00 C ATOM 1290 CD ARG A 83 16.469 -4.817 6.932 1.00 0.00 C ATOM 1291 NE ARG A 83 16.819 -3.680 7.803 1.00 0.00 N ATOM 1292 CZ ARG A 83 18.052 -3.189 7.990 1.00 0.00 C ATOM 1293 NH1 ARG A 83 19.113 -3.776 7.454 1.00 0.00 N ATOM 1294 NH2 ARG A 83 18.214 -2.116 8.739 1.00 0.00 N ATOM 0 H ARG A 83 12.555 -4.860 7.917 1.00 0.00 H new ATOM 0 HA ARG A 83 12.302 -2.913 5.745 1.00 0.00 H new ATOM 0 HB2 ARG A 83 14.690 -3.358 5.445 1.00 0.00 H new ATOM 0 HB3 ARG A 83 14.336 -2.951 7.112 1.00 0.00 H new ATOM 0 HG2 ARG A 83 14.549 -5.315 7.791 1.00 0.00 H new ATOM 0 HG3 ARG A 83 14.733 -5.820 6.123 1.00 0.00 H new ATOM 0 HD2 ARG A 83 16.923 -5.727 7.324 1.00 0.00 H new ATOM 0 HD3 ARG A 83 16.887 -4.655 5.938 1.00 0.00 H new ATOM 0 HE ARG A 83 16.056 -3.228 8.307 1.00 0.00 H new ATOM 0 HH11 ARG A 83 18.999 -4.617 6.888 1.00 0.00 H new ATOM 0 HH12 ARG A 83 20.043 -3.387 7.608 1.00 0.00 H new ATOM 0 HH21 ARG A 83 17.405 -1.668 9.170 1.00 0.00 H new ATOM 0 HH22 ARG A 83 19.148 -1.734 8.888 1.00 0.00 H new ATOM 1308 N PHE A 84 12.228 -4.473 3.720 1.00 0.00 N ATOM 1309 CA PHE A 84 12.060 -5.350 2.543 1.00 0.00 C ATOM 1310 C PHE A 84 13.150 -5.025 1.508 1.00 0.00 C ATOM 1311 O PHE A 84 13.522 -3.870 1.355 1.00 0.00 O ATOM 1312 CB PHE A 84 10.646 -5.121 1.929 1.00 0.00 C ATOM 1313 CG PHE A 84 9.510 -5.162 2.957 1.00 0.00 C ATOM 1314 CD1 PHE A 84 8.884 -6.360 3.289 1.00 0.00 C ATOM 1315 CD2 PHE A 84 9.085 -3.995 3.609 1.00 0.00 C ATOM 1316 CE1 PHE A 84 7.868 -6.390 4.226 1.00 0.00 C ATOM 1317 CE2 PHE A 84 8.074 -4.036 4.550 1.00 0.00 C ATOM 1318 CZ PHE A 84 7.467 -5.233 4.856 1.00 0.00 C ATOM 0 H PHE A 84 12.152 -3.480 3.500 1.00 0.00 H new ATOM 0 HA PHE A 84 12.153 -6.395 2.840 1.00 0.00 H new ATOM 0 HB2 PHE A 84 10.632 -4.155 1.424 1.00 0.00 H new ATOM 0 HB3 PHE A 84 10.463 -5.881 1.169 1.00 0.00 H new ATOM 0 HD1 PHE A 84 9.195 -7.276 2.809 1.00 0.00 H new ATOM 0 HD2 PHE A 84 9.554 -3.052 3.372 1.00 0.00 H new ATOM 0 HE1 PHE A 84 7.386 -7.326 4.465 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.760 -3.129 5.045 1.00 0.00 H new ATOM 0 HZ PHE A 84 6.676 -5.265 5.591 1.00 0.00 H new ATOM 1328 N GLN A 85 13.669 -6.038 0.809 1.00 0.00 N ATOM 1329 CA GLN A 85 14.670 -5.834 -0.262 1.00 0.00 C ATOM 1330 C GLN A 85 13.969 -5.502 -1.600 1.00 0.00 C ATOM 1331 O GLN A 85 14.560 -4.887 -2.495 1.00 0.00 O ATOM 1332 CB GLN A 85 15.580 -7.089 -0.389 1.00 0.00 C ATOM 1333 CG GLN A 85 16.827 -6.890 -1.283 1.00 0.00 C ATOM 1334 CD GLN A 85 17.773 -8.098 -1.341 1.00 0.00 C ATOM 1335 OE1 GLN A 85 17.351 -9.245 -1.214 1.00 0.00 O ATOM 1336 NE2 GLN A 85 19.063 -7.849 -1.538 1.00 0.00 N ATOM 0 H GLN A 85 13.416 -7.015 0.960 1.00 0.00 H new ATOM 0 HA GLN A 85 15.303 -4.985 -0.003 1.00 0.00 H new ATOM 0 HB2 GLN A 85 15.907 -7.387 0.607 1.00 0.00 H new ATOM 0 HB3 GLN A 85 14.988 -7.912 -0.790 1.00 0.00 H new ATOM 0 HG2 GLN A 85 16.498 -6.654 -2.295 1.00 0.00 H new ATOM 0 HG3 GLN A 85 17.384 -6.026 -0.920 1.00 0.00 H new ATOM 0 HE21 GLN A 85 19.387 -6.887 -1.640 1.00 0.00 H new ATOM 0 HE22 GLN A 85 19.729 -8.620 -1.587 1.00 0.00 H new ATOM 1345 N THR A 86 12.691 -5.894 -1.711 1.00 0.00 N ATOM 1346 CA THR A 86 11.882 -5.710 -2.927 1.00 0.00 C ATOM 1347 C THR A 86 10.435 -5.340 -2.540 1.00 0.00 C ATOM 1348 O THR A 86 9.945 -5.756 -1.478 1.00 0.00 O ATOM 1349 CB THR A 86 11.914 -7.036 -3.775 1.00 0.00 C ATOM 1350 OG1 THR A 86 13.277 -7.402 -4.044 1.00 0.00 O ATOM 1351 CG2 THR A 86 11.151 -6.952 -5.107 1.00 0.00 C ATOM 0 H THR A 86 12.185 -6.352 -0.953 1.00 0.00 H new ATOM 0 HA THR A 86 12.293 -4.898 -3.528 1.00 0.00 H new ATOM 0 HB THR A 86 11.407 -7.789 -3.171 1.00 0.00 H new ATOM 0 HG1 THR A 86 13.296 -8.228 -4.571 1.00 0.00 H new ATOM 0 HG21 THR A 86 11.223 -7.907 -5.628 1.00 0.00 H new ATOM 0 HG22 THR A 86 10.103 -6.723 -4.912 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.585 -6.167 -5.726 1.00 0.00 H new ATOM 1359 N LEU A 87 9.757 -4.542 -3.398 1.00 0.00 N ATOM 1360 CA LEU A 87 8.338 -4.161 -3.215 1.00 0.00 C ATOM 1361 C LEU A 87 7.442 -5.425 -3.330 1.00 0.00 C ATOM 1362 O LEU A 87 6.378 -5.501 -2.717 1.00 0.00 O ATOM 1363 CB LEU A 87 7.937 -3.063 -4.273 1.00 0.00 C ATOM 1364 CG LEU A 87 6.956 -1.933 -3.814 1.00 0.00 C ATOM 1365 CD1 LEU A 87 5.556 -2.468 -3.485 1.00 0.00 C ATOM 1366 CD2 LEU A 87 7.550 -1.149 -2.630 1.00 0.00 C ATOM 0 H LEU A 87 10.179 -4.144 -4.237 1.00 0.00 H new ATOM 0 HA LEU A 87 8.193 -3.733 -2.223 1.00 0.00 H new ATOM 0 HB2 LEU A 87 8.852 -2.589 -4.627 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.489 -3.569 -5.128 1.00 0.00 H new ATOM 0 HG LEU A 87 6.834 -1.250 -4.654 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.916 -1.643 -3.172 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.131 -2.942 -4.369 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.626 -3.199 -2.679 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.854 -0.368 -2.325 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.723 -1.827 -1.795 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.495 -0.696 -2.931 1.00 0.00 H new ATOM 1378 N GLY A 88 7.893 -6.401 -4.149 1.00 0.00 N ATOM 1379 CA GLY A 88 7.292 -7.741 -4.203 1.00 0.00 C ATOM 1380 C GLY A 88 7.205 -8.426 -2.843 1.00 0.00 C ATOM 1381 O GLY A 88 6.180 -9.040 -2.508 1.00 0.00 O ATOM 0 H GLY A 88 8.680 -6.277 -4.786 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.291 -7.664 -4.627 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.877 -8.365 -4.878 1.00 0.00 H new ATOM 1385 N GLU A 89 8.279 -8.290 -2.054 1.00 0.00 N ATOM 1386 CA GLU A 89 8.366 -8.866 -0.701 1.00 0.00 C ATOM 1387 C GLU A 89 7.449 -8.107 0.273 1.00 0.00 C ATOM 1388 O GLU A 89 6.913 -8.704 1.214 1.00 0.00 O ATOM 1389 CB GLU A 89 9.834 -8.840 -0.203 1.00 0.00 C ATOM 1390 CG GLU A 89 10.847 -9.508 -1.166 1.00 0.00 C ATOM 1391 CD GLU A 89 10.488 -10.955 -1.539 1.00 0.00 C ATOM 1392 OE1 GLU A 89 10.576 -11.842 -0.667 1.00 0.00 O ATOM 1393 OE2 GLU A 89 10.099 -11.214 -2.701 1.00 0.00 O ATOM 0 H GLU A 89 9.115 -7.777 -2.334 1.00 0.00 H new ATOM 0 HA GLU A 89 8.031 -9.902 -0.742 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.132 -7.804 -0.042 1.00 0.00 H new ATOM 0 HB3 GLU A 89 9.886 -9.340 0.764 1.00 0.00 H new ATOM 0 HG2 GLU A 89 10.914 -8.914 -2.077 1.00 0.00 H new ATOM 0 HG3 GLU A 89 11.835 -9.496 -0.705 1.00 0.00 H new ATOM 1400 N LEU A 90 7.282 -6.788 0.030 1.00 0.00 N ATOM 1401 CA LEU A 90 6.360 -5.933 0.800 1.00 0.00 C ATOM 1402 C LEU A 90 4.919 -6.454 0.707 1.00 0.00 C ATOM 1403 O LEU A 90 4.302 -6.787 1.724 1.00 0.00 O ATOM 1404 CB LEU A 90 6.430 -4.461 0.299 1.00 0.00 C ATOM 1405 CG LEU A 90 5.342 -3.491 0.869 1.00 0.00 C ATOM 1406 CD1 LEU A 90 5.470 -3.340 2.385 1.00 0.00 C ATOM 1407 CD2 LEU A 90 5.375 -2.125 0.172 1.00 0.00 C ATOM 0 H LEU A 90 7.783 -6.290 -0.705 1.00 0.00 H new ATOM 0 HA LEU A 90 6.670 -5.964 1.845 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.412 -4.060 0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.352 -4.464 -0.788 1.00 0.00 H new ATOM 0 HG LEU A 90 4.371 -3.939 0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.700 -2.660 2.749 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.348 -4.314 2.859 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.454 -2.938 2.629 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.605 -1.481 0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.353 -1.666 0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.191 -2.256 -0.894 1.00 0.00 H new ATOM 1419 N ILE A 91 4.417 -6.524 -0.532 1.00 0.00 N ATOM 1420 CA ILE A 91 3.033 -6.928 -0.839 1.00 0.00 C ATOM 1421 C ILE A 91 2.765 -8.381 -0.381 1.00 0.00 C ATOM 1422 O ILE A 91 1.672 -8.697 0.105 1.00 0.00 O ATOM 1423 CB ILE A 91 2.756 -6.757 -2.375 1.00 0.00 C ATOM 1424 CG1 ILE A 91 3.006 -5.272 -2.816 1.00 0.00 C ATOM 1425 CG2 ILE A 91 1.334 -7.227 -2.768 1.00 0.00 C ATOM 1426 CD1 ILE A 91 2.175 -4.221 -2.093 1.00 0.00 C ATOM 0 H ILE A 91 4.965 -6.299 -1.362 1.00 0.00 H new ATOM 0 HA ILE A 91 2.349 -6.282 -0.289 1.00 0.00 H new ATOM 0 HB ILE A 91 3.457 -7.399 -2.908 1.00 0.00 H new ATOM 0 HG12 ILE A 91 4.061 -5.041 -2.667 1.00 0.00 H new ATOM 0 HG13 ILE A 91 2.810 -5.192 -3.885 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.189 -7.090 -3.839 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.217 -8.282 -2.518 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.594 -6.641 -2.223 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.427 -3.232 -2.475 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.116 -4.416 -2.261 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.386 -4.262 -1.024 1.00 0.00 H new ATOM 1438 N GLY A 92 3.797 -9.234 -0.542 1.00 0.00 N ATOM 1439 CA GLY A 92 3.770 -10.616 -0.063 1.00 0.00 C ATOM 1440 C GLY A 92 3.479 -10.732 1.440 1.00 0.00 C ATOM 1441 O GLY A 92 2.558 -11.458 1.848 1.00 0.00 O ATOM 0 H GLY A 92 4.667 -8.977 -1.008 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.012 -11.170 -0.617 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.730 -11.086 -0.278 1.00 0.00 H new ATOM 1445 N LEU A 93 4.249 -9.986 2.263 1.00 0.00 N ATOM 1446 CA LEU A 93 4.134 -10.030 3.734 1.00 0.00 C ATOM 1447 C LEU A 93 2.940 -9.204 4.250 1.00 0.00 C ATOM 1448 O LEU A 93 2.460 -9.444 5.350 1.00 0.00 O ATOM 1449 CB LEU A 93 5.462 -9.572 4.396 1.00 0.00 C ATOM 1450 CG LEU A 93 6.711 -10.476 4.105 1.00 0.00 C ATOM 1451 CD1 LEU A 93 7.958 -9.967 4.853 1.00 0.00 C ATOM 1452 CD2 LEU A 93 6.433 -11.965 4.437 1.00 0.00 C ATOM 0 H LEU A 93 4.963 -9.340 1.927 1.00 0.00 H new ATOM 0 HA LEU A 93 3.944 -11.065 4.017 1.00 0.00 H new ATOM 0 HB2 LEU A 93 5.683 -8.559 4.061 1.00 0.00 H new ATOM 0 HB3 LEU A 93 5.313 -9.526 5.475 1.00 0.00 H new ATOM 0 HG LEU A 93 6.911 -10.411 3.036 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.806 -10.615 4.630 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.185 -8.950 4.533 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.767 -9.975 5.926 1.00 0.00 H new ATOM 0 HD21 LEU A 93 7.322 -12.558 4.222 1.00 0.00 H new ATOM 0 HD22 LEU A 93 6.179 -12.061 5.493 1.00 0.00 H new ATOM 0 HD23 LEU A 93 5.602 -12.324 3.830 1.00 0.00 H new ATOM 1464 N TYR A 94 2.483 -8.223 3.464 1.00 0.00 N ATOM 1465 CA TYR A 94 1.288 -7.407 3.805 1.00 0.00 C ATOM 1466 C TYR A 94 -0.028 -8.102 3.401 1.00 0.00 C ATOM 1467 O TYR A 94 -1.104 -7.709 3.878 1.00 0.00 O ATOM 1468 CB TYR A 94 1.399 -5.985 3.178 1.00 0.00 C ATOM 1469 CG TYR A 94 2.229 -4.959 3.976 1.00 0.00 C ATOM 1470 CD1 TYR A 94 3.240 -5.346 4.865 1.00 0.00 C ATOM 1471 CD2 TYR A 94 1.985 -3.585 3.837 1.00 0.00 C ATOM 1472 CE1 TYR A 94 3.965 -4.406 5.578 1.00 0.00 C ATOM 1473 CE2 TYR A 94 2.711 -2.646 4.549 1.00 0.00 C ATOM 1474 CZ TYR A 94 3.698 -3.063 5.415 1.00 0.00 C ATOM 1475 OH TYR A 94 4.427 -2.130 6.114 1.00 0.00 O ATOM 0 H TYR A 94 2.919 -7.965 2.579 1.00 0.00 H new ATOM 0 HA TYR A 94 1.262 -7.302 4.890 1.00 0.00 H new ATOM 0 HB2 TYR A 94 1.835 -6.081 2.183 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.393 -5.587 3.048 1.00 0.00 H new ATOM 0 HD1 TYR A 94 3.458 -6.396 4.997 1.00 0.00 H new ATOM 0 HD2 TYR A 94 1.213 -3.252 3.159 1.00 0.00 H new ATOM 0 HE1 TYR A 94 4.739 -4.724 6.261 1.00 0.00 H new ATOM 0 HE2 TYR A 94 2.505 -1.593 4.426 1.00 0.00 H new ATOM 0 HH TYR A 94 4.113 -1.230 5.884 1.00 0.00 H new ATOM 1485 N ALA A 95 0.045 -9.098 2.500 1.00 0.00 N ATOM 1486 CA ALA A 95 -1.106 -9.975 2.188 1.00 0.00 C ATOM 1487 C ALA A 95 -1.431 -10.888 3.387 1.00 0.00 C ATOM 1488 O ALA A 95 -2.602 -11.188 3.654 1.00 0.00 O ATOM 1489 CB ALA A 95 -0.814 -10.805 0.930 1.00 0.00 C ATOM 0 H ALA A 95 0.889 -9.319 1.972 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.979 -9.352 1.993 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -1.668 -11.446 0.711 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.635 -10.137 0.087 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.069 -11.422 1.098 1.00 0.00 H new ATOM 1495 N GLN A 96 -0.370 -11.308 4.100 1.00 0.00 N ATOM 1496 CA GLN A 96 -0.462 -12.109 5.348 1.00 0.00 C ATOM 1497 C GLN A 96 0.357 -11.395 6.456 1.00 0.00 C ATOM 1498 O GLN A 96 1.494 -11.790 6.742 1.00 0.00 O ATOM 1499 CB GLN A 96 0.067 -13.556 5.107 1.00 0.00 C ATOM 1500 CG GLN A 96 -0.709 -14.391 4.066 1.00 0.00 C ATOM 1501 CD GLN A 96 -2.143 -14.724 4.494 1.00 0.00 C ATOM 1502 OE1 GLN A 96 -3.087 -13.986 4.199 1.00 0.00 O ATOM 1503 NE2 GLN A 96 -2.316 -15.829 5.206 1.00 0.00 N ATOM 0 H GLN A 96 0.591 -11.101 3.827 1.00 0.00 H new ATOM 0 HA GLN A 96 -1.503 -12.189 5.662 1.00 0.00 H new ATOM 0 HB2 GLN A 96 1.108 -13.494 4.791 1.00 0.00 H new ATOM 0 HB3 GLN A 96 0.053 -14.090 6.057 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -0.737 -13.845 3.123 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -0.169 -15.319 3.881 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -1.516 -16.419 5.434 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -3.249 -16.089 5.526 1.00 0.00 H new ATOM 1512 N PRO A 97 -0.184 -10.284 7.058 1.00 0.00 N ATOM 1513 CA PRO A 97 0.578 -9.397 7.961 1.00 0.00 C ATOM 1514 C PRO A 97 0.469 -9.764 9.460 1.00 0.00 C ATOM 1515 O PRO A 97 1.471 -10.174 10.069 1.00 0.00 O ATOM 1516 CB PRO A 97 -0.032 -8.011 7.637 1.00 0.00 C ATOM 1517 CG PRO A 97 -1.441 -8.291 7.151 1.00 0.00 C ATOM 1518 CD PRO A 97 -1.562 -9.794 6.904 1.00 0.00 C ATOM 0 HA PRO A 97 1.654 -9.460 7.798 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -0.041 -7.371 8.519 1.00 0.00 H new ATOM 0 HB3 PRO A 97 0.551 -7.495 6.874 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -2.172 -7.966 7.892 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -1.646 -7.736 6.236 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -2.237 -10.264 7.619 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -1.954 -10.006 5.909 1.00 0.00 H new ATOM 1526 N ASN A 98 -0.751 -9.622 10.037 1.00 0.00 N ATOM 1527 CA ASN A 98 -1.028 -9.794 11.475 1.00 0.00 C ATOM 1528 C ASN A 98 -0.204 -8.807 12.325 1.00 0.00 C ATOM 1529 O ASN A 98 0.494 -9.227 13.250 1.00 0.00 O ATOM 1530 CB ASN A 98 -0.838 -11.275 11.924 1.00 0.00 C ATOM 1531 CG ASN A 98 -1.801 -12.250 11.234 1.00 0.00 C ATOM 1532 OD1 ASN A 98 -2.918 -11.891 10.857 1.00 0.00 O ATOM 1533 ND2 ASN A 98 -1.388 -13.499 11.090 1.00 0.00 N ATOM 0 H ASN A 98 -1.583 -9.380 9.499 1.00 0.00 H new ATOM 0 HA ASN A 98 -2.078 -9.554 11.644 1.00 0.00 H new ATOM 0 HB2 ASN A 98 0.187 -11.581 11.716 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -0.978 -11.340 13.003 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -1.999 -14.192 10.658 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -0.458 -13.769 11.411 1.00 0.00 H new ATOM 1540 N GLN A 99 -0.369 -7.490 12.000 1.00 0.00 N ATOM 1541 CA GLN A 99 0.339 -6.319 12.614 1.00 0.00 C ATOM 1542 C GLN A 99 0.248 -5.103 11.670 1.00 0.00 C ATOM 1543 O GLN A 99 0.985 -5.039 10.680 1.00 0.00 O ATOM 1544 CB GLN A 99 1.847 -6.596 13.009 1.00 0.00 C ATOM 1545 CG GLN A 99 2.044 -6.987 14.499 1.00 0.00 C ATOM 1546 CD GLN A 99 3.417 -7.562 14.835 1.00 0.00 C ATOM 1547 OE1 GLN A 99 4.067 -8.178 14.000 1.00 0.00 O ATOM 1548 NE2 GLN A 99 3.852 -7.393 16.073 1.00 0.00 N ATOM 0 H GLN A 99 -1.025 -7.201 11.274 1.00 0.00 H new ATOM 0 HA GLN A 99 -0.174 -6.115 13.554 1.00 0.00 H new ATOM 0 HB2 GLN A 99 2.237 -7.395 12.379 1.00 0.00 H new ATOM 0 HB3 GLN A 99 2.438 -5.705 12.796 1.00 0.00 H new ATOM 0 HG2 GLN A 99 1.874 -6.105 15.117 1.00 0.00 H new ATOM 0 HG3 GLN A 99 1.283 -7.718 14.772 1.00 0.00 H new ATOM 0 HE21 GLN A 99 3.287 -6.875 16.746 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.752 -7.781 16.355 1.00 0.00 H new ATOM 1557 N GLY A 100 -0.717 -4.187 11.927 1.00 0.00 N ATOM 1558 CA GLY A 100 -0.705 -2.835 11.330 1.00 0.00 C ATOM 1559 C GLY A 100 -1.710 -2.655 10.194 1.00 0.00 C ATOM 1560 O GLY A 100 -2.313 -1.582 10.051 1.00 0.00 O ATOM 0 H GLY A 100 -1.511 -4.362 12.543 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.916 -2.102 12.109 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.296 -2.622 10.954 1.00 0.00 H new ATOM 1564 N LEU A 101 -1.882 -3.710 9.379 1.00 0.00 N ATOM 1565 CA LEU A 101 -2.768 -3.673 8.195 1.00 0.00 C ATOM 1566 C LEU A 101 -4.250 -3.775 8.615 1.00 0.00 C ATOM 1567 O LEU A 101 -4.661 -4.739 9.266 1.00 0.00 O ATOM 1568 CB LEU A 101 -2.390 -4.779 7.163 1.00 0.00 C ATOM 1569 CG LEU A 101 -1.215 -4.449 6.182 1.00 0.00 C ATOM 1570 CD1 LEU A 101 -1.584 -3.283 5.234 1.00 0.00 C ATOM 1571 CD2 LEU A 101 0.098 -4.166 6.943 1.00 0.00 C ATOM 0 H LEU A 101 -1.417 -4.607 9.518 1.00 0.00 H new ATOM 0 HA LEU A 101 -2.625 -2.711 7.702 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -2.131 -5.684 7.713 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -3.275 -5.009 6.570 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.047 -5.332 5.566 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -0.747 -3.079 4.566 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.460 -3.556 4.646 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.805 -2.392 5.822 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.891 -3.941 6.230 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.044 -3.315 7.609 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.375 -5.042 7.529 1.00 0.00 H new ATOM 1583 N VAL A 102 -5.008 -2.748 8.204 1.00 0.00 N ATOM 1584 CA VAL A 102 -6.435 -2.547 8.534 1.00 0.00 C ATOM 1585 C VAL A 102 -7.340 -3.770 8.218 1.00 0.00 C ATOM 1586 O VAL A 102 -8.335 -4.002 8.918 1.00 0.00 O ATOM 1587 CB VAL A 102 -6.977 -1.263 7.807 1.00 0.00 C ATOM 1588 CG1 VAL A 102 -6.281 0.013 8.351 1.00 0.00 C ATOM 1589 CG2 VAL A 102 -6.805 -1.378 6.260 1.00 0.00 C ATOM 0 H VAL A 102 -4.635 -2.006 7.612 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.481 -2.418 9.615 1.00 0.00 H new ATOM 0 HB VAL A 102 -8.043 -1.182 8.017 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -6.672 0.889 7.834 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -6.475 0.106 9.420 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.206 -0.059 8.183 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.188 -0.476 5.783 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -5.748 -1.495 6.019 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -7.358 -2.244 5.896 1.00 0.00 H new ATOM 1599 N CYS A 103 -6.994 -4.530 7.161 1.00 0.00 N ATOM 1600 CA CYS A 103 -7.721 -5.762 6.778 1.00 0.00 C ATOM 1601 C CYS A 103 -6.801 -6.739 6.021 1.00 0.00 C ATOM 1602 O CYS A 103 -7.263 -7.801 5.591 1.00 0.00 O ATOM 1603 CB CYS A 103 -8.944 -5.408 5.896 1.00 0.00 C ATOM 1604 SG CYS A 103 -10.055 -6.796 5.554 1.00 0.00 S ATOM 0 H CYS A 103 -6.207 -4.311 6.550 1.00 0.00 H new ATOM 0 HA CYS A 103 -8.061 -6.248 7.692 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -9.512 -4.617 6.386 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -8.587 -5.004 4.949 1.00 0.00 H new ATOM 0 HG CYS A 103 -11.284 -6.373 5.531 1.00 0.00 H new ATOM 1610 N ALA A 104 -5.501 -6.362 5.893 1.00 0.00 N ATOM 1611 CA ALA A 104 -4.511 -7.012 4.993 1.00 0.00 C ATOM 1612 C ALA A 104 -4.749 -6.594 3.532 1.00 0.00 C ATOM 1613 O ALA A 104 -5.675 -5.822 3.229 1.00 0.00 O ATOM 1614 CB ALA A 104 -4.470 -8.549 5.142 1.00 0.00 C ATOM 0 H ALA A 104 -5.105 -5.585 6.421 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.527 -6.657 5.301 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -3.728 -8.961 4.458 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -4.203 -8.808 6.166 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -5.450 -8.964 4.907 1.00 0.00 H new ATOM 1620 N LEU A 105 -3.878 -7.078 2.635 1.00 0.00 N ATOM 1621 CA LEU A 105 -3.985 -6.817 1.198 1.00 0.00 C ATOM 1622 C LEU A 105 -4.778 -7.956 0.531 1.00 0.00 C ATOM 1623 O LEU A 105 -4.253 -9.064 0.353 1.00 0.00 O ATOM 1624 CB LEU A 105 -2.571 -6.664 0.578 1.00 0.00 C ATOM 1625 CG LEU A 105 -1.683 -5.504 1.146 1.00 0.00 C ATOM 1626 CD1 LEU A 105 -0.438 -5.277 0.263 1.00 0.00 C ATOM 1627 CD2 LEU A 105 -2.478 -4.187 1.346 1.00 0.00 C ATOM 0 H LEU A 105 -3.080 -7.661 2.888 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.520 -5.883 1.029 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.035 -7.603 0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.683 -6.514 -0.496 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.349 -5.818 2.135 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.161 -4.467 0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.157 -6.189 0.232 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.752 -5.014 -0.747 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.814 -3.418 1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.885 -3.859 0.390 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.294 -4.358 2.048 1.00 0.00 H new ATOM 1639 N LEU A 106 -6.059 -7.676 0.207 1.00 0.00 N ATOM 1640 CA LEU A 106 -6.993 -8.669 -0.370 1.00 0.00 C ATOM 1641 C LEU A 106 -6.794 -8.796 -1.887 1.00 0.00 C ATOM 1642 O LEU A 106 -6.565 -9.902 -2.389 1.00 0.00 O ATOM 1643 CB LEU A 106 -8.481 -8.314 -0.029 1.00 0.00 C ATOM 1644 CG LEU A 106 -8.998 -8.763 1.379 1.00 0.00 C ATOM 1645 CD1 LEU A 106 -8.175 -8.144 2.531 1.00 0.00 C ATOM 1646 CD2 LEU A 106 -10.506 -8.448 1.545 1.00 0.00 C ATOM 0 H LEU A 106 -6.476 -6.754 0.338 1.00 0.00 H new ATOM 0 HA LEU A 106 -6.769 -9.635 0.082 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.601 -7.234 -0.109 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -9.122 -8.763 -0.788 1.00 0.00 H new ATOM 0 HG LEU A 106 -8.864 -9.843 1.436 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -8.573 -8.486 3.487 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -7.133 -8.452 2.440 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -8.238 -7.057 2.480 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -10.839 -8.770 2.532 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -10.667 -7.375 1.440 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -11.075 -8.977 0.780 1.00 0.00 H new ATOM 1658 N LEU A 107 -6.845 -7.660 -2.609 1.00 0.00 N ATOM 1659 CA LEU A 107 -6.760 -7.661 -4.090 1.00 0.00 C ATOM 1660 C LEU A 107 -6.230 -6.302 -4.623 1.00 0.00 C ATOM 1661 O LEU A 107 -6.605 -5.241 -4.100 1.00 0.00 O ATOM 1662 CB LEU A 107 -8.139 -8.085 -4.740 1.00 0.00 C ATOM 1663 CG LEU A 107 -9.372 -7.092 -4.752 1.00 0.00 C ATOM 1664 CD1 LEU A 107 -9.599 -6.387 -3.402 1.00 0.00 C ATOM 1665 CD2 LEU A 107 -9.311 -6.088 -5.930 1.00 0.00 C ATOM 0 H LEU A 107 -6.944 -6.732 -2.197 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.032 -8.414 -4.393 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.935 -8.353 -5.776 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -8.465 -8.994 -4.234 1.00 0.00 H new ATOM 0 HG LEU A 107 -10.249 -7.718 -4.914 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -10.459 -5.721 -3.479 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -9.786 -7.133 -2.629 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -8.714 -5.807 -3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.179 -5.430 -5.893 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -8.401 -5.493 -5.854 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -9.310 -6.634 -6.874 1.00 0.00 H new ATOM 1677 N PRO A 108 -5.302 -6.306 -5.636 1.00 0.00 N ATOM 1678 CA PRO A 108 -4.874 -5.068 -6.321 1.00 0.00 C ATOM 1679 C PRO A 108 -5.911 -4.602 -7.371 1.00 0.00 C ATOM 1680 O PRO A 108 -6.462 -5.421 -8.123 1.00 0.00 O ATOM 1681 CB PRO A 108 -3.532 -5.477 -6.965 1.00 0.00 C ATOM 1682 CG PRO A 108 -3.683 -6.940 -7.259 1.00 0.00 C ATOM 1683 CD PRO A 108 -4.565 -7.497 -6.157 1.00 0.00 C ATOM 0 HA PRO A 108 -4.778 -4.216 -5.648 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -3.339 -4.908 -7.874 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -2.696 -5.293 -6.290 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -4.135 -7.097 -8.238 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -2.713 -7.438 -7.272 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -5.251 -8.253 -6.540 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -3.972 -7.971 -5.375 1.00 0.00 H new ATOM 1691 N VAL A 109 -6.176 -3.282 -7.401 1.00 0.00 N ATOM 1692 CA VAL A 109 -7.145 -2.663 -8.323 1.00 0.00 C ATOM 1693 C VAL A 109 -6.366 -1.983 -9.474 1.00 0.00 C ATOM 1694 O VAL A 109 -6.330 -2.536 -10.588 1.00 0.00 O ATOM 1695 CB VAL A 109 -8.051 -1.613 -7.569 1.00 0.00 C ATOM 1696 CG1 VAL A 109 -9.109 -0.981 -8.501 1.00 0.00 C ATOM 1697 CG2 VAL A 109 -8.721 -2.257 -6.338 1.00 0.00 C ATOM 1698 OXT VAL A 109 -5.727 -0.928 -9.234 1.00 0.00 O ATOM 0 H VAL A 109 -5.720 -2.612 -6.782 1.00 0.00 H new ATOM 0 HA VAL A 109 -7.804 -3.432 -8.726 1.00 0.00 H new ATOM 0 HB VAL A 109 -7.399 -0.807 -7.231 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -9.709 -0.265 -7.938 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -8.610 -0.469 -9.324 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -9.756 -1.762 -8.899 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -9.341 -1.517 -5.832 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -9.343 -3.093 -6.658 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -7.954 -2.617 -5.653 1.00 0.00 H new