USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 628 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 61 SER OG : rot 160:sc= -1.47 USER MOD Set 1.2: A 90 ASN : amide:sc= -0.109 K(o=-1.6,f=-4!) USER MOD Set 2.1: A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 56 ASN : amide:sc= -1.93 K(o=-1.9,f=-3.7!) USER MOD Set 3.1: A 29 ASN : amide:sc= 0 X(o=-0.0026,f=-0.17) USER MOD Set 3.2: A 49 LYS NZ :NH3+ -167:sc= -0.0026 (180deg=-0.0639) USER MOD Single : A 12 SER OG : rot 180:sc= -0.714 USER MOD Single : A 13 ASN : amide:sc= -1.07 X(o=-1.1,f=-0.6) USER MOD Single : A 14 MET CE :methyl -143:sc= -0.338 (180deg=-1.18) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc=-0.00316 (180deg=-0.00316) USER MOD Single : A 17 TYR OH : rot 180:sc= -0.0517 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc=-0.00839 X(o=-0.0084,f=0) USER MOD Single : A 41 ASN :FLIP amide:sc= -2.77! C(o=-4.2!,f=-2.8!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 40:sc= 1.23 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.548 X(o=-0.55,f=-0.075) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 67 ASN : amide:sc= -0.0135 X(o=-0.013,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -92:sc= 0.0725 USER MOD Single : A 75 TYR OH : rot 180:sc= -0.0204 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.363 K(o=-0.36,f=-7.4!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0.106 X(o=0.11,f=0) USER MOD Single : A 88 MET CE :methyl -140:sc= -1.31 (180deg=-3.32!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 154 N LEU A 11 -8.564 -10.842 -2.820 1.00 0.00 N ATOM 155 CA LEU A 11 -7.391 -10.579 -1.991 1.00 0.00 C ATOM 156 C LEU A 11 -7.739 -10.684 -0.508 1.00 0.00 C ATOM 157 O LEU A 11 -7.507 -11.723 0.110 1.00 0.00 O ATOM 158 CB LEU A 11 -6.778 -9.206 -2.308 1.00 0.00 C ATOM 159 CG LEU A 11 -7.746 -8.150 -2.854 1.00 0.00 C ATOM 160 CD1 LEU A 11 -7.493 -6.807 -2.187 1.00 0.00 C ATOM 161 CD2 LEU A 11 -7.609 -8.035 -4.366 1.00 0.00 C ATOM 0 HA LEU A 11 -6.645 -11.339 -2.224 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.320 -8.816 -1.399 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.977 -9.346 -3.034 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.766 -8.460 -2.626 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.187 -6.067 -2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.640 -6.902 -1.111 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.470 -6.489 -2.387 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.303 -7.281 -4.738 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.589 -7.745 -4.618 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.837 -8.996 -4.826 1.00 0.00 H new ATOM 173 N SER A 12 -8.304 -9.611 0.052 1.00 0.00 N ATOM 174 CA SER A 12 -8.701 -9.584 1.465 1.00 0.00 C ATOM 175 C SER A 12 -7.633 -10.198 2.378 1.00 0.00 C ATOM 176 O SER A 12 -7.692 -11.387 2.706 1.00 0.00 O ATOM 177 CB SER A 12 -10.033 -10.325 1.654 1.00 0.00 C ATOM 178 OG SER A 12 -10.738 -10.449 0.428 1.00 0.00 O ATOM 0 H SER A 12 -8.498 -8.746 -0.453 1.00 0.00 H new ATOM 0 HA SER A 12 -8.817 -8.538 1.748 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.844 -11.315 2.068 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.649 -9.790 2.377 1.00 0.00 H new ATOM 0 HG SER A 12 -11.580 -10.926 0.582 1.00 0.00 H new ATOM 184 N ASN A 13 -6.659 -9.385 2.797 1.00 0.00 N ATOM 185 CA ASN A 13 -5.593 -9.859 3.681 1.00 0.00 C ATOM 186 C ASN A 13 -5.231 -8.810 4.739 1.00 0.00 C ATOM 187 O ASN A 13 -5.630 -8.933 5.899 1.00 0.00 O ATOM 188 CB ASN A 13 -4.351 -10.251 2.867 1.00 0.00 C ATOM 189 CG ASN A 13 -3.830 -11.630 3.234 1.00 0.00 C ATOM 190 OD1 ASN A 13 -2.861 -11.760 3.981 1.00 0.00 O ATOM 191 ND2 ASN A 13 -4.472 -12.670 2.711 1.00 0.00 N ATOM 0 H ASN A 13 -6.587 -8.401 2.539 1.00 0.00 H new ATOM 0 HA ASN A 13 -5.964 -10.742 4.202 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.594 -10.228 1.805 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.565 -9.513 3.030 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.165 -13.619 2.925 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -5.271 -12.519 2.096 1.00 0.00 H new ATOM 198 N MET A 14 -4.475 -7.784 4.337 1.00 0.00 N ATOM 199 CA MET A 14 -4.059 -6.722 5.258 1.00 0.00 C ATOM 200 C MET A 14 -3.348 -5.597 4.505 1.00 0.00 C ATOM 201 O MET A 14 -2.572 -5.851 3.585 1.00 0.00 O ATOM 202 CB MET A 14 -3.136 -7.289 6.340 1.00 0.00 C ATOM 203 CG MET A 14 -3.539 -6.895 7.753 1.00 0.00 C ATOM 204 SD MET A 14 -2.615 -7.790 9.018 1.00 0.00 S ATOM 205 CE MET A 14 -3.057 -9.483 8.631 1.00 0.00 C ATOM 0 H MET A 14 -4.139 -7.666 3.381 1.00 0.00 H new ATOM 0 HA MET A 14 -4.952 -6.313 5.730 1.00 0.00 H new ATOM 0 HB2 MET A 14 -3.126 -8.376 6.264 1.00 0.00 H new ATOM 0 HB3 MET A 14 -2.118 -6.947 6.153 1.00 0.00 H new ATOM 0 HG2 MET A 14 -3.384 -5.824 7.885 1.00 0.00 H new ATOM 0 HG3 MET A 14 -4.604 -7.081 7.887 1.00 0.00 H new ATOM 0 HE1 MET A 14 -3.164 -10.051 9.555 1.00 0.00 H new ATOM 0 HE2 MET A 14 -4.000 -9.497 8.085 1.00 0.00 H new ATOM 0 HE3 MET A 14 -2.276 -9.932 8.017 1.00 0.00 H new ATOM 215 N LYS A 15 -3.619 -4.352 4.902 1.00 0.00 N ATOM 216 CA LYS A 15 -3.006 -3.190 4.264 1.00 0.00 C ATOM 217 C LYS A 15 -2.773 -2.073 5.279 1.00 0.00 C ATOM 218 O LYS A 15 -3.464 -1.984 6.293 1.00 0.00 O ATOM 219 CB LYS A 15 -3.887 -2.684 3.120 1.00 0.00 C ATOM 220 CG LYS A 15 -3.107 -1.992 2.010 1.00 0.00 C ATOM 221 CD LYS A 15 -3.559 -2.455 0.634 1.00 0.00 C ATOM 222 CE LYS A 15 -5.015 -2.102 0.369 1.00 0.00 C ATOM 223 NZ LYS A 15 -5.160 -0.775 -0.295 1.00 0.00 N ATOM 0 H LYS A 15 -4.259 -4.125 5.663 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.041 -3.495 3.859 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.437 -3.525 2.697 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.625 -1.990 3.521 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.237 -0.913 2.092 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.043 -2.195 2.131 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.929 -1.997 -0.129 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.426 -3.534 0.552 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.465 -2.871 -0.258 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.563 -2.097 1.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.168 -0.576 -0.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.754 -0.036 0.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.659 -0.786 -1.206 1.00 0.00 H new ATOM 237 N PHE A 16 -1.788 -1.227 5.005 1.00 0.00 N ATOM 238 CA PHE A 16 -1.455 -0.121 5.896 1.00 0.00 C ATOM 239 C PHE A 16 -0.705 0.960 5.121 1.00 0.00 C ATOM 240 O PHE A 16 0.269 0.665 4.434 1.00 0.00 O ATOM 241 CB PHE A 16 -0.625 -0.647 7.070 1.00 0.00 C ATOM 242 CG PHE A 16 -0.234 0.394 8.086 1.00 0.00 C ATOM 243 CD1 PHE A 16 -1.176 1.278 8.592 1.00 0.00 C ATOM 244 CD2 PHE A 16 1.070 0.478 8.546 1.00 0.00 C ATOM 245 CE1 PHE A 16 -0.823 2.222 9.538 1.00 0.00 C ATOM 246 CE2 PHE A 16 1.429 1.422 9.490 1.00 0.00 C ATOM 247 CZ PHE A 16 0.481 2.295 9.987 1.00 0.00 C ATOM 0 H PHE A 16 -1.204 -1.285 4.171 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.367 0.325 6.294 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.191 -1.431 7.574 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.281 -1.109 6.678 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.197 1.228 8.243 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.816 -0.203 8.162 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.567 2.902 9.926 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.450 1.477 9.839 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.759 3.033 10.725 1.00 0.00 H new ATOM 257 N TYR A 17 -1.173 2.205 5.208 1.00 0.00 N ATOM 258 CA TYR A 17 -0.537 3.302 4.479 1.00 0.00 C ATOM 259 C TYR A 17 -0.037 4.392 5.425 1.00 0.00 C ATOM 260 O TYR A 17 -0.773 5.316 5.774 1.00 0.00 O ATOM 261 CB TYR A 17 -1.523 3.880 3.461 1.00 0.00 C ATOM 262 CG TYR A 17 -1.422 3.249 2.087 1.00 0.00 C ATOM 263 CD1 TYR A 17 -1.415 1.866 1.937 1.00 0.00 C ATOM 264 CD2 TYR A 17 -1.330 4.031 0.945 1.00 0.00 C ATOM 265 CE1 TYR A 17 -1.319 1.284 0.689 1.00 0.00 C ATOM 266 CE2 TYR A 17 -1.234 3.457 -0.309 1.00 0.00 C ATOM 267 CZ TYR A 17 -1.228 2.084 -0.431 1.00 0.00 C ATOM 268 OH TYR A 17 -1.130 1.509 -1.678 1.00 0.00 O ATOM 0 H TYR A 17 -1.980 2.477 5.769 1.00 0.00 H new ATOM 0 HA TYR A 17 0.333 2.907 3.955 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.538 3.749 3.837 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.352 4.953 3.372 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.486 1.237 2.812 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.333 5.107 1.037 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.315 0.209 0.590 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.164 4.081 -1.188 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.075 2.212 -2.359 1.00 0.00 H new ATOM 278 N LEU A 18 1.232 4.281 5.823 1.00 0.00 N ATOM 279 CA LEU A 18 1.853 5.254 6.718 1.00 0.00 C ATOM 280 C LEU A 18 3.284 5.557 6.269 1.00 0.00 C ATOM 281 O LEU A 18 4.227 4.896 6.696 1.00 0.00 O ATOM 282 CB LEU A 18 1.855 4.729 8.162 1.00 0.00 C ATOM 283 CG LEU A 18 0.980 5.511 9.150 1.00 0.00 C ATOM 284 CD1 LEU A 18 1.472 6.943 9.292 1.00 0.00 C ATOM 285 CD2 LEU A 18 -0.479 5.485 8.717 1.00 0.00 C ATOM 0 H LEU A 18 1.851 3.522 5.537 1.00 0.00 H new ATOM 0 HA LEU A 18 1.271 6.175 6.680 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.524 3.691 8.153 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.881 4.733 8.530 1.00 0.00 H new ATOM 0 HG LEU A 18 1.055 5.027 10.124 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.836 7.478 9.997 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.499 6.940 9.659 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.434 7.439 8.322 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.081 6.046 9.432 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.574 5.937 7.730 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.829 4.453 8.678 1.00 0.00 H new ATOM 297 N ASN A 19 3.436 6.557 5.401 1.00 0.00 N ATOM 298 CA ASN A 19 4.755 6.939 4.890 1.00 0.00 C ATOM 299 C ASN A 19 5.680 7.383 6.024 1.00 0.00 C ATOM 300 O ASN A 19 5.229 7.963 7.013 1.00 0.00 O ATOM 301 CB ASN A 19 4.628 8.065 3.857 1.00 0.00 C ATOM 302 CG ASN A 19 4.130 7.571 2.510 1.00 0.00 C ATOM 303 OD1 ASN A 19 4.921 7.219 1.635 1.00 0.00 O ATOM 304 ND2 ASN A 19 2.813 7.549 2.329 1.00 0.00 N ATOM 0 H ASN A 19 2.665 7.117 5.037 1.00 0.00 H new ATOM 0 HA ASN A 19 5.189 6.061 4.411 1.00 0.00 H new ATOM 0 HB2 ASN A 19 3.945 8.825 4.236 1.00 0.00 H new ATOM 0 HB3 ASN A 19 5.598 8.545 3.727 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.426 7.232 1.440 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.190 7.849 3.079 1.00 0.00 H new ATOM 311 N ARG A 20 6.979 7.109 5.872 1.00 0.00 N ATOM 312 CA ARG A 20 7.968 7.484 6.883 1.00 0.00 C ATOM 313 C ARG A 20 8.539 8.873 6.594 1.00 0.00 C ATOM 314 O ARG A 20 8.160 9.853 7.236 1.00 0.00 O ATOM 315 CB ARG A 20 9.099 6.444 6.953 1.00 0.00 C ATOM 316 CG ARG A 20 10.204 6.805 7.941 1.00 0.00 C ATOM 317 CD ARG A 20 10.774 5.566 8.620 1.00 0.00 C ATOM 318 NE ARG A 20 12.193 5.720 8.952 1.00 0.00 N ATOM 319 CZ ARG A 20 12.834 4.981 9.863 1.00 0.00 C ATOM 320 NH1 ARG A 20 12.188 4.044 10.552 1.00 0.00 N ATOM 321 NH2 ARG A 20 14.128 5.182 10.089 1.00 0.00 N ATOM 0 H ARG A 20 7.368 6.630 5.060 1.00 0.00 H new ATOM 0 HA ARG A 20 7.466 7.512 7.850 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.676 5.479 7.231 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.535 6.327 5.961 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.001 7.334 7.419 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.810 7.486 8.696 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.210 5.361 9.530 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.647 4.704 7.965 1.00 0.00 H new ATOM 0 HE ARG A 20 12.725 6.436 8.457 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.194 3.884 10.387 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.687 3.486 11.245 1.00 0.00 H new ATOM 0 HH21 ARG A 20 14.631 5.900 9.568 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.618 4.619 10.784 1.00 0.00 H new ATOM 397 N ASP A 26 5.510 8.540 -4.584 1.00 0.00 N ATOM 398 CA ASP A 26 4.555 8.694 -5.679 1.00 0.00 C ATOM 399 C ASP A 26 3.393 9.604 -5.275 1.00 0.00 C ATOM 400 O ASP A 26 3.241 10.702 -5.813 1.00 0.00 O ATOM 401 CB ASP A 26 4.028 7.326 -6.123 1.00 0.00 C ATOM 402 CG ASP A 26 3.122 7.418 -7.336 1.00 0.00 C ATOM 403 OD1 ASP A 26 3.641 7.648 -8.449 1.00 0.00 O ATOM 404 OD2 ASP A 26 1.895 7.257 -7.172 1.00 0.00 O ATOM 0 HA ASP A 26 5.075 9.161 -6.516 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.870 6.673 -6.351 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.482 6.866 -5.300 1.00 0.00 H new ATOM 409 N SER A 27 2.577 9.139 -4.328 1.00 0.00 N ATOM 410 CA SER A 27 1.429 9.911 -3.853 1.00 0.00 C ATOM 411 C SER A 27 1.237 9.738 -2.348 1.00 0.00 C ATOM 412 O SER A 27 1.922 8.936 -1.711 1.00 0.00 O ATOM 413 CB SER A 27 0.157 9.484 -4.594 1.00 0.00 C ATOM 414 OG SER A 27 -0.094 10.323 -5.708 1.00 0.00 O ATOM 0 H SER A 27 2.690 8.232 -3.875 1.00 0.00 H new ATOM 0 HA SER A 27 1.624 10.964 -4.056 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.257 8.451 -4.929 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.693 9.517 -3.912 1.00 0.00 H new ATOM 0 HG SER A 27 -0.910 10.027 -6.163 1.00 0.00 H new ATOM 420 N LEU A 28 0.297 10.497 -1.783 1.00 0.00 N ATOM 421 CA LEU A 28 0.013 10.427 -0.351 1.00 0.00 C ATOM 422 C LEU A 28 -1.491 10.431 -0.089 1.00 0.00 C ATOM 423 O LEU A 28 -2.021 9.512 0.535 1.00 0.00 O ATOM 424 CB LEU A 28 0.675 11.596 0.385 1.00 0.00 C ATOM 425 CG LEU A 28 2.192 11.701 0.207 1.00 0.00 C ATOM 426 CD1 LEU A 28 2.534 12.606 -0.968 1.00 0.00 C ATOM 427 CD2 LEU A 28 2.843 12.212 1.485 1.00 0.00 C ATOM 0 H LEU A 28 -0.279 11.166 -2.295 1.00 0.00 H new ATOM 0 HA LEU A 28 0.426 9.491 0.026 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.220 12.525 0.042 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.455 11.506 1.449 1.00 0.00 H new ATOM 0 HG LEU A 28 2.583 10.706 -0.005 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.617 12.667 -1.077 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.100 12.197 -1.880 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.131 13.603 -0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.921 12.281 1.342 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.445 13.198 1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.629 11.524 2.303 1.00 0.00 H new ATOM 439 N ASN A 29 -2.173 11.468 -0.567 1.00 0.00 N ATOM 440 CA ASN A 29 -3.618 11.585 -0.391 1.00 0.00 C ATOM 441 C ASN A 29 -4.365 10.918 -1.544 1.00 0.00 C ATOM 442 O ASN A 29 -5.446 10.359 -1.351 1.00 0.00 O ATOM 443 CB ASN A 29 -4.030 13.054 -0.276 1.00 0.00 C ATOM 444 CG ASN A 29 -3.810 13.607 1.120 1.00 0.00 C ATOM 445 OD1 ASN A 29 -2.811 14.277 1.383 1.00 0.00 O ATOM 446 ND2 ASN A 29 -4.742 13.324 2.024 1.00 0.00 N ATOM 0 H ASN A 29 -1.748 12.240 -1.080 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.885 11.073 0.533 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.460 13.646 -0.993 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -5.082 13.156 -0.543 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -4.645 13.666 2.980 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -5.554 12.765 1.762 1.00 0.00 H new ATOM 453 N ASP A 30 -3.786 10.984 -2.745 1.00 0.00 N ATOM 454 CA ASP A 30 -4.400 10.391 -3.932 1.00 0.00 C ATOM 455 C ASP A 30 -4.550 8.876 -3.789 1.00 0.00 C ATOM 456 O ASP A 30 -5.543 8.300 -4.237 1.00 0.00 O ATOM 457 CB ASP A 30 -3.577 10.716 -5.180 1.00 0.00 C ATOM 458 CG ASP A 30 -4.434 11.239 -6.313 1.00 0.00 C ATOM 459 OD1 ASP A 30 -4.716 12.456 -6.333 1.00 0.00 O ATOM 460 OD2 ASP A 30 -4.827 10.432 -7.182 1.00 0.00 O ATOM 0 H ASP A 30 -2.892 11.443 -2.920 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.396 10.823 -4.036 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.818 11.457 -4.929 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.051 9.820 -5.509 1.00 0.00 H new ATOM 465 N ILE A 31 -3.561 8.235 -3.161 1.00 0.00 N ATOM 466 CA ILE A 31 -3.596 6.783 -2.958 1.00 0.00 C ATOM 467 C ILE A 31 -4.837 6.360 -2.177 1.00 0.00 C ATOM 468 O ILE A 31 -5.331 5.248 -2.344 1.00 0.00 O ATOM 469 CB ILE A 31 -2.341 6.263 -2.227 1.00 0.00 C ATOM 470 CG1 ILE A 31 -2.073 7.085 -0.962 1.00 0.00 C ATOM 471 CG2 ILE A 31 -1.144 6.290 -3.165 1.00 0.00 C ATOM 472 CD1 ILE A 31 -0.673 6.926 -0.407 1.00 0.00 C ATOM 0 H ILE A 31 -2.731 8.694 -2.786 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.624 6.341 -3.954 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.513 5.231 -1.920 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.248 8.138 -1.182 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.791 6.796 -0.195 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.262 5.921 -2.641 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.344 5.656 -4.029 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.966 7.312 -3.499 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.564 7.540 0.487 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.499 5.880 -0.153 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.053 7.243 -1.155 1.00 0.00 H new ATOM 484 N ASP A 32 -5.346 7.260 -1.334 1.00 0.00 N ATOM 485 CA ASP A 32 -6.539 6.987 -0.540 1.00 0.00 C ATOM 486 C ASP A 32 -7.731 6.659 -1.442 1.00 0.00 C ATOM 487 O ASP A 32 -8.660 5.960 -1.034 1.00 0.00 O ATOM 488 CB ASP A 32 -6.864 8.194 0.345 1.00 0.00 C ATOM 489 CG ASP A 32 -7.960 7.906 1.349 1.00 0.00 C ATOM 490 OD1 ASP A 32 -7.830 6.923 2.109 1.00 0.00 O ATOM 491 OD2 ASP A 32 -8.950 8.663 1.378 1.00 0.00 O ATOM 0 H ASP A 32 -4.947 8.187 -1.185 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.342 6.121 0.092 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.963 8.503 0.876 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.165 9.031 -0.285 1.00 0.00 H new ATOM 496 N GLN A 33 -7.695 7.171 -2.674 1.00 0.00 N ATOM 497 CA GLN A 33 -8.761 6.936 -3.639 1.00 0.00 C ATOM 498 C GLN A 33 -8.533 5.632 -4.402 1.00 0.00 C ATOM 499 O GLN A 33 -9.443 4.810 -4.520 1.00 0.00 O ATOM 500 CB GLN A 33 -8.858 8.113 -4.610 1.00 0.00 C ATOM 501 CG GLN A 33 -10.056 8.043 -5.545 1.00 0.00 C ATOM 502 CD GLN A 33 -10.584 9.416 -5.917 1.00 0.00 C ATOM 503 OE1 GLN A 33 -11.778 9.686 -5.799 1.00 0.00 O ATOM 504 NE2 GLN A 33 -9.692 10.294 -6.370 1.00 0.00 N ATOM 0 H GLN A 33 -6.934 7.753 -3.024 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.702 6.847 -3.096 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.909 9.040 -4.038 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.946 8.156 -5.206 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.774 7.508 -6.452 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.851 7.468 -5.070 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -8.711 10.028 -6.452 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.990 11.233 -6.635 1.00 0.00 H new ATOM 513 N LEU A 34 -7.312 5.440 -4.906 1.00 0.00 N ATOM 514 CA LEU A 34 -6.975 4.221 -5.640 1.00 0.00 C ATOM 515 C LEU A 34 -6.942 3.014 -4.701 1.00 0.00 C ATOM 516 O LEU A 34 -7.125 1.873 -5.133 1.00 0.00 O ATOM 517 CB LEU A 34 -5.629 4.376 -6.356 1.00 0.00 C ATOM 518 CG LEU A 34 -4.391 4.373 -5.451 1.00 0.00 C ATOM 519 CD1 LEU A 34 -3.904 2.953 -5.208 1.00 0.00 C ATOM 520 CD2 LEU A 34 -3.284 5.215 -6.068 1.00 0.00 C ATOM 0 H LEU A 34 -6.546 6.108 -4.820 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.748 4.053 -6.389 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.529 3.568 -7.081 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.643 5.309 -6.919 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.667 4.808 -4.490 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.025 2.975 -4.564 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.693 2.375 -4.726 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.645 2.489 -6.160 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.411 5.204 -5.415 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.014 4.805 -7.041 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.632 6.241 -6.191 1.00 0.00 H new ATOM 532 N ALA A 35 -6.716 3.278 -3.413 1.00 0.00 N ATOM 533 CA ALA A 35 -6.669 2.223 -2.404 1.00 0.00 C ATOM 534 C ALA A 35 -8.072 1.858 -1.926 1.00 0.00 C ATOM 535 O ALA A 35 -8.291 0.752 -1.433 1.00 0.00 O ATOM 536 CB ALA A 35 -5.801 2.645 -1.229 1.00 0.00 C ATOM 0 H ALA A 35 -6.562 4.217 -3.045 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.227 1.339 -2.863 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.778 1.846 -0.488 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.788 2.845 -1.578 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.214 3.547 -0.777 1.00 0.00 H new ATOM 542 N ARG A 36 -9.019 2.785 -2.086 1.00 0.00 N ATOM 543 CA ARG A 36 -10.404 2.547 -1.679 1.00 0.00 C ATOM 544 C ARG A 36 -10.985 1.332 -2.406 1.00 0.00 C ATOM 545 O ARG A 36 -11.827 0.618 -1.862 1.00 0.00 O ATOM 546 CB ARG A 36 -11.262 3.784 -1.962 1.00 0.00 C ATOM 547 CG ARG A 36 -12.257 4.095 -0.855 1.00 0.00 C ATOM 548 CD ARG A 36 -12.770 5.525 -0.947 1.00 0.00 C ATOM 549 NE ARG A 36 -11.699 6.509 -0.786 1.00 0.00 N ATOM 550 CZ ARG A 36 -11.898 7.828 -0.764 1.00 0.00 C ATOM 551 NH1 ARG A 36 -13.127 8.327 -0.866 1.00 0.00 N ATOM 552 NH2 ARG A 36 -10.865 8.653 -0.632 1.00 0.00 N ATOM 0 H ARG A 36 -8.852 3.705 -2.494 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.412 2.346 -0.608 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.609 4.645 -2.106 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.804 3.635 -2.896 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.096 3.402 -0.915 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.784 3.939 0.114 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.255 5.674 -1.912 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.528 5.687 -0.181 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.744 6.166 -0.685 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -13.926 7.700 -0.962 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.271 9.337 -0.848 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.920 8.278 -0.548 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.017 9.662 -0.615 1.00 0.00 H new ATOM 566 N LEU A 37 -10.517 1.097 -3.635 1.00 0.00 N ATOM 567 CA LEU A 37 -10.979 -0.035 -4.434 1.00 0.00 C ATOM 568 C LEU A 37 -10.483 -1.356 -3.845 1.00 0.00 C ATOM 569 O LEU A 37 -11.243 -2.317 -3.721 1.00 0.00 O ATOM 570 CB LEU A 37 -10.490 0.109 -5.879 1.00 0.00 C ATOM 571 CG LEU A 37 -11.511 0.695 -6.859 1.00 0.00 C ATOM 572 CD1 LEU A 37 -11.750 2.169 -6.563 1.00 0.00 C ATOM 573 CD2 LEU A 37 -11.044 0.503 -8.297 1.00 0.00 C ATOM 0 H LEU A 37 -9.817 1.678 -4.097 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.069 -0.041 -4.422 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.602 0.741 -5.884 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -10.185 -0.872 -6.242 1.00 0.00 H new ATOM 0 HG LEU A 37 -12.454 0.164 -6.733 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.478 2.569 -7.269 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -12.131 2.279 -5.548 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.812 2.716 -6.660 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -11.782 0.926 -8.979 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.088 1.007 -8.439 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.927 -0.561 -8.503 1.00 0.00 H new ATOM 585 N ILE A 38 -9.204 -1.388 -3.476 1.00 0.00 N ATOM 586 CA ILE A 38 -8.594 -2.580 -2.889 1.00 0.00 C ATOM 587 C ILE A 38 -8.969 -2.705 -1.408 1.00 0.00 C ATOM 588 O ILE A 38 -8.973 -3.804 -0.849 1.00 0.00 O ATOM 589 CB ILE A 38 -7.053 -2.552 -3.049 1.00 0.00 C ATOM 590 CG1 ILE A 38 -6.671 -2.558 -4.534 1.00 0.00 C ATOM 591 CG2 ILE A 38 -6.407 -3.737 -2.340 1.00 0.00 C ATOM 592 CD1 ILE A 38 -6.897 -1.232 -5.231 1.00 0.00 C ATOM 0 H ILE A 38 -8.567 -0.598 -3.574 1.00 0.00 H new ATOM 0 HA ILE A 38 -8.979 -3.449 -3.422 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.684 -1.635 -2.590 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.620 -2.832 -4.628 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -7.248 -3.329 -5.045 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.326 -3.692 -2.468 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.648 -3.701 -1.278 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.785 -4.666 -2.766 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -6.603 -1.316 -6.277 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -7.952 -0.964 -5.171 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.299 -0.460 -4.747 1.00 0.00 H new ATOM 604 N ARG A 39 -9.310 -1.572 -0.789 1.00 0.00 N ATOM 605 CA ARG A 39 -9.717 -1.538 0.610 1.00 0.00 C ATOM 606 C ARG A 39 -11.108 -2.148 0.767 1.00 0.00 C ATOM 607 O ARG A 39 -11.437 -2.709 1.810 1.00 0.00 O ATOM 608 CB ARG A 39 -9.720 -0.090 1.115 1.00 0.00 C ATOM 609 CG ARG A 39 -10.278 0.082 2.521 1.00 0.00 C ATOM 610 CD ARG A 39 -10.815 1.489 2.742 1.00 0.00 C ATOM 611 NE ARG A 39 -9.751 2.495 2.721 1.00 0.00 N ATOM 612 CZ ARG A 39 -9.871 3.721 3.232 1.00 0.00 C ATOM 613 NH1 ARG A 39 -11.013 4.113 3.792 1.00 0.00 N ATOM 614 NH2 ARG A 39 -8.843 4.562 3.180 1.00 0.00 N ATOM 0 H ARG A 39 -9.311 -0.659 -1.244 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.009 -2.120 1.200 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -8.700 0.292 1.092 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.305 0.521 0.427 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.075 -0.643 2.688 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.497 -0.129 3.251 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.549 1.722 1.970 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -11.335 1.532 3.699 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.863 2.242 2.288 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -11.807 3.474 3.833 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -11.095 5.053 4.180 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.966 4.269 2.750 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.932 5.500 3.570 1.00 0.00 H new ATOM 628 N ALA A 40 -11.912 -2.037 -0.292 1.00 0.00 N ATOM 629 CA ALA A 40 -13.264 -2.579 -0.291 1.00 0.00 C ATOM 630 C ALA A 40 -13.285 -4.005 -0.842 1.00 0.00 C ATOM 631 O ALA A 40 -14.286 -4.712 -0.720 1.00 0.00 O ATOM 632 CB ALA A 40 -14.195 -1.682 -1.095 1.00 0.00 C ATOM 0 H ALA A 40 -11.646 -1.575 -1.161 1.00 0.00 H new ATOM 0 HA ALA A 40 -13.615 -2.612 0.740 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -15.202 -2.100 -1.085 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -14.212 -0.686 -0.653 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -13.839 -1.617 -2.123 1.00 0.00 H new ATOM 638 N ASN A 41 -12.171 -4.418 -1.451 1.00 0.00 N ATOM 639 CA ASN A 41 -12.045 -5.754 -2.024 1.00 0.00 C ATOM 640 C ASN A 41 -12.116 -6.833 -0.943 1.00 0.00 C ATOM 641 O ASN A 41 -12.535 -7.961 -1.207 1.00 0.00 O ATOM 642 CB ASN A 41 -10.718 -5.871 -2.777 1.00 0.00 C ATOM 643 CG ASN A 41 -10.824 -6.759 -4.002 1.00 0.00 C ATOM 644 OD1 ASN A 41 -10.067 -6.431 -5.043 1.00 0.00 O flip ATOM 645 ND2 ASN A 41 -11.581 -7.727 -4.015 1.00 0.00 N flip ATOM 0 H ASN A 41 -11.339 -3.839 -1.559 1.00 0.00 H new ATOM 0 HA ASN A 41 -12.877 -5.905 -2.712 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.386 -4.878 -3.079 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -9.957 -6.271 -2.107 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -12.145 -7.944 -3.194 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -11.645 -8.313 -4.847 1.00 0.00 H new ATOM 652 N GLY A 42 -11.696 -6.480 0.272 1.00 0.00 N ATOM 653 CA GLY A 42 -11.712 -7.427 1.371 1.00 0.00 C ATOM 654 C GLY A 42 -10.718 -7.071 2.464 1.00 0.00 C ATOM 655 O GLY A 42 -10.939 -7.384 3.635 1.00 0.00 O ATOM 0 H GLY A 42 -11.345 -5.553 0.512 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.715 -7.467 1.796 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.487 -8.423 0.991 1.00 0.00 H new ATOM 659 N GLY A 43 -9.619 -6.414 2.083 1.00 0.00 N ATOM 660 CA GLY A 43 -8.611 -6.027 3.053 1.00 0.00 C ATOM 661 C GLY A 43 -8.970 -4.752 3.792 1.00 0.00 C ATOM 662 O GLY A 43 -10.148 -4.412 3.920 1.00 0.00 O ATOM 0 H GLY A 43 -9.413 -6.145 1.121 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.477 -6.834 3.773 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.656 -5.891 2.545 1.00 0.00 H new ATOM 666 N GLU A 44 -7.954 -4.045 4.280 1.00 0.00 N ATOM 667 CA GLU A 44 -8.163 -2.800 5.011 1.00 0.00 C ATOM 668 C GLU A 44 -6.903 -1.942 4.973 1.00 0.00 C ATOM 669 O GLU A 44 -5.838 -2.378 5.405 1.00 0.00 O ATOM 670 CB GLU A 44 -8.557 -3.091 6.463 1.00 0.00 C ATOM 671 CG GLU A 44 -7.644 -4.089 7.161 1.00 0.00 C ATOM 672 CD GLU A 44 -7.960 -4.239 8.636 1.00 0.00 C ATOM 673 OE1 GLU A 44 -7.933 -3.220 9.357 1.00 0.00 O ATOM 674 OE2 GLU A 44 -8.233 -5.378 9.071 1.00 0.00 O ATOM 0 H GLU A 44 -6.975 -4.315 4.182 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.974 -2.253 4.531 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.554 -2.157 7.024 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -9.578 -3.472 6.483 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.734 -5.060 6.674 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.608 -3.770 7.046 1.00 0.00 H new ATOM 681 N VAL A 45 -7.030 -0.727 4.448 1.00 0.00 N ATOM 682 CA VAL A 45 -5.896 0.187 4.349 1.00 0.00 C ATOM 683 C VAL A 45 -6.191 1.527 5.019 1.00 0.00 C ATOM 684 O VAL A 45 -7.274 2.092 4.859 1.00 0.00 O ATOM 685 CB VAL A 45 -5.496 0.439 2.878 1.00 0.00 C ATOM 686 CG1 VAL A 45 -6.625 1.111 2.113 1.00 0.00 C ATOM 687 CG2 VAL A 45 -4.228 1.273 2.807 1.00 0.00 C ATOM 0 H VAL A 45 -7.906 -0.352 4.085 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.068 -0.296 4.868 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.301 -0.526 2.409 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.317 1.277 1.081 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.507 0.471 2.130 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.861 2.068 2.579 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.961 1.441 1.764 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.395 2.232 3.298 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.417 0.745 3.309 1.00 0.00 H new ATOM 697 N LEU A 46 -5.206 2.036 5.756 1.00 0.00 N ATOM 698 CA LEU A 46 -5.333 3.317 6.439 1.00 0.00 C ATOM 699 C LEU A 46 -4.354 4.321 5.836 1.00 0.00 C ATOM 700 O LEU A 46 -3.166 4.308 6.157 1.00 0.00 O ATOM 701 CB LEU A 46 -5.072 3.156 7.943 1.00 0.00 C ATOM 702 CG LEU A 46 -5.679 1.905 8.586 1.00 0.00 C ATOM 703 CD1 LEU A 46 -5.317 1.833 10.063 1.00 0.00 C ATOM 704 CD2 LEU A 46 -7.190 1.888 8.406 1.00 0.00 C ATOM 0 H LEU A 46 -4.306 1.576 5.895 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.350 3.686 6.308 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.995 3.142 8.108 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.462 4.034 8.458 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.264 1.029 8.087 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.757 0.938 10.502 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.233 1.795 10.170 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.701 2.715 10.575 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.602 0.992 8.870 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.622 2.771 8.876 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.430 1.889 7.343 1.00 0.00 H new ATOM 716 N ASP A 47 -4.859 5.174 4.945 1.00 0.00 N ATOM 717 CA ASP A 47 -4.028 6.173 4.277 1.00 0.00 C ATOM 718 C ASP A 47 -3.817 7.401 5.161 1.00 0.00 C ATOM 719 O ASP A 47 -4.622 8.333 5.149 1.00 0.00 O ATOM 720 CB ASP A 47 -4.656 6.586 2.939 1.00 0.00 C ATOM 721 CG ASP A 47 -4.906 5.407 2.015 1.00 0.00 C ATOM 722 OD1 ASP A 47 -5.860 4.638 2.271 1.00 0.00 O ATOM 723 OD2 ASP A 47 -4.149 5.253 1.035 1.00 0.00 O ATOM 0 H ASP A 47 -5.841 5.192 4.669 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.054 5.722 4.087 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.599 7.099 3.129 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.000 7.299 2.440 1.00 0.00 H new ATOM 728 N SER A 48 -2.724 7.395 5.923 1.00 0.00 N ATOM 729 CA SER A 48 -2.398 8.507 6.810 1.00 0.00 C ATOM 730 C SER A 48 -0.945 8.934 6.626 1.00 0.00 C ATOM 731 O SER A 48 -0.027 8.143 6.845 1.00 0.00 O ATOM 732 CB SER A 48 -2.647 8.112 8.270 1.00 0.00 C ATOM 733 OG SER A 48 -3.184 9.198 9.007 1.00 0.00 O ATOM 0 H SER A 48 -2.049 6.630 5.943 1.00 0.00 H new ATOM 0 HA SER A 48 -3.042 9.348 6.555 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.334 7.266 8.309 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.713 7.785 8.726 1.00 0.00 H new ATOM 0 HG SER A 48 -3.336 8.921 9.935 1.00 0.00 H new ATOM 739 N LYS A 49 -0.739 10.186 6.216 1.00 0.00 N ATOM 740 CA LYS A 49 0.611 10.705 6.004 1.00 0.00 C ATOM 741 C LYS A 49 0.972 11.757 7.054 1.00 0.00 C ATOM 742 O LYS A 49 0.687 12.943 6.884 1.00 0.00 O ATOM 743 CB LYS A 49 0.745 11.302 4.596 1.00 0.00 C ATOM 744 CG LYS A 49 -0.403 12.219 4.198 1.00 0.00 C ATOM 745 CD LYS A 49 0.086 13.417 3.398 1.00 0.00 C ATOM 746 CE LYS A 49 0.268 14.645 4.279 1.00 0.00 C ATOM 747 NZ LYS A 49 -1.038 15.236 4.689 1.00 0.00 N ATOM 0 H LYS A 49 -1.485 10.855 6.025 1.00 0.00 H new ATOM 0 HA LYS A 49 1.305 9.870 6.103 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.679 11.861 4.537 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.814 10.489 3.873 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.129 11.659 3.608 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.919 12.565 5.093 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.032 13.171 2.916 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.627 13.641 2.605 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.838 14.373 5.167 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.852 15.393 3.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.880 16.180 5.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.659 15.316 3.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.488 14.624 5.400 1.00 0.00 H new ATOM 761 N PRO A 50 1.613 11.332 8.160 1.00 0.00 N ATOM 762 CA PRO A 50 2.018 12.235 9.236 1.00 0.00 C ATOM 763 C PRO A 50 3.375 12.899 8.981 1.00 0.00 C ATOM 764 O PRO A 50 3.638 13.994 9.478 1.00 0.00 O ATOM 765 CB PRO A 50 2.102 11.297 10.437 1.00 0.00 C ATOM 766 CG PRO A 50 2.527 9.985 9.863 1.00 0.00 C ATOM 767 CD PRO A 50 1.985 9.932 8.454 1.00 0.00 C ATOM 0 HA PRO A 50 1.326 13.068 9.357 1.00 0.00 H new ATOM 0 HB2 PRO A 50 2.820 11.659 11.173 1.00 0.00 H new ATOM 0 HB3 PRO A 50 1.140 11.215 10.944 1.00 0.00 H new ATOM 0 HG2 PRO A 50 3.613 9.896 9.863 1.00 0.00 H new ATOM 0 HG3 PRO A 50 2.139 9.158 10.458 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.733 9.562 7.753 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.124 9.267 8.382 1.00 0.00 H new ATOM 775 N ARG A 51 4.232 12.221 8.208 1.00 0.00 N ATOM 776 CA ARG A 51 5.566 12.728 7.889 1.00 0.00 C ATOM 777 C ARG A 51 6.389 12.970 9.159 1.00 0.00 C ATOM 778 O ARG A 51 7.330 13.767 9.158 1.00 0.00 O ATOM 779 CB ARG A 51 5.467 14.007 7.054 1.00 0.00 C ATOM 780 CG ARG A 51 5.974 13.836 5.633 1.00 0.00 C ATOM 781 CD ARG A 51 5.864 15.130 4.837 1.00 0.00 C ATOM 782 NE ARG A 51 6.918 15.246 3.827 1.00 0.00 N ATOM 783 CZ ARG A 51 6.861 16.069 2.777 1.00 0.00 C ATOM 784 NH1 ARG A 51 5.802 16.854 2.591 1.00 0.00 N ATOM 785 NH2 ARG A 51 7.869 16.110 1.912 1.00 0.00 N ATOM 0 H ARG A 51 4.020 11.314 7.791 1.00 0.00 H new ATOM 0 HA ARG A 51 6.082 11.969 7.301 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.428 14.334 7.025 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.036 14.797 7.543 1.00 0.00 H new ATOM 0 HG2 ARG A 51 7.014 13.509 5.654 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.403 13.052 5.135 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.890 15.174 4.350 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.919 15.980 5.517 1.00 0.00 H new ATOM 0 HE ARG A 51 7.747 14.662 3.932 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.026 16.830 3.253 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.766 17.480 1.786 1.00 0.00 H new ATOM 0 HH21 ARG A 51 8.685 15.513 2.051 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.827 16.738 1.109 1.00 0.00 H new ATOM 799 N GLU A 52 6.041 12.261 10.233 1.00 0.00 N ATOM 800 CA GLU A 52 6.755 12.378 11.497 1.00 0.00 C ATOM 801 C GLU A 52 7.692 11.189 11.674 1.00 0.00 C ATOM 802 O GLU A 52 7.254 10.037 11.631 1.00 0.00 O ATOM 803 CB GLU A 52 5.770 12.444 12.669 1.00 0.00 C ATOM 804 CG GLU A 52 5.343 13.855 13.039 1.00 0.00 C ATOM 805 CD GLU A 52 4.954 13.982 14.500 1.00 0.00 C ATOM 806 OE1 GLU A 52 3.974 13.323 14.912 1.00 0.00 O ATOM 807 OE2 GLU A 52 5.625 14.739 15.231 1.00 0.00 O ATOM 0 H GLU A 52 5.266 11.598 10.249 1.00 0.00 H new ATOM 0 HA GLU A 52 7.339 13.298 11.482 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.884 11.861 12.419 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.226 11.973 13.540 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.158 14.546 12.822 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.500 14.151 12.415 1.00 0.00 H new ATOM 814 N SER A 53 8.976 11.467 11.868 1.00 0.00 N ATOM 815 CA SER A 53 9.960 10.406 12.044 1.00 0.00 C ATOM 816 C SER A 53 9.912 9.854 13.469 1.00 0.00 C ATOM 817 O SER A 53 10.508 10.417 14.389 1.00 0.00 O ATOM 818 CB SER A 53 11.364 10.920 11.704 1.00 0.00 C ATOM 819 OG SER A 53 11.833 11.843 12.675 1.00 0.00 O ATOM 0 H SER A 53 9.358 12.412 11.907 1.00 0.00 H new ATOM 0 HA SER A 53 9.717 9.592 11.361 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.054 10.079 11.638 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.350 11.398 10.724 1.00 0.00 H new ATOM 0 HG SER A 53 11.570 11.540 13.569 1.00 0.00 H new ATOM 825 N LYS A 54 9.186 8.751 13.641 1.00 0.00 N ATOM 826 CA LYS A 54 9.044 8.111 14.945 1.00 0.00 C ATOM 827 C LYS A 54 9.425 6.629 14.888 1.00 0.00 C ATOM 828 O LYS A 54 9.080 5.856 15.782 1.00 0.00 O ATOM 829 CB LYS A 54 7.608 8.273 15.450 1.00 0.00 C ATOM 830 CG LYS A 54 6.540 8.020 14.392 1.00 0.00 C ATOM 831 CD LYS A 54 5.613 9.216 14.242 1.00 0.00 C ATOM 832 CE LYS A 54 4.169 8.778 14.065 1.00 0.00 C ATOM 833 NZ LYS A 54 3.523 8.453 15.368 1.00 0.00 N ATOM 0 H LYS A 54 8.685 8.280 12.888 1.00 0.00 H new ATOM 0 HA LYS A 54 9.728 8.600 15.639 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.448 7.588 16.282 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.484 9.283 15.841 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.017 7.805 13.436 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.959 7.139 14.663 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.696 9.855 15.121 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.922 9.813 13.384 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.608 9.570 13.569 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.132 7.905 13.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.539 8.159 15.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.043 7.680 15.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.535 9.293 15.981 1.00 0.00 H new ATOM 847 N GLU A 55 10.154 6.249 13.840 1.00 0.00 N ATOM 848 CA GLU A 55 10.611 4.873 13.650 1.00 0.00 C ATOM 849 C GLU A 55 9.471 3.845 13.753 1.00 0.00 C ATOM 850 O GLU A 55 9.699 2.701 14.146 1.00 0.00 O ATOM 851 CB GLU A 55 11.713 4.541 14.660 1.00 0.00 C ATOM 852 CG GLU A 55 12.938 3.901 14.021 1.00 0.00 C ATOM 853 CD GLU A 55 14.240 4.225 14.737 1.00 0.00 C ATOM 854 OE1 GLU A 55 14.326 5.295 15.377 1.00 0.00 O ATOM 855 OE2 GLU A 55 15.178 3.407 14.645 1.00 0.00 O ATOM 0 H GLU A 55 10.445 6.886 13.098 1.00 0.00 H new ATOM 0 HA GLU A 55 11.006 4.807 12.636 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.014 5.454 15.173 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.312 3.867 15.417 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.804 2.819 14.002 1.00 0.00 H new ATOM 0 HG3 GLU A 55 13.011 4.232 12.985 1.00 0.00 H new ATOM 862 N ASN A 56 8.254 4.247 13.379 1.00 0.00 N ATOM 863 CA ASN A 56 7.104 3.339 13.419 1.00 0.00 C ATOM 864 C ASN A 56 6.059 3.705 12.356 1.00 0.00 C ATOM 865 O ASN A 56 4.872 3.418 12.519 1.00 0.00 O ATOM 866 CB ASN A 56 6.466 3.327 14.817 1.00 0.00 C ATOM 867 CG ASN A 56 5.880 4.670 15.223 1.00 0.00 C ATOM 868 OD1 ASN A 56 6.471 5.398 16.017 1.00 0.00 O ATOM 869 ND2 ASN A 56 4.707 5.005 14.690 1.00 0.00 N ATOM 0 H ASN A 56 8.040 5.187 13.047 1.00 0.00 H new ATOM 0 HA ASN A 56 7.471 2.337 13.195 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.680 2.573 14.843 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.217 3.030 15.549 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.269 5.892 14.938 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.246 4.374 14.034 1.00 0.00 H new ATOM 876 N VAL A 57 6.509 4.323 11.263 1.00 0.00 N ATOM 877 CA VAL A 57 5.614 4.711 10.177 1.00 0.00 C ATOM 878 C VAL A 57 6.043 4.055 8.866 1.00 0.00 C ATOM 879 O VAL A 57 7.055 4.434 8.275 1.00 0.00 O ATOM 880 CB VAL A 57 5.558 6.246 9.989 1.00 0.00 C ATOM 881 CG1 VAL A 57 4.607 6.875 10.996 1.00 0.00 C ATOM 882 CG2 VAL A 57 6.945 6.866 10.105 1.00 0.00 C ATOM 0 H VAL A 57 7.488 4.565 11.108 1.00 0.00 H new ATOM 0 HA VAL A 57 4.617 4.366 10.451 1.00 0.00 H new ATOM 0 HB VAL A 57 5.183 6.446 8.985 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.582 7.955 10.847 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.606 6.466 10.856 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.951 6.656 12.007 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.874 7.945 9.968 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.358 6.651 11.091 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.597 6.446 9.339 1.00 0.00 H new ATOM 892 N PHE A 58 5.269 3.064 8.422 1.00 0.00 N ATOM 893 CA PHE A 58 5.567 2.347 7.181 1.00 0.00 C ATOM 894 C PHE A 58 4.286 1.904 6.472 1.00 0.00 C ATOM 895 O PHE A 58 3.232 1.773 7.097 1.00 0.00 O ATOM 896 CB PHE A 58 6.443 1.119 7.466 1.00 0.00 C ATOM 897 CG PHE A 58 7.553 1.374 8.449 1.00 0.00 C ATOM 898 CD1 PHE A 58 8.727 1.991 8.048 1.00 0.00 C ATOM 899 CD2 PHE A 58 7.417 0.997 9.776 1.00 0.00 C ATOM 900 CE1 PHE A 58 9.745 2.226 8.952 1.00 0.00 C ATOM 901 CE2 PHE A 58 8.432 1.230 10.685 1.00 0.00 C ATOM 902 CZ PHE A 58 9.597 1.845 10.273 1.00 0.00 C ATOM 0 H PHE A 58 4.430 2.739 8.903 1.00 0.00 H new ATOM 0 HA PHE A 58 6.106 3.034 6.528 1.00 0.00 H new ATOM 0 HB2 PHE A 58 5.812 0.316 7.846 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.875 0.768 6.529 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.848 2.291 7.018 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.507 0.516 10.104 1.00 0.00 H new ATOM 0 HE1 PHE A 58 10.656 2.707 8.627 1.00 0.00 H new ATOM 0 HE2 PHE A 58 8.314 0.931 11.716 1.00 0.00 H new ATOM 0 HZ PHE A 58 10.392 2.028 10.981 1.00 0.00 H new ATOM 912 N ILE A 59 4.390 1.674 5.163 1.00 0.00 N ATOM 913 CA ILE A 59 3.253 1.242 4.354 1.00 0.00 C ATOM 914 C ILE A 59 3.372 -0.242 3.981 1.00 0.00 C ATOM 915 O ILE A 59 4.324 -0.649 3.311 1.00 0.00 O ATOM 916 CB ILE A 59 3.122 2.099 3.069 1.00 0.00 C ATOM 917 CG1 ILE A 59 2.016 1.558 2.155 1.00 0.00 C ATOM 918 CG2 ILE A 59 4.445 2.165 2.318 1.00 0.00 C ATOM 919 CD1 ILE A 59 1.845 2.343 0.871 1.00 0.00 C ATOM 0 H ILE A 59 5.258 1.781 4.638 1.00 0.00 H new ATOM 0 HA ILE A 59 2.355 1.380 4.957 1.00 0.00 H new ATOM 0 HB ILE A 59 2.850 3.110 3.374 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.237 0.520 1.908 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.072 1.562 2.701 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.324 2.772 1.421 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.205 2.611 2.959 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.754 1.158 2.036 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.045 1.900 0.278 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.592 3.377 1.107 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.775 2.318 0.303 1.00 0.00 H new ATOM 931 N VAL A 60 2.396 -1.043 4.414 1.00 0.00 N ATOM 932 CA VAL A 60 2.383 -2.477 4.126 1.00 0.00 C ATOM 933 C VAL A 60 1.456 -2.784 2.945 1.00 0.00 C ATOM 934 O VAL A 60 0.434 -2.120 2.759 1.00 0.00 O ATOM 935 CB VAL A 60 1.959 -3.316 5.365 1.00 0.00 C ATOM 936 CG1 VAL A 60 2.426 -2.656 6.656 1.00 0.00 C ATOM 937 CG2 VAL A 60 0.451 -3.539 5.403 1.00 0.00 C ATOM 0 H VAL A 60 1.602 -0.720 4.967 1.00 0.00 H new ATOM 0 HA VAL A 60 3.403 -2.759 3.864 1.00 0.00 H new ATOM 0 HB VAL A 60 2.442 -4.289 5.276 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.117 -3.263 7.507 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.513 -2.569 6.648 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.983 -1.663 6.738 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.192 -4.129 6.282 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.058 -2.576 5.449 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.139 -4.071 4.504 1.00 0.00 H new ATOM 947 N SER A 61 1.824 -3.785 2.147 1.00 0.00 N ATOM 948 CA SER A 61 1.028 -4.171 0.980 1.00 0.00 C ATOM 949 C SER A 61 0.090 -5.336 1.296 1.00 0.00 C ATOM 950 O SER A 61 0.289 -6.063 2.270 1.00 0.00 O ATOM 951 CB SER A 61 1.945 -4.550 -0.189 1.00 0.00 C ATOM 952 OG SER A 61 3.078 -5.273 0.261 1.00 0.00 O ATOM 0 H SER A 61 2.666 -4.343 2.286 1.00 0.00 H new ATOM 0 HA SER A 61 0.419 -3.311 0.702 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.390 -5.150 -0.910 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.269 -3.648 -0.708 1.00 0.00 H new ATOM 0 HG SER A 61 3.467 -5.770 -0.488 1.00 0.00 H new ATOM 958 N PRO A 62 -0.948 -5.531 0.457 1.00 0.00 N ATOM 959 CA PRO A 62 -1.924 -6.614 0.634 1.00 0.00 C ATOM 960 C PRO A 62 -1.307 -7.993 0.418 1.00 0.00 C ATOM 961 O PRO A 62 -0.670 -8.241 -0.608 1.00 0.00 O ATOM 962 CB PRO A 62 -2.984 -6.324 -0.434 1.00 0.00 C ATOM 963 CG PRO A 62 -2.274 -5.525 -1.470 1.00 0.00 C ATOM 964 CD PRO A 62 -1.248 -4.710 -0.734 1.00 0.00 C ATOM 0 HA PRO A 62 -2.323 -6.638 1.648 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -3.386 -7.247 -0.853 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -3.825 -5.771 -0.016 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -1.801 -6.174 -2.207 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -2.969 -4.882 -2.011 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -0.358 -4.542 -1.341 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -1.636 -3.729 -0.459 1.00 0.00 H new ATOM 972 N TYR A 63 -1.492 -8.879 1.402 1.00 0.00 N ATOM 973 CA TYR A 63 -0.954 -10.246 1.350 1.00 0.00 C ATOM 974 C TYR A 63 0.504 -10.302 1.826 1.00 0.00 C ATOM 975 O TYR A 63 1.081 -11.385 1.939 1.00 0.00 O ATOM 976 CB TYR A 63 -1.064 -10.828 -0.065 1.00 0.00 C ATOM 977 CG TYR A 63 -1.585 -12.245 -0.105 1.00 0.00 C ATOM 978 CD1 TYR A 63 -2.943 -12.510 0.016 1.00 0.00 C ATOM 979 CD2 TYR A 63 -0.718 -13.320 -0.268 1.00 0.00 C ATOM 980 CE1 TYR A 63 -3.424 -13.805 -0.022 1.00 0.00 C ATOM 981 CE2 TYR A 63 -1.191 -14.617 -0.308 1.00 0.00 C ATOM 982 CZ TYR A 63 -2.543 -14.854 -0.184 1.00 0.00 C ATOM 983 OH TYR A 63 -3.018 -16.144 -0.226 1.00 0.00 O ATOM 0 H TYR A 63 -2.015 -8.673 2.253 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.556 -10.850 2.028 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -1.721 -10.193 -0.658 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.082 -10.799 -0.537 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.635 -11.690 0.142 1.00 0.00 H new ATOM 0 HD2 TYR A 63 0.342 -13.138 -0.365 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -4.483 -13.995 0.075 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -0.505 -15.441 -0.436 1.00 0.00 H new ATOM 0 HH TYR A 63 -2.269 -16.765 -0.346 1.00 0.00 H new ATOM 993 N ASN A 64 1.094 -9.138 2.107 1.00 0.00 N ATOM 994 CA ASN A 64 2.475 -9.069 2.574 1.00 0.00 C ATOM 995 C ASN A 64 2.558 -9.423 4.060 1.00 0.00 C ATOM 996 O ASN A 64 1.981 -8.735 4.903 1.00 0.00 O ATOM 997 CB ASN A 64 3.043 -7.665 2.320 1.00 0.00 C ATOM 998 CG ASN A 64 4.296 -7.370 3.124 1.00 0.00 C ATOM 999 OD1 ASN A 64 5.415 -7.531 2.634 1.00 0.00 O ATOM 1000 ND2 ASN A 64 4.115 -6.937 4.367 1.00 0.00 N ATOM 0 H ASN A 64 0.634 -8.232 2.018 1.00 0.00 H new ATOM 0 HA ASN A 64 3.071 -9.794 2.020 1.00 0.00 H new ATOM 0 HB2 ASN A 64 3.267 -7.558 1.259 1.00 0.00 H new ATOM 0 HB3 ASN A 64 2.282 -6.923 2.562 1.00 0.00 H new ATOM 0 HD21 ASN A 64 4.921 -6.724 4.955 1.00 0.00 H new ATOM 0 HD22 ASN A 64 3.170 -6.818 4.733 1.00 0.00 H new ATOM 1007 N HIS A 65 3.283 -10.497 4.369 1.00 0.00 N ATOM 1008 CA HIS A 65 3.450 -10.941 5.753 1.00 0.00 C ATOM 1009 C HIS A 65 4.512 -10.105 6.468 1.00 0.00 C ATOM 1010 O HIS A 65 5.266 -9.370 5.830 1.00 0.00 O ATOM 1011 CB HIS A 65 3.838 -12.423 5.792 1.00 0.00 C ATOM 1012 CG HIS A 65 2.667 -13.357 5.769 1.00 0.00 C ATOM 1013 ND1 HIS A 65 1.916 -13.595 4.638 1.00 0.00 N ATOM 1014 CD2 HIS A 65 2.123 -14.119 6.748 1.00 0.00 C ATOM 1015 CE1 HIS A 65 0.961 -14.463 4.922 1.00 0.00 C ATOM 1016 NE2 HIS A 65 1.064 -14.796 6.194 1.00 0.00 N ATOM 0 H HIS A 65 3.764 -11.076 3.681 1.00 0.00 H new ATOM 0 HA HIS A 65 2.499 -10.808 6.269 1.00 0.00 H new ATOM 0 HB2 HIS A 65 4.482 -12.642 4.941 1.00 0.00 H new ATOM 0 HB3 HIS A 65 4.423 -12.612 6.692 1.00 0.00 H new ATOM 0 HD2 HIS A 65 2.459 -14.182 7.772 1.00 0.00 H new ATOM 0 HE1 HIS A 65 0.221 -14.837 4.230 1.00 0.00 H new ATOM 0 HE2 HIS A 65 0.456 -15.450 6.687 1.00 0.00 H new ATOM 1025 N THR A 66 4.560 -10.229 7.797 1.00 0.00 N ATOM 1026 CA THR A 66 5.524 -9.490 8.619 1.00 0.00 C ATOM 1027 C THR A 66 5.164 -8.006 8.682 1.00 0.00 C ATOM 1028 O THR A 66 5.011 -7.351 7.649 1.00 0.00 O ATOM 1029 CB THR A 66 6.956 -9.662 8.094 1.00 0.00 C ATOM 1030 OG1 THR A 66 7.134 -10.937 7.499 1.00 0.00 O ATOM 1031 CG2 THR A 66 8.011 -9.512 9.171 1.00 0.00 C ATOM 0 H THR A 66 3.939 -10.838 8.330 1.00 0.00 H new ATOM 0 HA THR A 66 5.477 -9.905 9.626 1.00 0.00 H new ATOM 0 HB THR A 66 7.085 -8.866 7.361 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.054 -11.020 7.172 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.000 -9.645 8.733 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.941 -8.518 9.613 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.852 -10.265 9.943 1.00 0.00 H new ATOM 1039 N ASN A 67 5.026 -7.488 9.902 1.00 0.00 N ATOM 1040 CA ASN A 67 4.679 -6.084 10.108 1.00 0.00 C ATOM 1041 C ASN A 67 5.894 -5.270 10.542 1.00 0.00 C ATOM 1042 O ASN A 67 6.197 -5.167 11.732 1.00 0.00 O ATOM 1043 CB ASN A 67 3.559 -5.957 11.148 1.00 0.00 C ATOM 1044 CG ASN A 67 2.179 -6.053 10.526 1.00 0.00 C ATOM 1045 OD1 ASN A 67 1.393 -5.108 10.584 1.00 0.00 O ATOM 1046 ND2 ASN A 67 1.876 -7.199 9.923 1.00 0.00 N ATOM 0 H ASN A 67 5.150 -8.021 10.763 1.00 0.00 H new ATOM 0 HA ASN A 67 4.327 -5.685 9.157 1.00 0.00 H new ATOM 0 HB2 ASN A 67 3.672 -6.740 11.897 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.655 -5.003 11.667 1.00 0.00 H new ATOM 0 HD21 ASN A 67 0.962 -7.319 9.486 1.00 0.00 H new ATOM 0 HD22 ASN A 67 2.557 -7.958 9.898 1.00 0.00 H new ATOM 1053 N LEU A 68 6.582 -4.689 9.558 1.00 0.00 N ATOM 1054 CA LEU A 68 7.769 -3.871 9.810 1.00 0.00 C ATOM 1055 C LEU A 68 8.302 -3.263 8.507 1.00 0.00 C ATOM 1056 O LEU A 68 8.476 -2.050 8.411 1.00 0.00 O ATOM 1057 CB LEU A 68 8.869 -4.690 10.502 1.00 0.00 C ATOM 1058 CG LEU A 68 9.485 -4.026 11.739 1.00 0.00 C ATOM 1059 CD1 LEU A 68 8.744 -4.446 13.002 1.00 0.00 C ATOM 1060 CD2 LEU A 68 10.965 -4.366 11.851 1.00 0.00 C ATOM 0 H LEU A 68 6.335 -4.771 8.572 1.00 0.00 H new ATOM 0 HA LEU A 68 7.475 -3.060 10.476 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.454 -5.655 10.794 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.662 -4.889 9.781 1.00 0.00 H new ATOM 0 HG LEU A 68 9.388 -2.946 11.628 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.198 -3.963 13.868 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.698 -4.148 12.927 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.805 -5.528 13.117 1.00 0.00 H new ATOM 0 HD21 LEU A 68 11.383 -3.885 12.735 1.00 0.00 H new ATOM 0 HD22 LEU A 68 11.085 -5.446 11.935 1.00 0.00 H new ATOM 0 HD23 LEU A 68 11.488 -4.011 10.963 1.00 0.00 H new ATOM 1072 N PRO A 69 8.567 -4.104 7.481 1.00 0.00 N ATOM 1073 CA PRO A 69 9.079 -3.638 6.181 1.00 0.00 C ATOM 1074 C PRO A 69 8.136 -2.654 5.494 1.00 0.00 C ATOM 1075 O PRO A 69 7.019 -2.418 5.955 1.00 0.00 O ATOM 1076 CB PRO A 69 9.193 -4.922 5.350 1.00 0.00 C ATOM 1077 CG PRO A 69 9.225 -6.030 6.345 1.00 0.00 C ATOM 1078 CD PRO A 69 8.389 -5.567 7.501 1.00 0.00 C ATOM 0 HA PRO A 69 10.020 -3.101 6.296 1.00 0.00 H new ATOM 0 HB2 PRO A 69 8.347 -5.027 4.670 1.00 0.00 H new ATOM 0 HB3 PRO A 69 10.095 -4.916 4.738 1.00 0.00 H new ATOM 0 HG2 PRO A 69 8.826 -6.950 5.918 1.00 0.00 H new ATOM 0 HG3 PRO A 69 10.246 -6.242 6.661 1.00 0.00 H new ATOM 0 HD2 PRO A 69 7.343 -5.847 7.379 1.00 0.00 H new ATOM 0 HD3 PRO A 69 8.727 -6.001 8.442 1.00 0.00 H new ATOM 1086 N THR A 70 8.597 -2.082 4.384 1.00 0.00 N ATOM 1087 CA THR A 70 7.804 -1.120 3.623 1.00 0.00 C ATOM 1088 C THR A 70 7.747 -1.505 2.148 1.00 0.00 C ATOM 1089 O THR A 70 8.687 -2.094 1.621 1.00 0.00 O ATOM 1090 CB THR A 70 8.393 0.287 3.768 1.00 0.00 C ATOM 1091 OG1 THR A 70 8.998 0.464 5.040 1.00 0.00 O ATOM 1092 CG2 THR A 70 7.362 1.379 3.596 1.00 0.00 C ATOM 0 H THR A 70 9.519 -2.269 3.991 1.00 0.00 H new ATOM 0 HA THR A 70 6.790 -1.128 4.023 1.00 0.00 H new ATOM 0 HB THR A 70 9.134 0.369 2.973 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.366 1.370 5.104 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.840 2.352 3.710 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.918 1.307 2.603 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.584 1.267 4.351 1.00 0.00 H new ATOM 1100 N VAL A 71 6.644 -1.166 1.487 1.00 0.00 N ATOM 1101 CA VAL A 71 6.474 -1.475 0.068 1.00 0.00 C ATOM 1102 C VAL A 71 6.032 -0.241 -0.714 1.00 0.00 C ATOM 1103 O VAL A 71 5.571 0.741 -0.133 1.00 0.00 O ATOM 1104 CB VAL A 71 5.449 -2.606 -0.152 1.00 0.00 C ATOM 1105 CG1 VAL A 71 5.920 -3.898 0.500 1.00 0.00 C ATOM 1106 CG2 VAL A 71 4.081 -2.200 0.374 1.00 0.00 C ATOM 0 H VAL A 71 5.854 -0.678 1.909 1.00 0.00 H new ATOM 0 HA VAL A 71 7.446 -1.807 -0.298 1.00 0.00 H new ATOM 0 HB VAL A 71 5.362 -2.783 -1.224 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.181 -4.681 0.331 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.873 -4.199 0.065 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.044 -3.741 1.571 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.372 -3.012 0.209 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.149 -1.989 1.441 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.739 -1.308 -0.151 1.00 0.00 H new ATOM 1116 N THR A 72 6.179 -0.296 -2.038 1.00 0.00 N ATOM 1117 CA THR A 72 5.794 0.829 -2.896 1.00 0.00 C ATOM 1118 C THR A 72 4.273 0.999 -2.948 1.00 0.00 C ATOM 1119 O THR A 72 3.532 0.017 -3.046 1.00 0.00 O ATOM 1120 CB THR A 72 6.348 0.644 -4.314 1.00 0.00 C ATOM 1121 OG1 THR A 72 5.996 -0.628 -4.838 1.00 0.00 O ATOM 1122 CG2 THR A 72 7.856 0.778 -4.395 1.00 0.00 C ATOM 0 H THR A 72 6.559 -1.100 -2.538 1.00 0.00 H new ATOM 0 HA THR A 72 6.223 1.732 -2.462 1.00 0.00 H new ATOM 0 HB THR A 72 5.898 1.445 -4.900 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.360 -0.721 -5.743 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.179 0.636 -5.426 1.00 0.00 H new ATOM 0 HG22 THR A 72 8.152 1.771 -4.056 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.323 0.024 -3.761 1.00 0.00 H new ATOM 1130 N PRO A 73 3.784 2.258 -2.898 1.00 0.00 N ATOM 1131 CA PRO A 73 2.344 2.558 -2.950 1.00 0.00 C ATOM 1132 C PRO A 73 1.750 2.275 -4.327 1.00 0.00 C ATOM 1133 O PRO A 73 0.609 1.826 -4.442 1.00 0.00 O ATOM 1134 CB PRO A 73 2.280 4.054 -2.644 1.00 0.00 C ATOM 1135 CG PRO A 73 3.604 4.586 -3.069 1.00 0.00 C ATOM 1136 CD PRO A 73 4.596 3.489 -2.795 1.00 0.00 C ATOM 0 HA PRO A 73 1.773 1.943 -2.254 1.00 0.00 H new ATOM 0 HB2 PRO A 73 1.467 4.535 -3.188 1.00 0.00 H new ATOM 0 HB3 PRO A 73 2.103 4.234 -1.584 1.00 0.00 H new ATOM 0 HG2 PRO A 73 3.597 4.851 -4.126 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.858 5.490 -2.515 1.00 0.00 H new ATOM 0 HD2 PRO A 73 5.411 3.494 -3.519 1.00 0.00 H new ATOM 0 HD3 PRO A 73 5.046 3.592 -1.808 1.00 0.00 H new ATOM 1144 N THR A 74 2.545 2.540 -5.366 1.00 0.00 N ATOM 1145 CA THR A 74 2.124 2.314 -6.749 1.00 0.00 C ATOM 1146 C THR A 74 1.788 0.839 -7.004 1.00 0.00 C ATOM 1147 O THR A 74 1.157 0.512 -8.011 1.00 0.00 O ATOM 1148 CB THR A 74 3.212 2.781 -7.724 1.00 0.00 C ATOM 1149 OG1 THR A 74 4.502 2.641 -7.154 1.00 0.00 O ATOM 1150 CG2 THR A 74 3.053 4.228 -8.149 1.00 0.00 C ATOM 0 H THR A 74 3.490 2.914 -5.274 1.00 0.00 H new ATOM 0 HA THR A 74 1.219 2.898 -6.916 1.00 0.00 H new ATOM 0 HB THR A 74 3.101 2.143 -8.601 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.755 3.476 -6.707 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.854 4.495 -8.838 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.090 4.358 -8.644 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.100 4.872 -7.271 1.00 0.00 H new ATOM 1158 N TYR A 75 2.198 -0.047 -6.087 1.00 0.00 N ATOM 1159 CA TYR A 75 1.922 -1.480 -6.212 1.00 0.00 C ATOM 1160 C TYR A 75 0.447 -1.730 -6.533 1.00 0.00 C ATOM 1161 O TYR A 75 0.116 -2.662 -7.266 1.00 0.00 O ATOM 1162 CB TYR A 75 2.299 -2.203 -4.915 1.00 0.00 C ATOM 1163 CG TYR A 75 2.498 -3.694 -5.076 1.00 0.00 C ATOM 1164 CD1 TYR A 75 3.727 -4.210 -5.467 1.00 0.00 C ATOM 1165 CD2 TYR A 75 1.461 -4.586 -4.831 1.00 0.00 C ATOM 1166 CE1 TYR A 75 3.919 -5.571 -5.607 1.00 0.00 C ATOM 1167 CE2 TYR A 75 1.645 -5.949 -4.971 1.00 0.00 C ATOM 1168 CZ TYR A 75 2.875 -6.436 -5.359 1.00 0.00 C ATOM 1169 OH TYR A 75 3.062 -7.794 -5.496 1.00 0.00 O ATOM 0 H TYR A 75 2.723 0.206 -5.250 1.00 0.00 H new ATOM 0 HA TYR A 75 2.524 -1.870 -7.033 1.00 0.00 H new ATOM 0 HB2 TYR A 75 3.216 -1.765 -4.521 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.518 -2.029 -4.174 1.00 0.00 H new ATOM 0 HD1 TYR A 75 4.547 -3.535 -5.665 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.496 -4.208 -4.526 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.882 -5.955 -5.909 1.00 0.00 H new ATOM 0 HE2 TYR A 75 0.829 -6.629 -4.777 1.00 0.00 H new ATOM 0 HH TYR A 75 2.228 -8.262 -5.283 1.00 0.00 H new ATOM 1179 N ILE A 76 -0.434 -0.888 -5.987 1.00 0.00 N ATOM 1180 CA ILE A 76 -1.870 -1.018 -6.226 1.00 0.00 C ATOM 1181 C ILE A 76 -2.189 -0.933 -7.719 1.00 0.00 C ATOM 1182 O ILE A 76 -2.992 -1.713 -8.229 1.00 0.00 O ATOM 1183 CB ILE A 76 -2.678 0.064 -5.477 1.00 0.00 C ATOM 1184 CG1 ILE A 76 -2.412 -0.006 -3.971 1.00 0.00 C ATOM 1185 CG2 ILE A 76 -4.164 -0.096 -5.764 1.00 0.00 C ATOM 1186 CD1 ILE A 76 -3.009 -1.224 -3.298 1.00 0.00 C ATOM 0 H ILE A 76 -0.177 -0.111 -5.378 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.160 -1.997 -5.846 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.357 1.043 -5.833 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.335 -0.001 -3.802 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.813 0.891 -3.499 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.723 0.673 -5.230 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.341 0.005 -6.835 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.495 -1.080 -5.433 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.777 -1.201 -2.233 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.090 -1.222 -3.434 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.589 -2.127 -3.741 1.00 0.00 H new ATOM 1198 N LYS A 77 -1.552 0.010 -8.417 1.00 0.00 N ATOM 1199 CA LYS A 77 -1.768 0.179 -9.856 1.00 0.00 C ATOM 1200 C LYS A 77 -1.515 -1.134 -10.601 1.00 0.00 C ATOM 1201 O LYS A 77 -2.178 -1.430 -11.594 1.00 0.00 O ATOM 1202 CB LYS A 77 -0.854 1.273 -10.413 1.00 0.00 C ATOM 1203 CG LYS A 77 -1.510 2.645 -10.491 1.00 0.00 C ATOM 1204 CD LYS A 77 -1.210 3.338 -11.814 1.00 0.00 C ATOM 1205 CE LYS A 77 0.079 4.146 -11.745 1.00 0.00 C ATOM 1206 NZ LYS A 77 0.705 4.313 -13.087 1.00 0.00 N ATOM 0 H LYS A 77 -0.885 0.666 -8.011 1.00 0.00 H new ATOM 0 HA LYS A 77 -2.807 0.474 -10.006 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.036 1.342 -9.788 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.522 0.983 -11.410 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -2.588 2.540 -10.371 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.157 3.265 -9.667 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.131 2.593 -12.606 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.039 3.996 -12.077 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.130 5.127 -11.318 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.782 3.650 -11.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.579 4.868 -12.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.929 3.378 -13.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.044 4.809 -13.719 1.00 0.00 H new ATOM 1220 N ALA A 78 -0.556 -1.918 -10.103 1.00 0.00 N ATOM 1221 CA ALA A 78 -0.212 -3.201 -10.702 1.00 0.00 C ATOM 1222 C ALA A 78 -1.061 -4.328 -10.115 1.00 0.00 C ATOM 1223 O ALA A 78 -1.294 -5.339 -10.771 1.00 0.00 O ATOM 1224 CB ALA A 78 1.267 -3.492 -10.502 1.00 0.00 C ATOM 0 H ALA A 78 -0.003 -1.680 -9.280 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.421 -3.145 -11.770 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.513 -4.453 -10.953 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.859 -2.708 -10.973 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.491 -3.524 -9.436 1.00 0.00 H new ATOM 1230 N CYS A 79 -1.535 -4.145 -8.883 1.00 0.00 N ATOM 1231 CA CYS A 79 -2.371 -5.149 -8.235 1.00 0.00 C ATOM 1232 C CYS A 79 -3.790 -5.091 -8.792 1.00 0.00 C ATOM 1233 O CYS A 79 -4.519 -6.083 -8.763 1.00 0.00 O ATOM 1234 CB CYS A 79 -2.393 -4.936 -6.720 1.00 0.00 C ATOM 1235 SG CYS A 79 -3.077 -6.328 -5.790 1.00 0.00 S ATOM 0 H CYS A 79 -1.354 -3.315 -8.318 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.949 -6.133 -8.440 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.376 -4.747 -6.375 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -2.976 -4.042 -6.498 1.00 0.00 H new ATOM 0 HG CYS A 79 -3.052 -6.055 -4.519 1.00 0.00 H new ATOM 1241 N CYS A 80 -4.175 -3.921 -9.304 1.00 0.00 N ATOM 1242 CA CYS A 80 -5.500 -3.728 -9.874 1.00 0.00 C ATOM 1243 C CYS A 80 -5.507 -4.043 -11.371 1.00 0.00 C ATOM 1244 O CYS A 80 -6.499 -4.551 -11.897 1.00 0.00 O ATOM 1245 CB CYS A 80 -5.978 -2.295 -9.637 1.00 0.00 C ATOM 1246 SG CYS A 80 -7.771 -2.085 -9.765 1.00 0.00 S ATOM 0 H CYS A 80 -3.581 -3.092 -9.333 1.00 0.00 H new ATOM 0 HA CYS A 80 -6.183 -4.417 -9.377 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -5.655 -1.975 -8.647 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -5.493 -1.637 -10.359 1.00 0.00 H new ATOM 0 HG CYS A 80 -8.079 -0.841 -9.547 1.00 0.00 H new ATOM 1252 N GLN A 81 -4.399 -3.740 -12.058 1.00 0.00 N ATOM 1253 CA GLN A 81 -4.300 -3.997 -13.494 1.00 0.00 C ATOM 1254 C GLN A 81 -3.642 -5.350 -13.780 1.00 0.00 C ATOM 1255 O GLN A 81 -4.074 -6.075 -14.675 1.00 0.00 O ATOM 1256 CB GLN A 81 -3.541 -2.866 -14.209 1.00 0.00 C ATOM 1257 CG GLN A 81 -2.031 -2.896 -14.013 1.00 0.00 C ATOM 1258 CD GLN A 81 -1.304 -3.552 -15.173 1.00 0.00 C ATOM 1259 OE1 GLN A 81 -0.942 -4.725 -15.108 1.00 0.00 O ATOM 1260 NE2 GLN A 81 -1.085 -2.795 -16.244 1.00 0.00 N ATOM 0 H GLN A 81 -3.567 -3.320 -11.644 1.00 0.00 H new ATOM 0 HA GLN A 81 -5.316 -4.030 -13.887 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.757 -2.919 -15.276 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.922 -1.909 -13.853 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -1.664 -1.877 -13.889 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -1.798 -3.433 -13.093 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -1.402 -1.826 -16.257 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -0.600 -3.184 -17.053 1.00 0.00 H new ATOM 1269 N SER A 82 -2.596 -5.688 -13.019 1.00 0.00 N ATOM 1270 CA SER A 82 -1.897 -6.961 -13.211 1.00 0.00 C ATOM 1271 C SER A 82 -2.477 -8.069 -12.324 1.00 0.00 C ATOM 1272 O SER A 82 -2.285 -9.253 -12.608 1.00 0.00 O ATOM 1273 CB SER A 82 -0.399 -6.800 -12.933 1.00 0.00 C ATOM 1274 OG SER A 82 0.377 -7.505 -13.887 1.00 0.00 O ATOM 0 H SER A 82 -2.218 -5.105 -12.272 1.00 0.00 H new ATOM 0 HA SER A 82 -2.040 -7.254 -14.251 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.134 -5.743 -12.954 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.171 -7.166 -11.932 1.00 0.00 H new ATOM 0 HG SER A 82 1.329 -7.384 -13.688 1.00 0.00 H new ATOM 1280 N ASN A 83 -3.180 -7.682 -11.255 1.00 0.00 N ATOM 1281 CA ASN A 83 -3.785 -8.643 -10.331 1.00 0.00 C ATOM 1282 C ASN A 83 -2.715 -9.325 -9.475 1.00 0.00 C ATOM 1283 O ASN A 83 -2.604 -9.055 -8.279 1.00 0.00 O ATOM 1284 CB ASN A 83 -4.607 -9.690 -11.095 1.00 0.00 C ATOM 1285 CG ASN A 83 -6.022 -9.818 -10.564 1.00 0.00 C ATOM 1286 OD1 ASN A 83 -6.956 -9.233 -11.111 1.00 0.00 O ATOM 1287 ND2 ASN A 83 -6.188 -10.586 -9.492 1.00 0.00 N ATOM 0 H ASN A 83 -3.344 -6.706 -11.009 1.00 0.00 H new ATOM 0 HA ASN A 83 -4.455 -8.095 -9.669 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -4.642 -9.421 -12.151 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.109 -10.657 -11.029 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.118 -10.708 -9.091 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.385 -11.053 -9.070 1.00 0.00 H new ATOM 1294 N SER A 84 -1.926 -10.201 -10.097 1.00 0.00 N ATOM 1295 CA SER A 84 -0.864 -10.913 -9.394 1.00 0.00 C ATOM 1296 C SER A 84 0.293 -11.229 -10.347 1.00 0.00 C ATOM 1297 O SER A 84 0.379 -10.659 -11.436 1.00 0.00 O ATOM 1298 CB SER A 84 -1.414 -12.199 -8.765 1.00 0.00 C ATOM 1299 OG SER A 84 -1.222 -12.204 -7.359 1.00 0.00 O ATOM 0 H SER A 84 -2.004 -10.433 -11.087 1.00 0.00 H new ATOM 0 HA SER A 84 -0.484 -10.274 -8.597 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.476 -12.292 -8.990 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.918 -13.064 -9.206 1.00 0.00 H new ATOM 0 HG SER A 84 -1.583 -13.034 -6.983 1.00 0.00 H new ATOM 1305 N LEU A 85 1.186 -12.133 -9.932 1.00 0.00 N ATOM 1306 CA LEU A 85 2.338 -12.515 -10.751 1.00 0.00 C ATOM 1307 C LEU A 85 3.276 -11.322 -10.976 1.00 0.00 C ATOM 1308 O LEU A 85 3.921 -11.215 -12.018 1.00 0.00 O ATOM 1309 CB LEU A 85 1.869 -13.086 -12.098 1.00 0.00 C ATOM 1310 CG LEU A 85 2.612 -14.338 -12.584 1.00 0.00 C ATOM 1311 CD1 LEU A 85 4.110 -14.079 -12.677 1.00 0.00 C ATOM 1312 CD2 LEU A 85 2.327 -15.523 -11.671 1.00 0.00 C ATOM 0 H LEU A 85 1.132 -12.613 -9.034 1.00 0.00 H new ATOM 0 HA LEU A 85 2.893 -13.285 -10.215 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.808 -13.322 -12.022 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.969 -12.309 -12.856 1.00 0.00 H new ATOM 0 HG LEU A 85 2.247 -14.580 -13.582 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.614 -14.981 -13.023 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.296 -13.267 -13.380 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.493 -13.804 -11.694 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.864 -16.399 -12.034 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.656 -15.290 -10.658 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.257 -15.729 -11.666 1.00 0.00 H new ATOM 1324 N LEU A 86 3.349 -10.432 -9.984 1.00 0.00 N ATOM 1325 CA LEU A 86 4.208 -9.252 -10.069 1.00 0.00 C ATOM 1326 C LEU A 86 4.717 -8.851 -8.682 1.00 0.00 C ATOM 1327 O LEU A 86 4.530 -7.715 -8.239 1.00 0.00 O ATOM 1328 CB LEU A 86 3.454 -8.088 -10.720 1.00 0.00 C ATOM 1329 CG LEU A 86 4.300 -6.842 -11.005 1.00 0.00 C ATOM 1330 CD1 LEU A 86 4.956 -6.936 -12.375 1.00 0.00 C ATOM 1331 CD2 LEU A 86 3.450 -5.586 -10.904 1.00 0.00 C ATOM 0 H LEU A 86 2.823 -10.507 -9.113 1.00 0.00 H new ATOM 0 HA LEU A 86 5.069 -9.499 -10.690 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.020 -8.436 -11.658 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.625 -7.805 -10.071 1.00 0.00 H new ATOM 0 HG LEU A 86 5.088 -6.786 -10.254 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.551 -6.041 -12.556 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.601 -7.814 -12.410 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.186 -7.021 -13.142 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.067 -4.711 -11.109 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.639 -5.636 -11.630 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.033 -5.508 -9.900 1.00 0.00 H new ATOM 1343 N ASN A 87 5.367 -9.793 -8.003 1.00 0.00 N ATOM 1344 CA ASN A 87 5.911 -9.546 -6.670 1.00 0.00 C ATOM 1345 C ASN A 87 7.314 -8.950 -6.752 1.00 0.00 C ATOM 1346 O ASN A 87 7.757 -8.267 -5.828 1.00 0.00 O ATOM 1347 CB ASN A 87 5.930 -10.837 -5.848 1.00 0.00 C ATOM 1348 CG ASN A 87 5.756 -10.582 -4.362 1.00 0.00 C ATOM 1349 OD1 ASN A 87 4.711 -10.887 -3.788 1.00 0.00 O ATOM 1350 ND2 ASN A 87 6.781 -10.020 -3.732 1.00 0.00 N ATOM 0 H ASN A 87 5.530 -10.736 -8.355 1.00 0.00 H new ATOM 0 HA ASN A 87 5.263 -8.825 -6.172 1.00 0.00 H new ATOM 0 HB2 ASN A 87 5.135 -11.497 -6.196 1.00 0.00 H new ATOM 0 HB3 ASN A 87 6.873 -11.357 -6.016 1.00 0.00 H new ATOM 0 HD21 ASN A 87 6.720 -9.825 -2.733 1.00 0.00 H new ATOM 0 HD22 ASN A 87 7.629 -9.784 -4.247 1.00 0.00 H new ATOM 1357 N MET A 88 8.004 -9.193 -7.866 1.00 0.00 N ATOM 1358 CA MET A 88 9.346 -8.655 -8.062 1.00 0.00 C ATOM 1359 C MET A 88 9.321 -7.126 -8.019 1.00 0.00 C ATOM 1360 O MET A 88 10.329 -6.490 -7.709 1.00 0.00 O ATOM 1361 CB MET A 88 9.921 -9.131 -9.400 1.00 0.00 C ATOM 1362 CG MET A 88 11.361 -9.612 -9.307 1.00 0.00 C ATOM 1363 SD MET A 88 11.505 -11.224 -8.511 1.00 0.00 S ATOM 1364 CE MET A 88 11.761 -10.742 -6.806 1.00 0.00 C ATOM 0 H MET A 88 7.656 -9.756 -8.642 1.00 0.00 H new ATOM 0 HA MET A 88 9.983 -9.018 -7.255 1.00 0.00 H new ATOM 0 HB2 MET A 88 9.301 -9.940 -9.785 1.00 0.00 H new ATOM 0 HB3 MET A 88 9.865 -8.315 -10.121 1.00 0.00 H new ATOM 0 HG2 MET A 88 11.787 -9.666 -10.309 1.00 0.00 H new ATOM 0 HG3 MET A 88 11.948 -8.882 -8.750 1.00 0.00 H new ATOM 0 HE1 MET A 88 12.508 -11.393 -6.352 1.00 0.00 H new ATOM 0 HE2 MET A 88 12.109 -9.710 -6.768 1.00 0.00 H new ATOM 0 HE3 MET A 88 10.823 -10.829 -6.258 1.00 0.00 H new ATOM 1374 N GLU A 89 8.158 -6.543 -8.328 1.00 0.00 N ATOM 1375 CA GLU A 89 7.997 -5.091 -8.321 1.00 0.00 C ATOM 1376 C GLU A 89 7.537 -4.574 -6.965 1.00 0.00 C ATOM 1377 O GLU A 89 7.357 -3.367 -6.794 1.00 0.00 O ATOM 1378 CB GLU A 89 7.027 -4.654 -9.419 1.00 0.00 C ATOM 1379 CG GLU A 89 7.610 -3.628 -10.374 1.00 0.00 C ATOM 1380 CD GLU A 89 7.529 -2.218 -9.827 1.00 0.00 C ATOM 1381 OE1 GLU A 89 6.485 -1.562 -10.027 1.00 0.00 O ATOM 1382 OE2 GLU A 89 8.509 -1.768 -9.196 1.00 0.00 O ATOM 0 H GLU A 89 7.316 -7.057 -8.586 1.00 0.00 H new ATOM 0 HA GLU A 89 8.976 -4.655 -8.520 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.716 -5.531 -9.987 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.131 -4.239 -8.957 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.652 -3.876 -10.578 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.079 -3.677 -11.324 1.00 0.00 H new ATOM 1389 N ASN A 90 7.383 -5.468 -5.988 1.00 0.00 N ATOM 1390 CA ASN A 90 6.994 -5.052 -4.649 1.00 0.00 C ATOM 1391 C ASN A 90 7.943 -3.955 -4.172 1.00 0.00 C ATOM 1392 O ASN A 90 7.552 -3.068 -3.409 1.00 0.00 O ATOM 1393 CB ASN A 90 7.035 -6.237 -3.679 1.00 0.00 C ATOM 1394 CG ASN A 90 6.098 -6.059 -2.500 1.00 0.00 C ATOM 1395 OD1 ASN A 90 5.345 -5.088 -2.427 1.00 0.00 O ATOM 1396 ND2 ASN A 90 6.141 -6.999 -1.561 1.00 0.00 N ATOM 0 H ASN A 90 7.521 -6.472 -6.100 1.00 0.00 H new ATOM 0 HA ASN A 90 5.973 -4.672 -4.677 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.770 -7.149 -4.214 1.00 0.00 H new ATOM 0 HB3 ASN A 90 8.053 -6.367 -3.313 1.00 0.00 H new ATOM 0 HD21 ASN A 90 5.536 -6.931 -0.743 1.00 0.00 H new ATOM 0 HD22 ASN A 90 6.779 -7.789 -1.659 1.00 0.00 H new ATOM 1403 N TYR A 91 9.193 -4.024 -4.658 1.00 0.00 N ATOM 1404 CA TYR A 91 10.223 -3.056 -4.325 1.00 0.00 C ATOM 1405 C TYR A 91 10.217 -2.740 -2.836 1.00 0.00 C ATOM 1406 O TYR A 91 10.429 -1.598 -2.420 1.00 0.00 O ATOM 1407 CB TYR A 91 10.039 -1.791 -5.166 1.00 0.00 C ATOM 1408 CG TYR A 91 11.274 -0.928 -5.220 1.00 0.00 C ATOM 1409 CD1 TYR A 91 12.419 -1.377 -5.858 1.00 0.00 C ATOM 1410 CD2 TYR A 91 11.302 0.326 -4.622 1.00 0.00 C ATOM 1411 CE1 TYR A 91 13.558 -0.605 -5.906 1.00 0.00 C ATOM 1412 CE2 TYR A 91 12.438 1.107 -4.665 1.00 0.00 C ATOM 1413 CZ TYR A 91 13.564 0.639 -5.306 1.00 0.00 C ATOM 1414 OH TYR A 91 14.700 1.413 -5.350 1.00 0.00 O ATOM 0 H TYR A 91 9.507 -4.758 -5.293 1.00 0.00 H new ATOM 0 HA TYR A 91 11.197 -3.486 -4.558 1.00 0.00 H new ATOM 0 HB2 TYR A 91 9.757 -2.075 -6.180 1.00 0.00 H new ATOM 0 HB3 TYR A 91 9.214 -1.208 -4.757 1.00 0.00 H new ATOM 0 HD1 TYR A 91 12.418 -2.350 -6.326 1.00 0.00 H new ATOM 0 HD2 TYR A 91 10.422 0.694 -4.116 1.00 0.00 H new ATOM 0 HE1 TYR A 91 14.441 -0.970 -6.410 1.00 0.00 H new ATOM 0 HE2 TYR A 91 12.445 2.081 -4.198 1.00 0.00 H new ATOM 0 HH TYR A 91 14.538 2.259 -4.882 1.00 0.00 H new ATOM 1424 N LEU A 92 9.965 -3.773 -2.040 1.00 0.00 N ATOM 1425 CA LEU A 92 9.924 -3.629 -0.591 1.00 0.00 C ATOM 1426 C LEU A 92 11.307 -3.303 -0.023 1.00 0.00 C ATOM 1427 O LEU A 92 12.327 -3.770 -0.532 1.00 0.00 O ATOM 1428 CB LEU A 92 9.355 -4.889 0.082 1.00 0.00 C ATOM 1429 CG LEU A 92 9.735 -6.238 -0.548 1.00 0.00 C ATOM 1430 CD1 LEU A 92 11.243 -6.374 -0.699 1.00 0.00 C ATOM 1431 CD2 LEU A 92 9.181 -7.385 0.287 1.00 0.00 C ATOM 0 H LEU A 92 9.786 -4.720 -2.375 1.00 0.00 H new ATOM 0 HA LEU A 92 9.259 -2.794 -0.371 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.680 -4.896 1.122 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.268 -4.810 0.088 1.00 0.00 H new ATOM 0 HG LEU A 92 9.294 -6.279 -1.544 1.00 0.00 H new ATOM 0 HD11 LEU A 92 11.478 -7.339 -1.148 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.618 -5.575 -1.339 1.00 0.00 H new ATOM 0 HD13 LEU A 92 11.715 -6.305 0.281 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.458 -8.335 -0.171 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.594 -7.334 1.295 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.095 -7.308 0.335 1.00 0.00 H new ATOM 1443 N VAL A 93 11.328 -2.496 1.034 1.00 0.00 N ATOM 1444 CA VAL A 93 12.573 -2.096 1.683 1.00 0.00 C ATOM 1445 C VAL A 93 12.850 -2.970 2.907 1.00 0.00 C ATOM 1446 O VAL A 93 11.960 -3.195 3.729 1.00 0.00 O ATOM 1447 CB VAL A 93 12.532 -0.612 2.118 1.00 0.00 C ATOM 1448 CG1 VAL A 93 13.894 -0.160 2.622 1.00 0.00 C ATOM 1449 CG2 VAL A 93 12.064 0.278 0.973 1.00 0.00 C ATOM 0 H VAL A 93 10.490 -2.103 1.462 1.00 0.00 H new ATOM 0 HA VAL A 93 13.372 -2.226 0.954 1.00 0.00 H new ATOM 0 HB VAL A 93 11.816 -0.521 2.935 1.00 0.00 H new ATOM 0 HG11 VAL A 93 13.842 0.886 2.922 1.00 0.00 H new ATOM 0 HG12 VAL A 93 14.186 -0.769 3.478 1.00 0.00 H new ATOM 0 HG13 VAL A 93 14.632 -0.273 1.828 1.00 0.00 H new ATOM 0 HG21 VAL A 93 12.044 1.316 1.304 1.00 0.00 H new ATOM 0 HG22 VAL A 93 12.750 0.179 0.131 1.00 0.00 H new ATOM 0 HG23 VAL A 93 11.063 -0.024 0.663 1.00 0.00 H new ATOM 1459 N PRO A 94 14.092 -3.479 3.044 1.00 0.00 N ATOM 1460 CA PRO A 94 14.474 -4.334 4.173 1.00 0.00 C ATOM 1461 C PRO A 94 14.535 -3.566 5.492 1.00 0.00 C ATOM 1462 O PRO A 94 15.042 -2.444 5.547 1.00 0.00 O ATOM 1463 CB PRO A 94 15.866 -4.841 3.785 1.00 0.00 C ATOM 1464 CG PRO A 94 16.403 -3.807 2.859 1.00 0.00 C ATOM 1465 CD PRO A 94 15.216 -3.269 2.109 1.00 0.00 C ATOM 0 HA PRO A 94 13.748 -5.130 4.341 1.00 0.00 H new ATOM 0 HB2 PRO A 94 16.503 -4.956 4.662 1.00 0.00 H new ATOM 0 HB3 PRO A 94 15.811 -5.816 3.300 1.00 0.00 H new ATOM 0 HG2 PRO A 94 16.909 -3.014 3.410 1.00 0.00 H new ATOM 0 HG3 PRO A 94 17.135 -4.237 2.175 1.00 0.00 H new ATOM 0 HD2 PRO A 94 15.341 -2.215 1.863 1.00 0.00 H new ATOM 0 HD3 PRO A 94 15.061 -3.800 1.170 1.00 0.00 H new