USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 516 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 20 GLN : amide:sc= -3.43! C(o=-4.3!,f=-4.9!) USER MOD Set 1.2: A 82 THR OG1 : rot 141:sc= -0.861 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.198 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0678 USER MOD Single : A 38 LYS NZ :NH3+ 151:sc= 1.08 (180deg=0.582) USER MOD Single : A 41 GLN : amide:sc= -0.0196 K(o=-0.02,f=-0.65) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HE2:sc= -3.43! C(o=-3.4!,f=-9.2!) USER MOD Single : A 54 SER OG : rot 42:sc= 0.00743 USER MOD Single : A 57 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.087) USER MOD Single : A 61 HIS : no HD1:sc= -0.208 X(o=-0.21,f=-0.22) USER MOD Single : A 73 ASN : amide:sc= -7.07! C(o=-7.1!,f=-11!) USER MOD Single : A 76 SER OG : rot -48:sc= -1.35 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.145 K(o=-0.14,f=-1.5!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 198 N ARG A 16 5.176 -14.625 6.660 1.00 0.00 N ATOM 199 CA ARG A 16 4.788 -13.236 6.483 1.00 0.00 C ATOM 200 C ARG A 16 5.731 -12.542 5.499 1.00 0.00 C ATOM 201 O ARG A 16 6.950 -12.603 5.654 1.00 0.00 O ATOM 202 CB ARG A 16 4.810 -12.484 7.816 1.00 0.00 C ATOM 203 CG ARG A 16 3.452 -12.569 8.516 1.00 0.00 C ATOM 204 CD ARG A 16 3.449 -13.678 9.571 1.00 0.00 C ATOM 205 NE ARG A 16 2.486 -13.350 10.646 1.00 0.00 N ATOM 206 CZ ARG A 16 2.618 -12.311 11.482 1.00 0.00 C ATOM 207 NH1 ARG A 16 3.673 -11.493 11.371 1.00 0.00 N ATOM 208 NH2 ARG A 16 1.694 -12.091 12.428 1.00 0.00 N ATOM 0 HA ARG A 16 3.772 -13.224 6.088 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.582 -12.903 8.461 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.070 -11.439 7.644 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.221 -11.613 8.987 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.671 -12.759 7.780 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.182 -14.629 9.110 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.448 -13.796 9.990 1.00 0.00 H new ATOM 0 HE ARG A 16 1.671 -13.953 10.758 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.375 -11.661 10.651 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.774 -10.702 12.007 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.891 -12.714 12.511 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.794 -11.300 13.065 1.00 0.00 H new ATOM 222 N ILE A 17 5.132 -11.899 4.507 1.00 0.00 N ATOM 223 CA ILE A 17 5.904 -11.195 3.497 1.00 0.00 C ATOM 224 C ILE A 17 5.882 -9.696 3.799 1.00 0.00 C ATOM 225 O ILE A 17 5.012 -9.217 4.524 1.00 0.00 O ATOM 226 CB ILE A 17 5.401 -11.548 2.096 1.00 0.00 C ATOM 227 CG1 ILE A 17 3.997 -10.987 1.860 1.00 0.00 C ATOM 228 CG2 ILE A 17 5.463 -13.058 1.855 1.00 0.00 C ATOM 229 CD1 ILE A 17 4.032 -9.464 1.716 1.00 0.00 C ATOM 0 H ILE A 17 4.121 -11.851 4.381 1.00 0.00 H new ATOM 0 HA ILE A 17 6.947 -11.511 3.525 1.00 0.00 H new ATOM 0 HB ILE A 17 6.062 -11.078 1.368 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.571 -11.431 0.961 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.347 -11.262 2.691 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.100 -13.282 0.852 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.493 -13.400 1.953 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.840 -13.569 2.589 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.021 -9.091 1.549 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.436 -9.022 2.626 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.663 -9.193 0.870 1.00 0.00 H new ATOM 241 N THR A 18 6.851 -8.995 3.227 1.00 0.00 N ATOM 242 CA THR A 18 6.954 -7.560 3.425 1.00 0.00 C ATOM 243 C THR A 18 7.248 -6.858 2.098 1.00 0.00 C ATOM 244 O THR A 18 7.765 -7.473 1.167 1.00 0.00 O ATOM 245 CB THR A 18 8.017 -7.306 4.496 1.00 0.00 C ATOM 246 OG1 THR A 18 7.724 -8.262 5.511 1.00 0.00 O ATOM 247 CG2 THR A 18 7.836 -5.955 5.192 1.00 0.00 C ATOM 0 H THR A 18 7.572 -9.395 2.626 1.00 0.00 H new ATOM 0 HA THR A 18 6.011 -7.140 3.776 1.00 0.00 H new ATOM 0 HB THR A 18 9.007 -7.350 4.042 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.367 -8.168 6.244 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.616 -5.825 5.942 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.904 -5.154 4.456 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.859 -5.922 5.675 1.00 0.00 H new ATOM 255 N PHE A 19 6.906 -5.579 2.054 1.00 0.00 N ATOM 256 CA PHE A 19 7.126 -4.786 0.856 1.00 0.00 C ATOM 257 C PHE A 19 7.282 -3.303 1.201 1.00 0.00 C ATOM 258 O PHE A 19 6.902 -2.872 2.288 1.00 0.00 O ATOM 259 CB PHE A 19 5.893 -4.965 -0.032 1.00 0.00 C ATOM 260 CG PHE A 19 4.576 -4.593 0.651 1.00 0.00 C ATOM 261 CD1 PHE A 19 3.876 -5.535 1.339 1.00 0.00 C ATOM 262 CD2 PHE A 19 4.103 -3.320 0.570 1.00 0.00 C ATOM 263 CE1 PHE A 19 2.654 -5.190 1.972 1.00 0.00 C ATOM 264 CE2 PHE A 19 2.881 -2.975 1.204 1.00 0.00 C ATOM 265 CZ PHE A 19 2.181 -3.917 1.891 1.00 0.00 C ATOM 0 H PHE A 19 6.478 -5.072 2.829 1.00 0.00 H new ATOM 0 HA PHE A 19 8.038 -5.113 0.356 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.011 -4.355 -0.928 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.841 -6.004 -0.358 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.251 -6.546 1.403 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.658 -2.572 0.023 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.099 -5.938 2.518 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.507 -1.964 1.141 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.250 -3.655 2.372 1.00 0.00 H new ATOM 275 N GLN A 20 7.840 -2.564 0.253 1.00 0.00 N ATOM 276 CA GLN A 20 8.050 -1.139 0.443 1.00 0.00 C ATOM 277 C GLN A 20 6.970 -0.341 -0.291 1.00 0.00 C ATOM 278 O GLN A 20 6.356 -0.840 -1.232 1.00 0.00 O ATOM 279 CB GLN A 20 9.448 -0.724 -0.021 1.00 0.00 C ATOM 280 CG GLN A 20 10.522 -1.259 0.929 1.00 0.00 C ATOM 281 CD GLN A 20 11.844 -0.514 0.737 1.00 0.00 C ATOM 282 OE1 GLN A 20 12.435 0.005 1.669 1.00 0.00 O ATOM 283 NE2 GLN A 20 12.274 -0.491 -0.522 1.00 0.00 N ATOM 0 H GLN A 20 8.153 -2.925 -0.648 1.00 0.00 H new ATOM 0 HA GLN A 20 7.976 -0.920 1.508 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.628 -1.101 -1.028 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.511 0.363 -0.071 1.00 0.00 H new ATOM 0 HG2 GLN A 20 10.186 -1.152 1.960 1.00 0.00 H new ATOM 0 HG3 GLN A 20 10.672 -2.324 0.752 1.00 0.00 H new ATOM 0 HE21 GLN A 20 11.730 -0.946 -1.255 1.00 0.00 H new ATOM 0 HE22 GLN A 20 13.148 -0.018 -0.754 1.00 0.00 H new ATOM 292 N LEU A 21 6.771 0.886 0.169 1.00 0.00 N ATOM 293 CA LEU A 21 5.776 1.758 -0.432 1.00 0.00 C ATOM 294 C LEU A 21 6.393 3.137 -0.675 1.00 0.00 C ATOM 295 O LEU A 21 7.094 3.668 0.186 1.00 0.00 O ATOM 296 CB LEU A 21 4.508 1.793 0.423 1.00 0.00 C ATOM 297 CG LEU A 21 3.200 1.472 -0.303 1.00 0.00 C ATOM 298 CD1 LEU A 21 1.992 1.924 0.520 1.00 0.00 C ATOM 299 CD2 LEU A 21 3.193 2.073 -1.710 1.00 0.00 C ATOM 0 H LEU A 21 7.282 1.297 0.951 1.00 0.00 H new ATOM 0 HA LEU A 21 5.467 1.371 -1.403 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.628 1.086 1.244 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.420 2.785 0.867 1.00 0.00 H new ATOM 0 HG LEU A 21 3.127 0.390 -0.415 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.075 1.684 -0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.994 1.410 1.481 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.046 3.000 0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.252 1.830 -2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.299 3.156 -1.644 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.022 1.662 -2.286 1.00 0.00 H new ATOM 311 N GLU A 22 6.109 3.678 -1.850 1.00 0.00 N ATOM 312 CA GLU A 22 6.627 4.985 -2.217 1.00 0.00 C ATOM 313 C GLU A 22 5.608 6.074 -1.876 1.00 0.00 C ATOM 314 O GLU A 22 4.434 5.963 -2.227 1.00 0.00 O ATOM 315 CB GLU A 22 7.002 5.030 -3.700 1.00 0.00 C ATOM 316 CG GLU A 22 8.368 5.689 -3.900 1.00 0.00 C ATOM 317 CD GLU A 22 9.078 5.117 -5.129 1.00 0.00 C ATOM 318 OE1 GLU A 22 8.851 5.673 -6.225 1.00 0.00 O ATOM 319 OE2 GLU A 22 9.831 4.137 -4.944 1.00 0.00 O ATOM 0 H GLU A 22 5.527 3.235 -2.561 1.00 0.00 H new ATOM 0 HA GLU A 22 7.534 5.170 -1.641 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.019 4.018 -4.105 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.243 5.582 -4.254 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.243 6.766 -4.016 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.984 5.533 -3.014 1.00 0.00 H new ATOM 326 N LEU A 23 6.094 7.103 -1.196 1.00 0.00 N ATOM 327 CA LEU A 23 5.240 8.211 -0.804 1.00 0.00 C ATOM 328 C LEU A 23 5.494 9.399 -1.734 1.00 0.00 C ATOM 329 O LEU A 23 6.073 10.403 -1.322 1.00 0.00 O ATOM 330 CB LEU A 23 5.434 8.538 0.678 1.00 0.00 C ATOM 331 CG LEU A 23 4.581 7.733 1.660 1.00 0.00 C ATOM 332 CD1 LEU A 23 5.266 7.631 3.025 1.00 0.00 C ATOM 333 CD2 LEU A 23 3.171 8.317 1.768 1.00 0.00 C ATOM 0 H LEU A 23 7.068 7.192 -0.907 1.00 0.00 H new ATOM 0 HA LEU A 23 4.190 7.940 -0.912 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.484 8.385 0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.222 9.597 0.827 1.00 0.00 H new ATOM 0 HG LEU A 23 4.480 6.719 1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.639 7.054 3.705 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.230 7.136 2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.417 8.631 3.432 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.585 7.726 2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.230 9.347 2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.692 8.294 0.789 1.00 0.00 H new ATOM 345 N VAL A 24 5.049 9.245 -2.973 1.00 0.00 N ATOM 346 CA VAL A 24 5.220 10.292 -3.965 1.00 0.00 C ATOM 347 C VAL A 24 4.792 11.633 -3.365 1.00 0.00 C ATOM 348 O VAL A 24 3.605 11.956 -3.343 1.00 0.00 O ATOM 349 CB VAL A 24 4.454 9.936 -5.240 1.00 0.00 C ATOM 350 CG1 VAL A 24 4.689 10.982 -6.332 1.00 0.00 C ATOM 351 CG2 VAL A 24 4.828 8.536 -5.732 1.00 0.00 C ATOM 0 H VAL A 24 4.570 8.411 -3.312 1.00 0.00 H new ATOM 0 HA VAL A 24 6.269 10.382 -4.247 1.00 0.00 H new ATOM 0 HB VAL A 24 3.390 9.934 -5.002 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.133 10.704 -7.227 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.349 11.957 -5.981 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.752 11.031 -6.566 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.269 8.308 -6.640 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.896 8.498 -5.945 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.585 7.803 -4.963 1.00 0.00 H new ATOM 426 N VAL A 29 10.710 5.877 1.443 1.00 0.00 N ATOM 427 CA VAL A 29 10.272 4.521 1.160 1.00 0.00 C ATOM 428 C VAL A 29 9.857 3.841 2.466 1.00 0.00 C ATOM 429 O VAL A 29 10.702 3.536 3.306 1.00 0.00 O ATOM 430 CB VAL A 29 11.369 3.761 0.412 1.00 0.00 C ATOM 431 CG1 VAL A 29 10.981 2.295 0.211 1.00 0.00 C ATOM 432 CG2 VAL A 29 11.688 4.433 -0.925 1.00 0.00 C ATOM 0 HA VAL A 29 9.400 4.530 0.507 1.00 0.00 H new ATOM 0 HB VAL A 29 12.271 3.787 1.023 1.00 0.00 H new ATOM 0 HG11 VAL A 29 11.778 1.778 -0.323 1.00 0.00 H new ATOM 0 HG12 VAL A 29 10.828 1.823 1.181 1.00 0.00 H new ATOM 0 HG13 VAL A 29 10.060 2.239 -0.369 1.00 0.00 H new ATOM 0 HG21 VAL A 29 12.471 3.873 -1.436 1.00 0.00 H new ATOM 0 HG22 VAL A 29 10.792 4.453 -1.545 1.00 0.00 H new ATOM 0 HG23 VAL A 29 12.029 5.453 -0.747 1.00 0.00 H new ATOM 442 N VAL A 30 8.556 3.623 2.596 1.00 0.00 N ATOM 443 CA VAL A 30 8.019 2.985 3.785 1.00 0.00 C ATOM 444 C VAL A 30 7.923 1.476 3.549 1.00 0.00 C ATOM 445 O VAL A 30 7.855 1.026 2.407 1.00 0.00 O ATOM 446 CB VAL A 30 6.678 3.618 4.159 1.00 0.00 C ATOM 447 CG1 VAL A 30 6.882 4.980 4.826 1.00 0.00 C ATOM 448 CG2 VAL A 30 5.768 3.738 2.934 1.00 0.00 C ATOM 0 H VAL A 30 7.858 3.877 1.897 1.00 0.00 H new ATOM 0 HA VAL A 30 8.684 3.140 4.635 1.00 0.00 H new ATOM 0 HB VAL A 30 6.187 2.963 4.878 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.913 5.409 5.082 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.475 4.856 5.732 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.404 5.647 4.140 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.821 4.191 3.227 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.251 4.361 2.182 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.583 2.747 2.520 1.00 0.00 H new ATOM 458 N ARG A 31 7.921 0.737 4.649 1.00 0.00 N ATOM 459 CA ARG A 31 7.834 -0.712 4.576 1.00 0.00 C ATOM 460 C ARG A 31 6.547 -1.201 5.244 1.00 0.00 C ATOM 461 O ARG A 31 6.081 -0.603 6.213 1.00 0.00 O ATOM 462 CB ARG A 31 9.036 -1.371 5.257 1.00 0.00 C ATOM 463 CG ARG A 31 9.281 -2.774 4.699 1.00 0.00 C ATOM 464 CD ARG A 31 10.567 -2.818 3.871 1.00 0.00 C ATOM 465 NE ARG A 31 11.597 -3.612 4.578 1.00 0.00 N ATOM 466 CZ ARG A 31 12.776 -3.957 4.044 1.00 0.00 C ATOM 467 NH1 ARG A 31 13.083 -3.580 2.795 1.00 0.00 N ATOM 468 NH2 ARG A 31 13.650 -4.678 4.760 1.00 0.00 N ATOM 0 H ARG A 31 7.978 1.114 5.595 1.00 0.00 H new ATOM 0 HA ARG A 31 7.829 -0.991 3.522 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.924 -0.757 5.109 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.863 -1.428 6.332 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.348 -3.489 5.519 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.436 -3.076 4.081 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.365 -3.257 2.894 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.932 -1.806 3.697 1.00 0.00 H new ATOM 0 HE ARG A 31 11.396 -3.915 5.531 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.419 -3.030 2.250 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.981 -3.843 2.389 1.00 0.00 H new ATOM 0 HH21 ARG A 31 13.417 -4.964 5.711 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.548 -4.941 4.354 1.00 0.00 H new ATOM 482 N ILE A 32 6.010 -2.283 4.700 1.00 0.00 N ATOM 483 CA ILE A 32 4.786 -2.858 5.231 1.00 0.00 C ATOM 484 C ILE A 32 4.963 -4.371 5.382 1.00 0.00 C ATOM 485 O ILE A 32 5.465 -5.034 4.476 1.00 0.00 O ATOM 486 CB ILE A 32 3.588 -2.463 4.365 1.00 0.00 C ATOM 487 CG1 ILE A 32 3.562 -0.953 4.121 1.00 0.00 C ATOM 488 CG2 ILE A 32 2.279 -2.967 4.977 1.00 0.00 C ATOM 489 CD1 ILE A 32 2.244 -0.524 3.475 1.00 0.00 C ATOM 0 H ILE A 32 6.400 -2.777 3.897 1.00 0.00 H new ATOM 0 HA ILE A 32 4.577 -2.459 6.224 1.00 0.00 H new ATOM 0 HB ILE A 32 3.696 -2.945 3.393 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.696 -0.426 5.066 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.395 -0.671 3.477 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.443 -2.673 4.342 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.309 -4.054 5.057 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.151 -2.534 5.969 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.252 0.554 3.313 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.124 -1.034 2.519 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.415 -0.786 4.132 1.00 0.00 H new ATOM 501 N SER A 33 4.541 -4.871 6.534 1.00 0.00 N ATOM 502 CA SER A 33 4.646 -6.293 6.815 1.00 0.00 C ATOM 503 C SER A 33 3.257 -6.878 7.080 1.00 0.00 C ATOM 504 O SER A 33 2.455 -6.282 7.798 1.00 0.00 O ATOM 505 CB SER A 33 5.567 -6.551 8.009 1.00 0.00 C ATOM 506 OG SER A 33 5.433 -5.550 9.014 1.00 0.00 O ATOM 0 H SER A 33 4.126 -4.317 7.283 1.00 0.00 H new ATOM 0 HA SER A 33 5.079 -6.783 5.943 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.340 -7.527 8.437 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.602 -6.586 7.668 1.00 0.00 H new ATOM 0 HG SER A 33 6.036 -5.752 9.759 1.00 0.00 H new ATOM 512 N ALA A 34 3.016 -8.038 6.487 1.00 0.00 N ATOM 513 CA ALA A 34 1.739 -8.710 6.650 1.00 0.00 C ATOM 514 C ALA A 34 1.778 -10.054 5.920 1.00 0.00 C ATOM 515 O ALA A 34 2.650 -10.286 5.084 1.00 0.00 O ATOM 516 CB ALA A 34 0.616 -7.804 6.142 1.00 0.00 C ATOM 0 H ALA A 34 3.684 -8.529 5.893 1.00 0.00 H new ATOM 0 HA ALA A 34 1.544 -8.912 7.703 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.342 -8.309 6.265 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.612 -6.875 6.712 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.777 -7.582 5.087 1.00 0.00 H new ATOM 522 N LYS A 35 0.821 -10.905 6.261 1.00 0.00 N ATOM 523 CA LYS A 35 0.735 -12.220 5.649 1.00 0.00 C ATOM 524 C LYS A 35 0.623 -12.064 4.131 1.00 0.00 C ATOM 525 O LYS A 35 0.084 -11.072 3.643 1.00 0.00 O ATOM 526 CB LYS A 35 -0.407 -13.027 6.270 1.00 0.00 C ATOM 527 CG LYS A 35 -1.666 -12.171 6.419 1.00 0.00 C ATOM 528 CD LYS A 35 -1.895 -11.783 7.881 1.00 0.00 C ATOM 529 CE LYS A 35 -2.013 -10.266 8.034 1.00 0.00 C ATOM 530 NZ LYS A 35 -1.333 -9.815 9.269 1.00 0.00 N ATOM 0 H LYS A 35 0.098 -10.709 6.954 1.00 0.00 H new ATOM 0 HA LYS A 35 1.642 -12.792 5.846 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.625 -13.895 5.647 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.102 -13.404 7.246 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.573 -11.271 5.811 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.530 -12.720 6.045 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.803 -12.261 8.250 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.070 -12.151 8.492 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.572 -9.772 7.168 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.064 -9.978 8.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.423 -8.783 9.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.771 -10.273 10.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.326 -10.072 9.225 1.00 0.00 H new ATOM 544 N PRO A 36 1.155 -13.086 3.407 1.00 0.00 N ATOM 545 CA PRO A 36 1.119 -13.072 1.955 1.00 0.00 C ATOM 546 C PRO A 36 -0.285 -13.390 1.437 1.00 0.00 C ATOM 547 O PRO A 36 -0.871 -12.600 0.698 1.00 0.00 O ATOM 548 CB PRO A 36 2.157 -14.097 1.526 1.00 0.00 C ATOM 549 CG PRO A 36 2.401 -14.976 2.742 1.00 0.00 C ATOM 550 CD PRO A 36 1.801 -14.277 3.951 1.00 0.00 C ATOM 0 HA PRO A 36 1.350 -12.092 1.538 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.798 -14.687 0.683 1.00 0.00 H new ATOM 0 HB3 PRO A 36 3.078 -13.610 1.205 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.945 -15.956 2.602 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.469 -15.139 2.887 1.00 0.00 H new ATOM 0 HD2 PRO A 36 1.083 -14.918 4.463 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.569 -14.014 4.678 1.00 0.00 H new ATOM 558 N THR A 37 -0.783 -14.547 1.846 1.00 0.00 N ATOM 559 CA THR A 37 -2.108 -14.979 1.432 1.00 0.00 C ATOM 560 C THR A 37 -3.063 -13.786 1.372 1.00 0.00 C ATOM 561 O THR A 37 -3.687 -13.537 0.341 1.00 0.00 O ATOM 562 CB THR A 37 -2.567 -16.078 2.392 1.00 0.00 C ATOM 563 OG1 THR A 37 -2.373 -15.513 3.686 1.00 0.00 O ATOM 564 CG2 THR A 37 -1.641 -17.296 2.376 1.00 0.00 C ATOM 0 H THR A 37 -0.294 -15.199 2.459 1.00 0.00 H new ATOM 0 HA THR A 37 -2.093 -15.393 0.424 1.00 0.00 H new ATOM 0 HB THR A 37 -3.579 -16.388 2.130 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.648 -16.159 4.370 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.013 -18.045 3.075 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.613 -17.719 1.372 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.636 -16.993 2.670 1.00 0.00 H new ATOM 572 N LYS A 38 -3.149 -13.080 2.490 1.00 0.00 N ATOM 573 CA LYS A 38 -4.018 -11.919 2.577 1.00 0.00 C ATOM 574 C LYS A 38 -3.913 -11.110 1.283 1.00 0.00 C ATOM 575 O LYS A 38 -2.954 -11.262 0.528 1.00 0.00 O ATOM 576 CB LYS A 38 -3.704 -11.108 3.836 1.00 0.00 C ATOM 577 CG LYS A 38 -4.960 -10.907 4.686 1.00 0.00 C ATOM 578 CD LYS A 38 -4.905 -9.576 5.440 1.00 0.00 C ATOM 579 CE LYS A 38 -5.530 -9.708 6.830 1.00 0.00 C ATOM 580 NZ LYS A 38 -5.431 -8.427 7.566 1.00 0.00 N ATOM 0 H LYS A 38 -2.631 -13.290 3.343 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.058 -12.229 2.676 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.942 -11.621 4.423 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.292 -10.139 3.555 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.843 -10.931 4.048 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.058 -11.728 5.397 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.869 -9.249 5.532 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.432 -8.810 4.872 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.576 -10.002 6.739 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.025 -10.496 7.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.224 -8.349 8.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.533 -8.396 8.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.467 -7.636 6.892 1.00 0.00 H new ATOM 594 N ARG A 39 -4.912 -10.268 1.066 1.00 0.00 N ATOM 595 CA ARG A 39 -4.944 -9.435 -0.124 1.00 0.00 C ATOM 596 C ARG A 39 -4.136 -8.155 0.102 1.00 0.00 C ATOM 597 O ARG A 39 -3.514 -7.986 1.150 1.00 0.00 O ATOM 598 CB ARG A 39 -6.380 -9.063 -0.497 1.00 0.00 C ATOM 599 CG ARG A 39 -7.117 -10.260 -1.101 1.00 0.00 C ATOM 600 CD ARG A 39 -8.501 -9.852 -1.612 1.00 0.00 C ATOM 601 NE ARG A 39 -9.470 -10.946 -1.377 1.00 0.00 N ATOM 602 CZ ARG A 39 -10.755 -10.905 -1.755 1.00 0.00 C ATOM 603 NH1 ARG A 39 -11.233 -9.824 -2.388 1.00 0.00 N ATOM 604 NH2 ARG A 39 -11.562 -11.943 -1.500 1.00 0.00 N ATOM 0 H ARG A 39 -5.706 -10.144 1.694 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.504 -10.007 -0.941 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.911 -8.714 0.389 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.372 -8.239 -1.210 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.531 -10.676 -1.920 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.219 -11.045 -0.351 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.833 -8.946 -1.105 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.451 -9.621 -2.676 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.139 -11.783 -0.897 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -10.619 -9.033 -2.582 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -12.211 -9.792 -2.676 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -11.199 -12.765 -1.018 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -12.540 -11.911 -1.788 1.00 0.00 H new ATOM 618 N LEU A 40 -4.171 -7.287 -0.898 1.00 0.00 N ATOM 619 CA LEU A 40 -3.449 -6.028 -0.822 1.00 0.00 C ATOM 620 C LEU A 40 -4.305 -4.999 -0.080 1.00 0.00 C ATOM 621 O LEU A 40 -3.780 -4.039 0.481 1.00 0.00 O ATOM 622 CB LEU A 40 -3.014 -5.575 -2.217 1.00 0.00 C ATOM 623 CG LEU A 40 -1.527 -5.737 -2.541 1.00 0.00 C ATOM 624 CD1 LEU A 40 -1.293 -5.737 -4.053 1.00 0.00 C ATOM 625 CD2 LEU A 40 -0.692 -4.670 -1.831 1.00 0.00 C ATOM 0 H LEU A 40 -4.688 -7.430 -1.765 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.529 -6.150 -0.251 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.589 -6.134 -2.955 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.279 -4.524 -2.335 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.198 -6.706 -2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.229 -5.853 -4.256 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.841 -6.563 -4.506 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.642 -4.795 -4.475 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.361 -4.808 -2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.014 -3.680 -2.155 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.826 -4.760 -0.753 1.00 0.00 H new ATOM 637 N GLN A 41 -5.608 -5.235 -0.101 1.00 0.00 N ATOM 638 CA GLN A 41 -6.542 -4.340 0.562 1.00 0.00 C ATOM 639 C GLN A 41 -6.719 -4.749 2.026 1.00 0.00 C ATOM 640 O GLN A 41 -6.853 -3.895 2.901 1.00 0.00 O ATOM 641 CB GLN A 41 -7.887 -4.313 -0.167 1.00 0.00 C ATOM 642 CG GLN A 41 -8.755 -5.506 0.239 1.00 0.00 C ATOM 643 CD GLN A 41 -9.828 -5.785 -0.815 1.00 0.00 C ATOM 644 OE1 GLN A 41 -9.587 -5.747 -2.010 1.00 0.00 O ATOM 645 NE2 GLN A 41 -11.024 -6.069 -0.306 1.00 0.00 N ATOM 0 H GLN A 41 -6.040 -6.033 -0.567 1.00 0.00 H new ATOM 0 HA GLN A 41 -6.131 -3.331 0.534 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.410 -3.384 0.061 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.721 -4.329 -1.244 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.129 -6.389 0.369 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.228 -5.306 1.201 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.157 -6.084 0.705 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.807 -6.272 -0.927 1.00 0.00 H new ATOM 654 N GLU A 42 -6.715 -6.056 2.247 1.00 0.00 N ATOM 655 CA GLU A 42 -6.874 -6.588 3.589 1.00 0.00 C ATOM 656 C GLU A 42 -5.589 -6.387 4.395 1.00 0.00 C ATOM 657 O GLU A 42 -5.624 -6.338 5.624 1.00 0.00 O ATOM 658 CB GLU A 42 -7.271 -8.065 3.550 1.00 0.00 C ATOM 659 CG GLU A 42 -8.513 -8.276 2.681 1.00 0.00 C ATOM 660 CD GLU A 42 -9.770 -8.406 3.544 1.00 0.00 C ATOM 661 OE1 GLU A 42 -9.641 -8.968 4.653 1.00 0.00 O ATOM 662 OE2 GLU A 42 -10.831 -7.942 3.075 1.00 0.00 O ATOM 0 H GLU A 42 -6.604 -6.762 1.519 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.679 -6.042 4.082 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.444 -8.657 3.159 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.466 -8.420 4.562 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.626 -7.439 1.992 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.389 -9.173 2.075 1.00 0.00 H new ATOM 669 N ALA A 43 -4.485 -6.277 3.671 1.00 0.00 N ATOM 670 CA ALA A 43 -3.191 -6.082 4.304 1.00 0.00 C ATOM 671 C ALA A 43 -2.964 -4.588 4.542 1.00 0.00 C ATOM 672 O ALA A 43 -2.214 -4.206 5.438 1.00 0.00 O ATOM 673 CB ALA A 43 -2.099 -6.707 3.434 1.00 0.00 C ATOM 0 H ALA A 43 -4.459 -6.319 2.652 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.159 -6.578 5.274 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.128 -6.561 3.908 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.291 -7.774 3.320 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.099 -6.232 2.453 1.00 0.00 H new ATOM 679 N LEU A 44 -3.626 -3.784 3.723 1.00 0.00 N ATOM 680 CA LEU A 44 -3.506 -2.340 3.833 1.00 0.00 C ATOM 681 C LEU A 44 -4.652 -1.801 4.690 1.00 0.00 C ATOM 682 O LEU A 44 -4.599 -0.666 5.162 1.00 0.00 O ATOM 683 CB LEU A 44 -3.423 -1.702 2.445 1.00 0.00 C ATOM 684 CG LEU A 44 -2.164 -2.018 1.635 1.00 0.00 C ATOM 685 CD1 LEU A 44 -1.195 -0.834 1.643 1.00 0.00 C ATOM 686 CD2 LEU A 44 -1.501 -3.304 2.132 1.00 0.00 C ATOM 0 H LEU A 44 -4.247 -4.105 2.980 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.578 -2.072 4.337 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.291 -2.020 1.868 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.495 -0.620 2.559 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.458 -2.186 0.599 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.309 -1.085 1.060 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.682 0.038 1.206 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.903 -0.610 2.669 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.609 -3.506 1.539 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.223 -3.188 3.180 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.199 -4.135 2.032 1.00 0.00 H new ATOM 698 N GLN A 45 -5.663 -2.640 4.866 1.00 0.00 N ATOM 699 CA GLN A 45 -6.820 -2.262 5.658 1.00 0.00 C ATOM 700 C GLN A 45 -6.381 -1.774 7.041 1.00 0.00 C ATOM 701 O GLN A 45 -6.802 -0.709 7.489 1.00 0.00 O ATOM 702 CB GLN A 45 -7.808 -3.424 5.775 1.00 0.00 C ATOM 703 CG GLN A 45 -9.009 -3.219 4.849 1.00 0.00 C ATOM 704 CD GLN A 45 -10.291 -3.001 5.654 1.00 0.00 C ATOM 705 OE1 GLN A 45 -10.950 -3.933 6.084 1.00 0.00 O ATOM 706 NE2 GLN A 45 -10.608 -1.722 5.832 1.00 0.00 N ATOM 0 H GLN A 45 -5.704 -3.580 4.473 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.331 -1.444 5.151 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -7.307 -4.359 5.524 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.150 -3.512 6.806 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.831 -2.360 4.202 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -9.126 -4.088 4.201 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -10.012 -0.990 5.445 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.447 -1.473 6.356 1.00 0.00 H new ATOM 715 N PRO A 46 -5.519 -2.598 7.694 1.00 0.00 N ATOM 716 CA PRO A 46 -5.019 -2.262 9.016 1.00 0.00 C ATOM 717 C PRO A 46 -3.960 -1.160 8.937 1.00 0.00 C ATOM 718 O PRO A 46 -3.459 -0.702 9.963 1.00 0.00 O ATOM 719 CB PRO A 46 -4.477 -3.568 9.575 1.00 0.00 C ATOM 720 CG PRO A 46 -4.270 -4.480 8.377 1.00 0.00 C ATOM 721 CD PRO A 46 -5.000 -3.868 7.193 1.00 0.00 C ATOM 0 HA PRO A 46 -5.792 -1.856 9.668 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.541 -3.406 10.109 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.176 -4.009 10.285 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.208 -4.586 8.157 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.653 -5.479 8.587 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.328 -3.716 6.349 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.805 -4.516 6.846 1.00 0.00 H new ATOM 729 N ILE A 47 -3.651 -0.767 7.710 1.00 0.00 N ATOM 730 CA ILE A 47 -2.661 0.272 7.484 1.00 0.00 C ATOM 731 C ILE A 47 -3.373 1.596 7.202 1.00 0.00 C ATOM 732 O ILE A 47 -3.032 2.625 7.782 1.00 0.00 O ATOM 733 CB ILE A 47 -1.684 -0.148 6.384 1.00 0.00 C ATOM 734 CG1 ILE A 47 -0.740 -1.246 6.879 1.00 0.00 C ATOM 735 CG2 ILE A 47 -0.921 1.060 5.837 1.00 0.00 C ATOM 736 CD1 ILE A 47 -0.033 -0.822 8.168 1.00 0.00 C ATOM 0 H ILE A 47 -4.069 -1.150 6.862 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.054 0.420 8.377 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.259 -0.566 5.558 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.303 -2.163 7.054 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.000 -1.468 6.110 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.234 0.733 5.057 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.627 1.778 5.421 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.358 1.530 6.643 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.632 -1.620 8.498 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.548 0.081 7.984 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.775 -0.624 8.942 1.00 0.00 H new ATOM 748 N LEU A 48 -4.350 1.527 6.309 1.00 0.00 N ATOM 749 CA LEU A 48 -5.114 2.707 5.942 1.00 0.00 C ATOM 750 C LEU A 48 -5.846 3.239 7.176 1.00 0.00 C ATOM 751 O LEU A 48 -5.869 4.446 7.416 1.00 0.00 O ATOM 752 CB LEU A 48 -6.038 2.402 4.762 1.00 0.00 C ATOM 753 CG LEU A 48 -5.364 1.839 3.510 1.00 0.00 C ATOM 754 CD1 LEU A 48 -6.385 1.161 2.594 1.00 0.00 C ATOM 755 CD2 LEU A 48 -4.570 2.924 2.779 1.00 0.00 C ATOM 0 H LEU A 48 -4.630 0.672 5.829 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.449 3.500 5.599 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.795 1.691 5.093 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.560 3.319 4.488 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.653 1.074 3.821 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.879 0.770 1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.867 0.342 3.129 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.138 1.887 2.288 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.101 2.497 1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.242 3.729 2.482 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.800 3.320 3.441 1.00 0.00 H new ATOM 767 N ALA A 49 -6.426 2.314 7.925 1.00 0.00 N ATOM 768 CA ALA A 49 -7.157 2.675 9.128 1.00 0.00 C ATOM 769 C ALA A 49 -6.194 3.305 10.135 1.00 0.00 C ATOM 770 O ALA A 49 -6.576 4.201 10.888 1.00 0.00 O ATOM 771 CB ALA A 49 -7.860 1.436 9.689 1.00 0.00 C ATOM 0 H ALA A 49 -6.405 1.315 7.723 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.927 3.413 8.903 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.408 1.706 10.591 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.554 1.044 8.946 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.118 0.674 9.930 1.00 0.00 H new ATOM 777 N LYS A 50 -4.964 2.814 10.117 1.00 0.00 N ATOM 778 CA LYS A 50 -3.943 3.318 11.020 1.00 0.00 C ATOM 779 C LYS A 50 -3.304 4.568 10.412 1.00 0.00 C ATOM 780 O LYS A 50 -2.479 5.221 11.050 1.00 0.00 O ATOM 781 CB LYS A 50 -2.937 2.217 11.361 1.00 0.00 C ATOM 782 CG LYS A 50 -2.858 1.996 12.873 1.00 0.00 C ATOM 783 CD LYS A 50 -3.971 1.061 13.350 1.00 0.00 C ATOM 784 CE LYS A 50 -3.409 -0.054 14.234 1.00 0.00 C ATOM 785 NZ LYS A 50 -4.460 -0.580 15.134 1.00 0.00 N ATOM 0 H LYS A 50 -4.651 2.072 9.491 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.388 3.616 11.970 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.227 1.289 10.869 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.953 2.487 10.977 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.887 1.573 13.132 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.937 2.953 13.389 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.716 1.630 13.906 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.479 0.626 12.489 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.019 -0.859 13.611 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.574 0.326 14.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.062 -1.336 15.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.813 0.187 15.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.244 -0.961 14.567 1.00 0.00 H new ATOM 799 N HIS A 51 -3.708 4.864 9.185 1.00 0.00 N ATOM 800 CA HIS A 51 -3.184 6.024 8.484 1.00 0.00 C ATOM 801 C HIS A 51 -4.336 6.957 8.105 1.00 0.00 C ATOM 802 O HIS A 51 -4.138 7.929 7.378 1.00 0.00 O ATOM 803 CB HIS A 51 -2.345 5.597 7.278 1.00 0.00 C ATOM 804 CG HIS A 51 -1.010 4.992 7.642 1.00 0.00 C ATOM 805 ND1 HIS A 51 -0.755 3.634 7.561 1.00 0.00 N ATOM 806 CD2 HIS A 51 0.140 5.574 8.088 1.00 0.00 C ATOM 807 CE1 HIS A 51 0.494 3.419 7.945 1.00 0.00 C ATOM 808 NE2 HIS A 51 1.047 4.623 8.272 1.00 0.00 N ATOM 0 H HIS A 51 -4.392 4.321 8.659 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.514 6.579 9.141 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -2.912 4.874 6.691 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -2.177 6.464 6.640 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -1.417 2.920 7.257 1.00 0.00 H new ATOM 0 HD2 HIS A 51 0.287 6.630 8.262 1.00 0.00 H new ATOM 0 HE1 HIS A 51 0.988 2.460 7.991 1.00 0.00 H new ATOM 816 N GLY A 52 -5.514 6.627 8.613 1.00 0.00 N ATOM 817 CA GLY A 52 -6.698 7.423 8.336 1.00 0.00 C ATOM 818 C GLY A 52 -7.010 7.440 6.839 1.00 0.00 C ATOM 819 O GLY A 52 -7.811 8.251 6.377 1.00 0.00 O ATOM 0 H GLY A 52 -5.674 5.819 9.215 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.549 7.018 8.884 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.546 8.442 8.691 1.00 0.00 H new ATOM 823 N LEU A 53 -6.360 6.535 6.121 1.00 0.00 N ATOM 824 CA LEU A 53 -6.558 6.435 4.685 1.00 0.00 C ATOM 825 C LEU A 53 -7.681 5.437 4.398 1.00 0.00 C ATOM 826 O LEU A 53 -8.436 5.070 5.297 1.00 0.00 O ATOM 827 CB LEU A 53 -5.241 6.097 3.985 1.00 0.00 C ATOM 828 CG LEU A 53 -4.069 7.039 4.269 1.00 0.00 C ATOM 829 CD1 LEU A 53 -2.766 6.483 3.692 1.00 0.00 C ATOM 830 CD2 LEU A 53 -4.365 8.451 3.760 1.00 0.00 C ATOM 0 H LEU A 53 -5.696 5.864 6.507 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.872 7.395 4.276 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.948 5.088 4.273 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.417 6.083 2.909 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.939 7.107 5.349 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.949 7.172 3.908 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.552 5.514 4.143 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.866 6.366 2.613 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.516 9.100 3.974 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.537 8.421 2.684 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.253 8.839 4.258 1.00 0.00 H new ATOM 842 N SER A 54 -7.757 5.026 3.141 1.00 0.00 N ATOM 843 CA SER A 54 -8.775 4.077 2.723 1.00 0.00 C ATOM 844 C SER A 54 -8.312 3.328 1.473 1.00 0.00 C ATOM 845 O SER A 54 -7.170 3.481 1.040 1.00 0.00 O ATOM 846 CB SER A 54 -10.108 4.781 2.457 1.00 0.00 C ATOM 847 OG SER A 54 -11.034 4.591 3.522 1.00 0.00 O ATOM 0 H SER A 54 -7.130 5.333 2.398 1.00 0.00 H new ATOM 0 HA SER A 54 -8.927 3.361 3.531 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.933 5.847 2.315 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.539 4.403 1.530 1.00 0.00 H new ATOM 0 HG SER A 54 -10.570 4.685 4.380 1.00 0.00 H new ATOM 853 N LEU A 55 -9.220 2.533 0.927 1.00 0.00 N ATOM 854 CA LEU A 55 -8.919 1.759 -0.265 1.00 0.00 C ATOM 855 C LEU A 55 -9.492 2.474 -1.491 1.00 0.00 C ATOM 856 O LEU A 55 -9.026 2.265 -2.610 1.00 0.00 O ATOM 857 CB LEU A 55 -9.410 0.319 -0.108 1.00 0.00 C ATOM 858 CG LEU A 55 -8.798 -0.476 1.047 1.00 0.00 C ATOM 859 CD1 LEU A 55 -9.761 -1.559 1.538 1.00 0.00 C ATOM 860 CD2 LEU A 55 -7.437 -1.055 0.654 1.00 0.00 C ATOM 0 H LEU A 55 -10.166 2.408 1.289 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.841 1.689 -0.411 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.492 0.337 0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.210 -0.215 -1.037 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.629 0.207 1.880 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.302 -2.109 2.359 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -10.685 -1.095 1.884 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.984 -2.245 0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.024 -1.615 1.493 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.558 -1.719 -0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.759 -0.243 0.391 1.00 0.00 H new ATOM 872 N ASP A 56 -10.494 3.303 -1.238 1.00 0.00 N ATOM 873 CA ASP A 56 -11.136 4.050 -2.306 1.00 0.00 C ATOM 874 C ASP A 56 -10.622 5.491 -2.294 1.00 0.00 C ATOM 875 O ASP A 56 -11.330 6.409 -2.707 1.00 0.00 O ATOM 876 CB ASP A 56 -12.653 4.087 -2.118 1.00 0.00 C ATOM 877 CG ASP A 56 -13.463 4.189 -3.412 1.00 0.00 C ATOM 878 OD1 ASP A 56 -13.555 5.320 -3.936 1.00 0.00 O ATOM 879 OD2 ASP A 56 -13.972 3.134 -3.848 1.00 0.00 O ATOM 0 H ASP A 56 -10.877 3.474 -0.308 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.902 3.557 -3.250 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.960 3.187 -1.585 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.905 4.936 -1.482 1.00 0.00 H new ATOM 884 N GLN A 57 -9.396 5.645 -1.817 1.00 0.00 N ATOM 885 CA GLN A 57 -8.780 6.959 -1.746 1.00 0.00 C ATOM 886 C GLN A 57 -7.400 6.935 -2.406 1.00 0.00 C ATOM 887 O GLN A 57 -7.174 7.615 -3.405 1.00 0.00 O ATOM 888 CB GLN A 57 -8.687 7.443 -0.298 1.00 0.00 C ATOM 889 CG GLN A 57 -10.079 7.640 0.305 1.00 0.00 C ATOM 890 CD GLN A 57 -10.764 8.874 -0.286 1.00 0.00 C ATOM 891 OE1 GLN A 57 -10.299 9.994 -0.158 1.00 0.00 O ATOM 892 NE2 GLN A 57 -11.892 8.606 -0.938 1.00 0.00 N ATOM 0 H GLN A 57 -8.812 4.881 -1.476 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.409 7.663 -2.290 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -8.129 6.719 0.296 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -8.134 8.381 -0.259 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.689 6.756 0.117 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -9.999 7.748 1.387 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -12.225 7.644 -1.007 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -12.424 9.362 -1.369 1.00 0.00 H new ATOM 901 N VAL A 58 -6.513 6.143 -1.820 1.00 0.00 N ATOM 902 CA VAL A 58 -5.161 6.022 -2.339 1.00 0.00 C ATOM 903 C VAL A 58 -5.192 5.234 -3.650 1.00 0.00 C ATOM 904 O VAL A 58 -6.245 4.752 -4.065 1.00 0.00 O ATOM 905 CB VAL A 58 -4.251 5.390 -1.284 1.00 0.00 C ATOM 906 CG1 VAL A 58 -4.298 6.181 0.025 1.00 0.00 C ATOM 907 CG2 VAL A 58 -4.617 3.923 -1.051 1.00 0.00 C ATOM 0 H VAL A 58 -6.704 5.579 -0.992 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.747 7.006 -2.560 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.229 5.424 -1.660 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.643 5.711 0.758 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.966 7.203 -0.156 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.319 6.193 0.406 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.955 3.498 -0.297 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.649 3.856 -0.707 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.508 3.368 -1.983 1.00 0.00 H new ATOM 917 N VAL A 59 -4.024 5.128 -4.267 1.00 0.00 N ATOM 918 CA VAL A 59 -3.904 4.408 -5.523 1.00 0.00 C ATOM 919 C VAL A 59 -2.562 3.674 -5.559 1.00 0.00 C ATOM 920 O VAL A 59 -1.511 4.300 -5.687 1.00 0.00 O ATOM 921 CB VAL A 59 -4.091 5.370 -6.698 1.00 0.00 C ATOM 922 CG1 VAL A 59 -3.918 4.644 -8.034 1.00 0.00 C ATOM 923 CG2 VAL A 59 -5.450 6.068 -6.625 1.00 0.00 C ATOM 0 H VAL A 59 -3.153 5.529 -3.920 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.688 3.656 -5.608 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.318 6.135 -6.630 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.056 5.350 -8.853 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.917 4.216 -8.089 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.658 3.847 -8.114 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.557 6.746 -7.472 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.244 5.322 -6.655 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.519 6.634 -5.696 1.00 0.00 H new ATOM 933 N LEU A 60 -2.641 2.357 -5.443 1.00 0.00 N ATOM 934 CA LEU A 60 -1.446 1.531 -5.460 1.00 0.00 C ATOM 935 C LEU A 60 -1.107 1.162 -6.906 1.00 0.00 C ATOM 936 O LEU A 60 -1.974 0.717 -7.656 1.00 0.00 O ATOM 937 CB LEU A 60 -1.617 0.320 -4.541 1.00 0.00 C ATOM 938 CG LEU A 60 -0.330 -0.270 -3.961 1.00 0.00 C ATOM 939 CD1 LEU A 60 0.122 0.509 -2.724 1.00 0.00 C ATOM 940 CD2 LEU A 60 -0.494 -1.763 -3.671 1.00 0.00 C ATOM 0 H LEU A 60 -3.514 1.841 -5.337 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.595 2.085 -5.063 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.267 0.606 -3.714 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.134 -0.463 -5.097 1.00 0.00 H new ATOM 0 HG LEU A 60 0.458 -0.172 -4.708 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.039 0.069 -2.332 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.306 1.548 -2.996 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.656 0.465 -1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.435 -2.158 -3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.300 -1.908 -2.951 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.734 -2.289 -4.595 1.00 0.00 H new ATOM 952 N HIS A 61 0.156 1.359 -7.253 1.00 0.00 N ATOM 953 CA HIS A 61 0.620 1.053 -8.596 1.00 0.00 C ATOM 954 C HIS A 61 2.148 1.125 -8.640 1.00 0.00 C ATOM 955 O HIS A 61 2.734 2.156 -8.313 1.00 0.00 O ATOM 956 CB HIS A 61 -0.047 1.969 -9.623 1.00 0.00 C ATOM 957 CG HIS A 61 0.474 3.387 -9.612 1.00 0.00 C ATOM 958 ND1 HIS A 61 1.116 3.958 -10.697 1.00 0.00 N ATOM 959 CD2 HIS A 61 0.441 4.341 -8.638 1.00 0.00 C ATOM 960 CE1 HIS A 61 1.450 5.200 -10.378 1.00 0.00 C ATOM 961 NE2 HIS A 61 1.031 5.435 -9.101 1.00 0.00 N ATOM 0 H HIS A 61 0.873 1.727 -6.628 1.00 0.00 H new ATOM 0 HA HIS A 61 0.331 0.036 -8.862 1.00 0.00 H new ATOM 0 HB2 HIS A 61 0.097 1.548 -10.618 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -1.121 1.986 -9.436 1.00 0.00 H new ATOM 0 HD2 HIS A 61 0.008 4.225 -7.656 1.00 0.00 H new ATOM 0 HE1 HIS A 61 1.964 5.903 -11.017 1.00 0.00 H new ATOM 0 HE2 HIS A 61 1.152 6.308 -8.587 1.00 0.00 H new ATOM 969 N ARG A 62 2.750 0.017 -9.046 1.00 0.00 N ATOM 970 CA ARG A 62 4.198 -0.058 -9.137 1.00 0.00 C ATOM 971 C ARG A 62 4.753 1.195 -9.817 1.00 0.00 C ATOM 972 O ARG A 62 4.043 1.865 -10.567 1.00 0.00 O ATOM 973 CB ARG A 62 4.637 -1.294 -9.925 1.00 0.00 C ATOM 974 CG ARG A 62 4.500 -2.561 -9.078 1.00 0.00 C ATOM 975 CD ARG A 62 3.702 -3.634 -9.821 1.00 0.00 C ATOM 976 NE ARG A 62 3.996 -4.968 -9.253 1.00 0.00 N ATOM 977 CZ ARG A 62 3.600 -6.124 -9.804 1.00 0.00 C ATOM 978 NH1 ARG A 62 2.890 -6.115 -10.940 1.00 0.00 N ATOM 979 NH2 ARG A 62 3.913 -7.288 -9.218 1.00 0.00 N ATOM 0 H ARG A 62 2.261 -0.837 -9.316 1.00 0.00 H new ATOM 0 HA ARG A 62 4.591 -0.129 -8.123 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.033 -1.388 -10.827 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.672 -1.177 -10.246 1.00 0.00 H new ATOM 0 HG2 ARG A 62 5.489 -2.945 -8.830 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.005 -2.322 -8.137 1.00 0.00 H new ATOM 0 HD2 ARG A 62 2.635 -3.424 -9.744 1.00 0.00 H new ATOM 0 HD3 ARG A 62 3.954 -3.618 -10.881 1.00 0.00 H new ATOM 0 HE ARG A 62 4.534 -5.011 -8.387 1.00 0.00 H new ATOM 0 HH11 ARG A 62 2.651 -5.229 -11.385 1.00 0.00 H new ATOM 0 HH12 ARG A 62 2.588 -6.994 -11.360 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.453 -7.294 -8.352 1.00 0.00 H new ATOM 0 HH22 ARG A 62 3.611 -8.167 -9.638 1.00 0.00 H new ATOM 1111 N LEU A 71 -5.851 -4.497 -5.739 1.00 0.00 N ATOM 1112 CA LEU A 71 -5.598 -4.975 -4.390 1.00 0.00 C ATOM 1113 C LEU A 71 -6.006 -6.446 -4.290 1.00 0.00 C ATOM 1114 O LEU A 71 -5.427 -7.203 -3.513 1.00 0.00 O ATOM 1115 CB LEU A 71 -6.289 -4.074 -3.365 1.00 0.00 C ATOM 1116 CG LEU A 71 -5.901 -2.594 -3.403 1.00 0.00 C ATOM 1117 CD1 LEU A 71 -7.121 -1.701 -3.172 1.00 0.00 C ATOM 1118 CD2 LEU A 71 -4.777 -2.297 -2.408 1.00 0.00 C ATOM 0 HA LEU A 71 -4.534 -4.923 -4.160 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.366 -4.151 -3.511 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.074 -4.460 -2.368 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.519 -2.366 -4.398 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.817 -0.655 -3.204 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.861 -1.888 -3.950 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.555 -1.923 -2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.520 -1.239 -2.455 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.108 -2.546 -1.400 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.901 -2.895 -2.660 1.00 0.00 H new ATOM 1130 N GLU A 72 -7.001 -6.807 -5.088 1.00 0.00 N ATOM 1131 CA GLU A 72 -7.493 -8.174 -5.098 1.00 0.00 C ATOM 1132 C GLU A 72 -6.325 -9.159 -5.023 1.00 0.00 C ATOM 1133 O GLU A 72 -6.467 -10.256 -4.484 1.00 0.00 O ATOM 1134 CB GLU A 72 -8.353 -8.437 -6.336 1.00 0.00 C ATOM 1135 CG GLU A 72 -9.769 -7.888 -6.147 1.00 0.00 C ATOM 1136 CD GLU A 72 -10.711 -8.415 -7.231 1.00 0.00 C ATOM 1137 OE1 GLU A 72 -10.769 -9.655 -7.378 1.00 0.00 O ATOM 1138 OE2 GLU A 72 -11.352 -7.566 -7.887 1.00 0.00 O ATOM 0 H GLU A 72 -7.479 -6.177 -5.732 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.123 -8.320 -4.220 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -7.893 -7.973 -7.208 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.398 -9.508 -6.531 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -10.145 -8.172 -5.164 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -9.747 -6.799 -6.177 1.00 0.00 H new ATOM 1145 N ASN A 73 -5.196 -8.733 -5.571 1.00 0.00 N ATOM 1146 CA ASN A 73 -4.004 -9.564 -5.572 1.00 0.00 C ATOM 1147 C ASN A 73 -3.415 -9.606 -4.161 1.00 0.00 C ATOM 1148 O ASN A 73 -3.502 -8.628 -3.419 1.00 0.00 O ATOM 1149 CB ASN A 73 -2.939 -8.997 -6.513 1.00 0.00 C ATOM 1150 CG ASN A 73 -2.812 -7.482 -6.348 1.00 0.00 C ATOM 1151 OD1 ASN A 73 -3.235 -6.901 -5.362 1.00 0.00 O ATOM 1152 ND2 ASN A 73 -2.207 -6.876 -7.366 1.00 0.00 N ATOM 0 H ASN A 73 -5.082 -7.823 -6.017 1.00 0.00 H new ATOM 0 HA ASN A 73 -4.288 -10.561 -5.908 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.979 -9.470 -6.308 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -3.198 -9.234 -7.545 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -2.073 -5.865 -7.351 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.877 -7.422 -8.161 1.00 0.00 H new ATOM 1159 N PRO A 74 -2.814 -10.778 -3.824 1.00 0.00 N ATOM 1160 CA PRO A 74 -2.210 -10.960 -2.514 1.00 0.00 C ATOM 1161 C PRO A 74 -0.881 -10.209 -2.414 1.00 0.00 C ATOM 1162 O PRO A 74 -0.195 -10.017 -3.417 1.00 0.00 O ATOM 1163 CB PRO A 74 -2.056 -12.464 -2.358 1.00 0.00 C ATOM 1164 CG PRO A 74 -2.146 -13.040 -3.761 1.00 0.00 C ATOM 1165 CD PRO A 74 -2.692 -11.957 -4.677 1.00 0.00 C ATOM 0 HA PRO A 74 -2.819 -10.550 -1.709 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -1.101 -12.713 -1.894 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.838 -12.872 -1.717 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -1.164 -13.369 -4.102 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -2.797 -13.914 -3.773 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -2.021 -11.772 -5.515 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.656 -12.243 -5.098 1.00 0.00 H new ATOM 1173 N VAL A 75 -0.557 -9.804 -1.195 1.00 0.00 N ATOM 1174 CA VAL A 75 0.678 -9.078 -0.951 1.00 0.00 C ATOM 1175 C VAL A 75 1.868 -9.966 -1.318 1.00 0.00 C ATOM 1176 O VAL A 75 2.992 -9.483 -1.446 1.00 0.00 O ATOM 1177 CB VAL A 75 0.720 -8.591 0.499 1.00 0.00 C ATOM 1178 CG1 VAL A 75 -0.300 -7.475 0.733 1.00 0.00 C ATOM 1179 CG2 VAL A 75 0.499 -9.750 1.473 1.00 0.00 C ATOM 0 H VAL A 75 -1.128 -9.965 -0.365 1.00 0.00 H new ATOM 0 HA VAL A 75 0.730 -8.190 -1.580 1.00 0.00 H new ATOM 0 HB VAL A 75 1.713 -8.181 0.686 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.249 -7.147 1.771 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.077 -6.634 0.076 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.302 -7.847 0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.534 -9.377 2.497 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.474 -10.203 1.285 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.280 -10.497 1.333 1.00 0.00 H new ATOM 1189 N SER A 76 1.580 -11.250 -1.479 1.00 0.00 N ATOM 1190 CA SER A 76 2.612 -12.210 -1.829 1.00 0.00 C ATOM 1191 C SER A 76 3.069 -11.984 -3.272 1.00 0.00 C ATOM 1192 O SER A 76 4.089 -12.526 -3.696 1.00 0.00 O ATOM 1193 CB SER A 76 2.114 -13.645 -1.649 1.00 0.00 C ATOM 1194 OG SER A 76 3.118 -14.495 -1.102 1.00 0.00 O ATOM 0 H SER A 76 0.646 -11.647 -1.373 1.00 0.00 H new ATOM 0 HA SER A 76 3.458 -12.061 -1.159 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.242 -13.647 -0.995 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.790 -14.040 -2.612 1.00 0.00 H new ATOM 0 HG SER A 76 3.958 -14.364 -1.589 1.00 0.00 H new ATOM 1200 N SER A 77 2.293 -11.183 -3.986 1.00 0.00 N ATOM 1201 CA SER A 77 2.605 -10.879 -5.372 1.00 0.00 C ATOM 1202 C SER A 77 3.330 -9.534 -5.462 1.00 0.00 C ATOM 1203 O SER A 77 3.760 -9.128 -6.541 1.00 0.00 O ATOM 1204 CB SER A 77 1.338 -10.858 -6.230 1.00 0.00 C ATOM 1205 OG SER A 77 1.231 -12.016 -7.053 1.00 0.00 O ATOM 0 H SER A 77 1.448 -10.735 -3.631 1.00 0.00 H new ATOM 0 HA SER A 77 3.258 -11.663 -5.756 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.463 -10.791 -5.583 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.340 -9.966 -6.857 1.00 0.00 H new ATOM 0 HG SER A 77 0.409 -11.965 -7.584 1.00 0.00 H new ATOM 1211 N VAL A 78 3.442 -8.881 -4.315 1.00 0.00 N ATOM 1212 CA VAL A 78 4.107 -7.591 -4.251 1.00 0.00 C ATOM 1213 C VAL A 78 5.174 -7.626 -3.155 1.00 0.00 C ATOM 1214 O VAL A 78 5.559 -6.584 -2.625 1.00 0.00 O ATOM 1215 CB VAL A 78 3.075 -6.479 -4.046 1.00 0.00 C ATOM 1216 CG1 VAL A 78 2.304 -6.202 -5.338 1.00 0.00 C ATOM 1217 CG2 VAL A 78 2.121 -6.822 -2.901 1.00 0.00 C ATOM 0 H VAL A 78 3.083 -9.221 -3.423 1.00 0.00 H new ATOM 0 HA VAL A 78 4.614 -7.376 -5.192 1.00 0.00 H new ATOM 0 HB VAL A 78 3.611 -5.570 -3.775 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.577 -5.408 -5.165 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.000 -5.893 -6.118 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.784 -7.107 -5.653 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.398 -6.016 -2.776 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.595 -7.749 -3.131 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.689 -6.946 -1.979 1.00 0.00 H new ATOM 1227 N ALA A 79 5.622 -8.834 -2.848 1.00 0.00 N ATOM 1228 CA ALA A 79 6.637 -9.018 -1.825 1.00 0.00 C ATOM 1229 C ALA A 79 7.994 -9.246 -2.494 1.00 0.00 C ATOM 1230 O ALA A 79 8.495 -10.369 -2.523 1.00 0.00 O ATOM 1231 CB ALA A 79 6.236 -10.177 -0.910 1.00 0.00 C ATOM 0 H ALA A 79 5.301 -9.695 -3.290 1.00 0.00 H new ATOM 0 HA ALA A 79 6.721 -8.126 -1.204 1.00 0.00 H new ATOM 0 HB1 ALA A 79 6.998 -10.315 -0.143 1.00 0.00 H new ATOM 0 HB2 ALA A 79 5.280 -9.953 -0.437 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.144 -11.090 -1.498 1.00 0.00 H new ATOM 1237 N SER A 80 8.550 -8.163 -3.015 1.00 0.00 N ATOM 1238 CA SER A 80 9.840 -8.230 -3.681 1.00 0.00 C ATOM 1239 C SER A 80 10.253 -6.839 -4.165 1.00 0.00 C ATOM 1240 O SER A 80 11.318 -6.343 -3.803 1.00 0.00 O ATOM 1241 CB SER A 80 9.802 -9.210 -4.856 1.00 0.00 C ATOM 1242 OG SER A 80 11.057 -9.854 -5.055 1.00 0.00 O ATOM 0 H SER A 80 8.131 -7.233 -2.990 1.00 0.00 H new ATOM 0 HA SER A 80 10.577 -8.591 -2.963 1.00 0.00 H new ATOM 0 HB2 SER A 80 9.033 -9.962 -4.676 1.00 0.00 H new ATOM 0 HB3 SER A 80 9.520 -8.677 -5.764 1.00 0.00 H new ATOM 0 HG SER A 80 10.991 -10.472 -5.812 1.00 0.00 H new ATOM 1248 N GLN A 81 9.387 -6.248 -4.975 1.00 0.00 N ATOM 1249 CA GLN A 81 9.648 -4.923 -5.512 1.00 0.00 C ATOM 1250 C GLN A 81 8.997 -3.855 -4.631 1.00 0.00 C ATOM 1251 O GLN A 81 8.280 -4.179 -3.685 1.00 0.00 O ATOM 1252 CB GLN A 81 9.162 -4.811 -6.958 1.00 0.00 C ATOM 1253 CG GLN A 81 10.334 -4.889 -7.938 1.00 0.00 C ATOM 1254 CD GLN A 81 10.388 -6.257 -8.621 1.00 0.00 C ATOM 1255 OE1 GLN A 81 9.791 -7.225 -8.178 1.00 0.00 O ATOM 1256 NE2 GLN A 81 11.135 -6.284 -9.722 1.00 0.00 N ATOM 0 H GLN A 81 8.504 -6.662 -5.273 1.00 0.00 H new ATOM 0 HA GLN A 81 10.726 -4.759 -5.512 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.452 -5.611 -7.170 1.00 0.00 H new ATOM 0 HB3 GLN A 81 8.631 -3.869 -7.095 1.00 0.00 H new ATOM 0 HG2 GLN A 81 10.236 -4.107 -8.691 1.00 0.00 H new ATOM 0 HG3 GLN A 81 11.269 -4.706 -7.408 1.00 0.00 H new ATOM 0 HE21 GLN A 81 11.608 -5.438 -10.038 1.00 0.00 H new ATOM 0 HE22 GLN A 81 11.234 -7.151 -10.250 1.00 0.00 H new ATOM 1265 N THR A 82 9.270 -2.605 -4.972 1.00 0.00 N ATOM 1266 CA THR A 82 8.720 -1.487 -4.223 1.00 0.00 C ATOM 1267 C THR A 82 7.434 -0.985 -4.883 1.00 0.00 C ATOM 1268 O THR A 82 7.324 -0.976 -6.108 1.00 0.00 O ATOM 1269 CB THR A 82 9.804 -0.414 -4.110 1.00 0.00 C ATOM 1270 OG1 THR A 82 10.584 -0.825 -2.990 1.00 0.00 O ATOM 1271 CG2 THR A 82 9.241 0.946 -3.693 1.00 0.00 C ATOM 0 H THR A 82 9.865 -2.341 -5.757 1.00 0.00 H new ATOM 0 HA THR A 82 8.435 -1.788 -3.215 1.00 0.00 H new ATOM 0 HB THR A 82 10.318 -0.316 -5.066 1.00 0.00 H new ATOM 0 HG1 THR A 82 11.532 -0.659 -3.173 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.052 1.671 -3.628 1.00 0.00 H new ATOM 0 HG22 THR A 82 8.514 1.281 -4.432 1.00 0.00 H new ATOM 0 HG23 THR A 82 8.755 0.856 -2.721 1.00 0.00 H new ATOM 1279 N LEU A 83 6.495 -0.580 -4.042 1.00 0.00 N ATOM 1280 CA LEU A 83 5.221 -0.077 -4.528 1.00 0.00 C ATOM 1281 C LEU A 83 5.205 1.449 -4.421 1.00 0.00 C ATOM 1282 O LEU A 83 6.036 2.035 -3.729 1.00 0.00 O ATOM 1283 CB LEU A 83 4.062 -0.757 -3.796 1.00 0.00 C ATOM 1284 CG LEU A 83 3.922 -2.264 -4.016 1.00 0.00 C ATOM 1285 CD1 LEU A 83 2.927 -2.873 -3.026 1.00 0.00 C ATOM 1286 CD2 LEU A 83 3.549 -2.575 -5.467 1.00 0.00 C ATOM 0 H LEU A 83 6.590 -0.590 -3.027 1.00 0.00 H new ATOM 0 HA LEU A 83 5.091 -0.324 -5.582 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.177 -0.575 -2.727 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.133 -0.277 -4.103 1.00 0.00 H new ATOM 0 HG LEU A 83 4.890 -2.727 -3.826 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.846 -3.945 -3.204 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.275 -2.700 -2.008 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.950 -2.408 -3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.456 -3.653 -5.596 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.600 -2.097 -5.709 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.325 -2.196 -6.132 1.00 0.00 H new ATOM 1298 N VAL A 84 4.251 2.050 -5.117 1.00 0.00 N ATOM 1299 CA VAL A 84 4.116 3.496 -5.109 1.00 0.00 C ATOM 1300 C VAL A 84 2.682 3.868 -4.726 1.00 0.00 C ATOM 1301 O VAL A 84 1.728 3.285 -5.238 1.00 0.00 O ATOM 1302 CB VAL A 84 4.542 4.069 -6.462 1.00 0.00 C ATOM 1303 CG1 VAL A 84 4.470 5.597 -6.458 1.00 0.00 C ATOM 1304 CG2 VAL A 84 5.943 3.588 -6.845 1.00 0.00 C ATOM 0 H VAL A 84 3.564 1.561 -5.691 1.00 0.00 H new ATOM 0 HA VAL A 84 4.776 3.937 -4.362 1.00 0.00 H new ATOM 0 HB VAL A 84 3.844 3.702 -7.215 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.778 5.978 -7.432 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.447 5.913 -6.252 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.133 5.990 -5.688 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.221 4.010 -7.811 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.658 3.911 -6.088 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.949 2.500 -6.909 1.00 0.00 H new ATOM 1314 N LEU A 85 2.576 4.838 -3.830 1.00 0.00 N ATOM 1315 CA LEU A 85 1.274 5.295 -3.373 1.00 0.00 C ATOM 1316 C LEU A 85 1.041 6.726 -3.861 1.00 0.00 C ATOM 1317 O LEU A 85 1.835 7.621 -3.573 1.00 0.00 O ATOM 1318 CB LEU A 85 1.152 5.134 -1.857 1.00 0.00 C ATOM 1319 CG LEU A 85 -0.262 5.242 -1.282 1.00 0.00 C ATOM 1320 CD1 LEU A 85 -0.926 3.866 -1.198 1.00 0.00 C ATOM 1321 CD2 LEU A 85 -0.252 5.957 0.070 1.00 0.00 C ATOM 0 H LEU A 85 3.370 5.320 -3.408 1.00 0.00 H new ATOM 0 HA LEU A 85 0.482 4.680 -3.800 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.562 4.162 -1.581 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.775 5.890 -1.380 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.861 5.848 -1.961 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.930 3.971 -0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.987 3.430 -2.195 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.335 3.216 -0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.269 6.020 0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.368 5.400 0.772 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.152 6.962 -0.053 1.00 0.00 H new ATOM 1333 N ASP A 86 -0.051 6.899 -4.590 1.00 0.00 N ATOM 1334 CA ASP A 86 -0.399 8.206 -5.120 1.00 0.00 C ATOM 1335 C ASP A 86 -1.561 8.787 -4.312 1.00 0.00 C ATOM 1336 O ASP A 86 -2.702 8.788 -4.771 1.00 0.00 O ATOM 1337 CB ASP A 86 -0.842 8.108 -6.581 1.00 0.00 C ATOM 1338 CG ASP A 86 -0.588 9.362 -7.420 1.00 0.00 C ATOM 1339 OD1 ASP A 86 -0.591 10.458 -6.818 1.00 0.00 O ATOM 1340 OD2 ASP A 86 -0.396 9.198 -8.644 1.00 0.00 O ATOM 0 H ASP A 86 -0.707 6.155 -4.826 1.00 0.00 H new ATOM 0 HA ASP A 86 0.483 8.842 -5.052 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -0.326 7.268 -7.046 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.908 7.881 -6.607 1.00 0.00 H new ATOM 1345 N THR A 87 -1.231 9.267 -3.122 1.00 0.00 N ATOM 1346 CA THR A 87 -2.233 9.849 -2.246 1.00 0.00 C ATOM 1347 C THR A 87 -3.081 10.868 -3.009 1.00 0.00 C ATOM 1348 O THR A 87 -2.643 11.412 -4.021 1.00 0.00 O ATOM 1349 CB THR A 87 -1.513 10.444 -1.034 1.00 0.00 C ATOM 1350 OG1 THR A 87 -0.665 11.445 -1.590 1.00 0.00 O ATOM 1351 CG2 THR A 87 -0.543 9.454 -0.385 1.00 0.00 C ATOM 0 H THR A 87 -0.284 9.265 -2.744 1.00 0.00 H new ATOM 0 HA THR A 87 -2.933 9.093 -1.888 1.00 0.00 H new ATOM 0 HB THR A 87 -2.249 10.767 -0.298 1.00 0.00 H new ATOM 0 HG1 THR A 87 -0.162 11.883 -0.872 1.00 0.00 H new ATOM 0 HG21 THR A 87 -0.059 9.926 0.470 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.091 8.573 -0.050 1.00 0.00 H new ATOM 0 HG23 THR A 87 0.213 9.156 -1.111 1.00 0.00 H new ATOM 1359 N PRO A 88 -4.312 11.102 -2.480 1.00 0.00 N ATOM 1360 CA PRO A 88 -5.226 12.047 -3.100 1.00 0.00 C ATOM 1361 C PRO A 88 -4.795 13.489 -2.824 1.00 0.00 C ATOM 1362 O PRO A 88 -4.132 13.762 -1.824 1.00 0.00 O ATOM 1363 CB PRO A 88 -6.590 11.713 -2.519 1.00 0.00 C ATOM 1364 CG PRO A 88 -6.321 10.911 -1.256 1.00 0.00 C ATOM 1365 CD PRO A 88 -4.864 10.477 -1.282 1.00 0.00 C ATOM 0 HA PRO A 88 -5.240 11.967 -4.187 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.151 12.620 -2.293 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.186 11.138 -3.227 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -6.524 11.513 -0.371 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -6.978 10.042 -1.208 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -4.337 10.805 -0.386 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -4.775 9.391 -1.325 1.00 0.00 H new