USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 417 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 NoAdj-H: C 358 HIS HD1 : C 358 HIS ND1 : C 901 ZNZN :(H bumps) USER MOD Single : C 330 THR OG1 : rot -160:sc= 0 USER MOD Single : C 337 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : C 338 ASN : amide:sc= -3.52! C(o=-3.5!,f=-6.3!) USER MOD Single : C 347 SER OG : rot -30:sc= 1.38! USER MOD Single : C 348 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 349 GLN : amide:sc= -0.261 X(o=-0.26,f=-0.36) USER MOD Single : C 353 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 361 HIS : no HD1:sc= -3.11! K(o=-3.1!,f=-1.7) USER MOD Single : C 362 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : C 363 SER OG : rot 180:sc= 0 USER MOD Single : C 367 SER OG : rot 180:sc= 0 USER MOD Single : C 371 GLN : amide:sc= -5.56! C(o=-5.6!,f=-7!) USER MOD Single : C 373 THR OG1 : rot -98:sc= -0.692! USER MOD Single : C 374 SER OG : rot 180:sc= 0 USER MOD Single : C 377 THR OG1 : rot 180:sc= 0 USER MOD Single : C 380 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 381 SER OG : rot 180:sc= 0 USER MOD Single : C 383 ASN : amide:sc= -1.23! C(o=-1.2!,f=-6.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA C 327 16.628 0.796 -16.467 1.00 0.00 N ATOM 2 CA ALA C 327 17.762 -0.093 -16.842 1.00 0.00 C ATOM 3 C ALA C 327 17.683 -1.379 -16.034 1.00 0.00 C ATOM 4 O ALA C 327 18.165 -1.444 -14.902 1.00 0.00 O ATOM 5 CB ALA C 327 19.085 0.621 -16.555 1.00 0.00 C ATOM 0 HA ALA C 327 17.706 -0.332 -17.904 1.00 0.00 H new ATOM 0 HB1 ALA C 327 19.916 -0.029 -16.829 1.00 0.00 H new ATOM 0 HB2 ALA C 327 19.136 1.541 -17.138 1.00 0.00 H new ATOM 0 HB3 ALA C 327 19.146 0.860 -15.493 1.00 0.00 H new ATOM 11 N VAL C 328 17.074 -2.407 -16.618 1.00 0.00 N ATOM 12 CA VAL C 328 16.939 -3.692 -15.939 1.00 0.00 C ATOM 13 C VAL C 328 17.917 -4.707 -16.512 1.00 0.00 C ATOM 14 O VAL C 328 17.723 -5.222 -17.612 1.00 0.00 O ATOM 15 CB VAL C 328 15.510 -4.218 -16.099 1.00 0.00 C ATOM 16 CG1 VAL C 328 15.391 -5.593 -15.431 1.00 0.00 C ATOM 17 CG2 VAL C 328 14.531 -3.241 -15.434 1.00 0.00 C ATOM 0 H VAL C 328 16.669 -2.376 -17.553 1.00 0.00 H new ATOM 0 HA VAL C 328 17.160 -3.546 -14.882 1.00 0.00 H new ATOM 0 HB VAL C 328 15.273 -4.309 -17.159 1.00 0.00 H new ATOM 0 HG11 VAL C 328 14.373 -5.966 -15.546 1.00 0.00 H new ATOM 0 HG12 VAL C 328 16.087 -6.287 -15.901 1.00 0.00 H new ATOM 0 HG13 VAL C 328 15.628 -5.504 -14.371 1.00 0.00 H new ATOM 0 HG21 VAL C 328 13.513 -3.613 -15.547 1.00 0.00 H new ATOM 0 HG22 VAL C 328 14.770 -3.152 -14.374 1.00 0.00 H new ATOM 0 HG23 VAL C 328 14.614 -2.263 -15.908 1.00 0.00 H new ATOM 27 N ALA C 329 18.973 -4.996 -15.754 1.00 0.00 N ATOM 28 CA ALA C 329 19.981 -5.959 -16.194 1.00 0.00 C ATOM 29 C ALA C 329 19.661 -7.347 -15.654 1.00 0.00 C ATOM 30 O ALA C 329 20.211 -8.346 -16.117 1.00 0.00 O ATOM 31 CB ALA C 329 21.363 -5.524 -15.708 1.00 0.00 C ATOM 0 H ALA C 329 19.152 -4.581 -14.840 1.00 0.00 H new ATOM 0 HA ALA C 329 19.976 -5.995 -17.283 1.00 0.00 H new ATOM 0 HB1 ALA C 329 22.109 -6.246 -16.039 1.00 0.00 H new ATOM 0 HB2 ALA C 329 21.601 -4.542 -16.118 1.00 0.00 H new ATOM 0 HB3 ALA C 329 21.366 -5.473 -14.619 1.00 0.00 H new ATOM 37 N THR C 330 18.766 -7.402 -14.669 1.00 0.00 N ATOM 38 CA THR C 330 18.385 -8.672 -14.072 1.00 0.00 C ATOM 39 C THR C 330 17.298 -9.353 -14.901 1.00 0.00 C ATOM 40 O THR C 330 16.432 -8.683 -15.470 1.00 0.00 O ATOM 41 CB THR C 330 17.876 -8.455 -12.644 1.00 0.00 C ATOM 42 OG1 THR C 330 16.503 -8.097 -12.682 1.00 0.00 O ATOM 43 CG2 THR C 330 18.682 -7.335 -11.980 1.00 0.00 C ATOM 0 H THR C 330 18.297 -6.587 -14.273 1.00 0.00 H new ATOM 0 HA THR C 330 19.266 -9.313 -14.048 1.00 0.00 H new ATOM 0 HB THR C 330 17.995 -9.374 -12.070 1.00 0.00 H new ATOM 0 HG1 THR C 330 16.256 -7.658 -11.842 1.00 0.00 H new ATOM 0 HG21 THR C 330 18.320 -7.180 -10.964 1.00 0.00 H new ATOM 0 HG22 THR C 330 19.736 -7.613 -11.952 1.00 0.00 H new ATOM 0 HG23 THR C 330 18.564 -6.414 -12.551 1.00 0.00 H new ATOM 51 N PRO C 331 17.324 -10.660 -14.977 1.00 0.00 N ATOM 52 CA PRO C 331 16.315 -11.437 -15.751 1.00 0.00 C ATOM 53 C PRO C 331 14.947 -11.452 -15.071 1.00 0.00 C ATOM 54 O PRO C 331 14.847 -11.293 -13.856 1.00 0.00 O ATOM 55 CB PRO C 331 16.920 -12.850 -15.800 1.00 0.00 C ATOM 56 CG PRO C 331 17.746 -12.953 -14.560 1.00 0.00 C ATOM 57 CD PRO C 331 18.311 -11.547 -14.328 1.00 0.00 C ATOM 0 HA PRO C 331 16.130 -11.007 -16.735 1.00 0.00 H new ATOM 0 HB2 PRO C 331 16.142 -13.613 -15.822 1.00 0.00 H new ATOM 0 HB3 PRO C 331 17.528 -12.989 -16.694 1.00 0.00 H new ATOM 0 HG2 PRO C 331 17.143 -13.279 -13.712 1.00 0.00 H new ATOM 0 HG3 PRO C 331 18.546 -13.683 -14.681 1.00 0.00 H new ATOM 0 HD2 PRO C 331 18.410 -11.326 -13.265 1.00 0.00 H new ATOM 0 HD3 PRO C 331 19.301 -11.436 -14.770 1.00 0.00 H new ATOM 65 N GLU C 332 13.905 -11.671 -15.866 1.00 0.00 N ATOM 66 CA GLU C 332 12.551 -11.739 -15.331 1.00 0.00 C ATOM 67 C GLU C 332 12.474 -12.792 -14.229 1.00 0.00 C ATOM 68 O GLU C 332 11.570 -12.771 -13.394 1.00 0.00 O ATOM 69 CB GLU C 332 11.566 -12.086 -16.445 1.00 0.00 C ATOM 70 CG GLU C 332 11.984 -13.402 -17.107 1.00 0.00 C ATOM 71 CD GLU C 332 11.027 -13.741 -18.244 1.00 0.00 C ATOM 72 OE1 GLU C 332 9.860 -13.401 -18.129 1.00 0.00 O ATOM 73 OE2 GLU C 332 11.471 -14.338 -19.209 1.00 0.00 O ATOM 0 H GLU C 332 13.971 -11.803 -16.875 1.00 0.00 H new ATOM 0 HA GLU C 332 12.290 -10.767 -14.913 1.00 0.00 H new ATOM 0 HB2 GLU C 332 10.558 -12.175 -16.039 1.00 0.00 H new ATOM 0 HB3 GLU C 332 11.542 -11.286 -17.185 1.00 0.00 H new ATOM 0 HG2 GLU C 332 13.001 -13.319 -17.490 1.00 0.00 H new ATOM 0 HG3 GLU C 332 11.985 -14.205 -16.370 1.00 0.00 H new ATOM 80 N GLU C 333 13.431 -13.719 -14.230 1.00 0.00 N ATOM 81 CA GLU C 333 13.463 -14.773 -13.220 1.00 0.00 C ATOM 82 C GLU C 333 13.487 -14.168 -11.822 1.00 0.00 C ATOM 83 O GLU C 333 12.800 -14.644 -10.917 1.00 0.00 O ATOM 84 CB GLU C 333 14.708 -15.645 -13.419 1.00 0.00 C ATOM 85 CG GLU C 333 14.537 -16.499 -14.676 1.00 0.00 C ATOM 86 CD GLU C 333 15.787 -17.338 -14.912 1.00 0.00 C ATOM 87 OE1 GLU C 333 16.715 -17.214 -14.127 1.00 0.00 O ATOM 88 OE2 GLU C 333 15.799 -18.094 -15.868 1.00 0.00 O ATOM 0 H GLU C 333 14.188 -13.761 -14.913 1.00 0.00 H new ATOM 0 HA GLU C 333 12.567 -15.385 -13.327 1.00 0.00 H new ATOM 0 HB2 GLU C 333 15.594 -15.017 -13.511 1.00 0.00 H new ATOM 0 HB3 GLU C 333 14.860 -16.285 -12.550 1.00 0.00 H new ATOM 0 HG2 GLU C 333 13.668 -17.149 -14.569 1.00 0.00 H new ATOM 0 HG3 GLU C 333 14.351 -15.858 -15.538 1.00 0.00 H new ATOM 95 N LEU C 334 14.279 -13.116 -11.649 1.00 0.00 N ATOM 96 CA LEU C 334 14.377 -12.456 -10.358 1.00 0.00 C ATOM 97 C LEU C 334 13.036 -11.861 -9.948 1.00 0.00 C ATOM 98 O LEU C 334 12.621 -11.972 -8.792 1.00 0.00 O ATOM 99 CB LEU C 334 15.437 -11.348 -10.414 1.00 0.00 C ATOM 100 CG LEU C 334 15.454 -10.576 -9.088 1.00 0.00 C ATOM 101 CD1 LEU C 334 15.684 -11.549 -7.926 1.00 0.00 C ATOM 102 CD2 LEU C 334 16.577 -9.541 -9.118 1.00 0.00 C ATOM 0 H LEU C 334 14.858 -12.706 -12.382 1.00 0.00 H new ATOM 0 HA LEU C 334 14.667 -13.200 -9.617 1.00 0.00 H new ATOM 0 HB2 LEU C 334 16.419 -11.781 -10.606 1.00 0.00 H new ATOM 0 HB3 LEU C 334 15.222 -10.668 -11.238 1.00 0.00 H new ATOM 0 HG LEU C 334 14.497 -10.072 -8.950 1.00 0.00 H new ATOM 0 HD11 LEU C 334 15.695 -10.997 -6.986 1.00 0.00 H new ATOM 0 HD12 LEU C 334 14.881 -12.286 -7.904 1.00 0.00 H new ATOM 0 HD13 LEU C 334 16.639 -12.057 -8.060 1.00 0.00 H new ATOM 0 HD21 LEU C 334 16.591 -8.992 -8.177 1.00 0.00 H new ATOM 0 HD22 LEU C 334 17.533 -10.045 -9.258 1.00 0.00 H new ATOM 0 HD23 LEU C 334 16.410 -8.846 -9.941 1.00 0.00 H new ATOM 114 N ALA C 335 12.366 -11.220 -10.897 1.00 0.00 N ATOM 115 CA ALA C 335 11.076 -10.605 -10.620 1.00 0.00 C ATOM 116 C ALA C 335 10.074 -11.651 -10.143 1.00 0.00 C ATOM 117 O ALA C 335 9.419 -11.473 -9.113 1.00 0.00 O ATOM 118 CB ALA C 335 10.542 -9.928 -11.886 1.00 0.00 C ATOM 0 H ALA C 335 12.692 -11.113 -11.858 1.00 0.00 H new ATOM 0 HA ALA C 335 11.209 -9.861 -9.834 1.00 0.00 H new ATOM 0 HB1 ALA C 335 9.576 -9.469 -11.674 1.00 0.00 H new ATOM 0 HB2 ALA C 335 11.244 -9.161 -12.212 1.00 0.00 H new ATOM 0 HB3 ALA C 335 10.425 -10.672 -12.674 1.00 0.00 H new ATOM 124 N VAL C 336 9.973 -12.747 -10.886 1.00 0.00 N ATOM 125 CA VAL C 336 9.042 -13.813 -10.530 1.00 0.00 C ATOM 126 C VAL C 336 9.373 -14.366 -9.148 1.00 0.00 C ATOM 127 O VAL C 336 8.485 -14.566 -8.320 1.00 0.00 O ATOM 128 CB VAL C 336 9.115 -14.937 -11.566 1.00 0.00 C ATOM 129 CG1 VAL C 336 8.223 -16.099 -11.128 1.00 0.00 C ATOM 130 CG2 VAL C 336 8.636 -14.411 -12.923 1.00 0.00 C ATOM 0 H VAL C 336 10.518 -12.921 -11.731 1.00 0.00 H new ATOM 0 HA VAL C 336 8.032 -13.403 -10.514 1.00 0.00 H new ATOM 0 HB VAL C 336 10.145 -15.284 -11.651 1.00 0.00 H new ATOM 0 HG11 VAL C 336 8.277 -16.898 -11.868 1.00 0.00 H new ATOM 0 HG12 VAL C 336 8.563 -16.475 -10.163 1.00 0.00 H new ATOM 0 HG13 VAL C 336 7.193 -15.754 -11.041 1.00 0.00 H new ATOM 0 HG21 VAL C 336 8.687 -15.211 -13.662 1.00 0.00 H new ATOM 0 HG22 VAL C 336 7.607 -14.063 -12.836 1.00 0.00 H new ATOM 0 HG23 VAL C 336 9.273 -13.584 -13.238 1.00 0.00 H new ATOM 140 N ASN C 337 10.655 -14.614 -8.907 1.00 0.00 N ATOM 141 CA ASN C 337 11.094 -15.140 -7.621 1.00 0.00 C ATOM 142 C ASN C 337 10.859 -14.113 -6.522 1.00 0.00 C ATOM 143 O ASN C 337 10.545 -14.466 -5.384 1.00 0.00 O ATOM 144 CB ASN C 337 12.578 -15.502 -7.677 1.00 0.00 C ATOM 145 CG ASN C 337 13.026 -16.080 -6.339 1.00 0.00 C ATOM 146 OD1 ASN C 337 12.366 -16.964 -5.792 1.00 0.00 O ATOM 147 ND2 ASN C 337 14.115 -15.632 -5.777 1.00 0.00 N ATOM 0 H ASN C 337 11.405 -14.460 -9.581 1.00 0.00 H new ATOM 0 HA ASN C 337 10.515 -16.037 -7.399 1.00 0.00 H new ATOM 0 HB2 ASN C 337 12.754 -16.226 -8.472 1.00 0.00 H new ATOM 0 HB3 ASN C 337 13.168 -14.617 -7.916 1.00 0.00 H new ATOM 0 HD21 ASN C 337 14.422 -16.014 -4.882 1.00 0.00 H new ATOM 0 HD22 ASN C 337 14.660 -14.900 -6.232 1.00 0.00 H new ATOM 154 N ASN C 338 11.028 -12.834 -6.865 1.00 0.00 N ATOM 155 CA ASN C 338 10.841 -11.755 -5.893 1.00 0.00 C ATOM 156 C ASN C 338 9.766 -10.791 -6.367 1.00 0.00 C ATOM 157 O ASN C 338 10.039 -9.618 -6.624 1.00 0.00 O ATOM 158 CB ASN C 338 12.158 -11.000 -5.694 1.00 0.00 C ATOM 159 CG ASN C 338 12.008 -9.984 -4.568 1.00 0.00 C ATOM 160 OD1 ASN C 338 10.899 -9.536 -4.278 1.00 0.00 O ATOM 161 ND2 ASN C 338 13.064 -9.593 -3.910 1.00 0.00 N ATOM 0 H ASN C 338 11.292 -12.522 -7.800 1.00 0.00 H new ATOM 0 HA ASN C 338 10.527 -12.193 -4.945 1.00 0.00 H new ATOM 0 HB2 ASN C 338 12.958 -11.702 -5.458 1.00 0.00 H new ATOM 0 HB3 ASN C 338 12.440 -10.494 -6.617 1.00 0.00 H new ATOM 0 HD21 ASN C 338 12.972 -8.915 -3.154 1.00 0.00 H new ATOM 0 HD22 ASN C 338 13.982 -9.965 -4.152 1.00 0.00 H new ATOM 168 N ASP C 339 8.536 -11.288 -6.477 1.00 0.00 N ATOM 169 CA ASP C 339 7.421 -10.455 -6.920 1.00 0.00 C ATOM 170 C ASP C 339 6.793 -9.732 -5.731 1.00 0.00 C ATOM 171 O ASP C 339 5.775 -10.169 -5.194 1.00 0.00 O ATOM 172 CB ASP C 339 6.366 -11.321 -7.609 1.00 0.00 C ATOM 173 CG ASP C 339 5.832 -12.367 -6.637 1.00 0.00 C ATOM 174 OD1 ASP C 339 6.381 -12.476 -5.553 1.00 0.00 O ATOM 175 OD2 ASP C 339 4.879 -13.042 -6.989 1.00 0.00 O ATOM 0 H ASP C 339 8.288 -12.255 -6.267 1.00 0.00 H new ATOM 0 HA ASP C 339 7.798 -9.714 -7.625 1.00 0.00 H new ATOM 0 HB2 ASP C 339 5.549 -10.696 -7.968 1.00 0.00 H new ATOM 0 HB3 ASP C 339 6.799 -11.811 -8.481 1.00 0.00 H new ATOM 180 N ASP C 340 7.408 -8.625 -5.327 1.00 0.00 N ATOM 181 CA ASP C 340 6.900 -7.853 -4.199 1.00 0.00 C ATOM 182 C ASP C 340 7.621 -6.514 -4.106 1.00 0.00 C ATOM 183 O ASP C 340 8.847 -6.462 -4.030 1.00 0.00 O ATOM 184 CB ASP C 340 7.101 -8.633 -2.899 1.00 0.00 C ATOM 185 CG ASP C 340 6.471 -7.876 -1.735 1.00 0.00 C ATOM 186 OD1 ASP C 340 6.047 -6.750 -1.945 1.00 0.00 O ATOM 187 OD2 ASP C 340 6.417 -8.434 -0.651 1.00 0.00 O ATOM 0 H ASP C 340 8.250 -8.245 -5.759 1.00 0.00 H new ATOM 0 HA ASP C 340 5.836 -7.674 -4.353 1.00 0.00 H new ATOM 0 HB2 ASP C 340 6.652 -9.623 -2.986 1.00 0.00 H new ATOM 0 HB3 ASP C 340 8.165 -8.781 -2.714 1.00 0.00 H new ATOM 192 N CYS C 341 6.850 -5.431 -4.110 1.00 0.00 N ATOM 193 CA CYS C 341 7.421 -4.088 -4.019 1.00 0.00 C ATOM 194 C CYS C 341 7.188 -3.491 -2.638 1.00 0.00 C ATOM 195 O CYS C 341 6.095 -3.586 -2.090 1.00 0.00 O ATOM 196 CB CYS C 341 6.798 -3.184 -5.079 1.00 0.00 C ATOM 197 SG CYS C 341 7.859 -1.739 -5.336 1.00 0.00 S ATOM 0 H CYS C 341 5.832 -5.455 -4.175 1.00 0.00 H new ATOM 0 HA CYS C 341 8.495 -4.162 -4.189 1.00 0.00 H new ATOM 0 HB2 CYS C 341 6.677 -3.731 -6.014 1.00 0.00 H new ATOM 0 HB3 CYS C 341 5.804 -2.867 -4.764 1.00 0.00 H new ATOM 202 N ALA C 342 8.219 -2.866 -2.082 1.00 0.00 N ATOM 203 CA ALA C 342 8.104 -2.243 -0.766 1.00 0.00 C ATOM 204 C ALA C 342 7.704 -0.782 -0.909 1.00 0.00 C ATOM 205 O ALA C 342 7.251 -0.153 0.048 1.00 0.00 O ATOM 206 CB ALA C 342 9.438 -2.339 -0.025 1.00 0.00 C ATOM 0 H ALA C 342 9.138 -2.777 -2.516 1.00 0.00 H new ATOM 0 HA ALA C 342 7.337 -2.768 -0.197 1.00 0.00 H new ATOM 0 HB1 ALA C 342 9.344 -1.872 0.955 1.00 0.00 H new ATOM 0 HB2 ALA C 342 9.712 -3.387 0.097 1.00 0.00 H new ATOM 0 HB3 ALA C 342 10.210 -1.826 -0.598 1.00 0.00 H new ATOM 212 N ILE C 343 7.879 -0.238 -2.110 1.00 0.00 N ATOM 213 CA ILE C 343 7.532 1.155 -2.368 1.00 0.00 C ATOM 214 C ILE C 343 6.111 1.279 -2.905 1.00 0.00 C ATOM 215 O ILE C 343 5.218 1.774 -2.221 1.00 0.00 O ATOM 216 CB ILE C 343 8.515 1.763 -3.373 1.00 0.00 C ATOM 217 CG1 ILE C 343 9.910 1.842 -2.742 1.00 0.00 C ATOM 218 CG2 ILE C 343 8.054 3.170 -3.764 1.00 0.00 C ATOM 219 CD1 ILE C 343 10.943 2.177 -3.822 1.00 0.00 C ATOM 0 H ILE C 343 8.257 -0.737 -2.915 1.00 0.00 H new ATOM 0 HA ILE C 343 7.592 1.696 -1.424 1.00 0.00 H new ATOM 0 HB ILE C 343 8.551 1.135 -4.263 1.00 0.00 H new ATOM 0 HG12 ILE C 343 9.925 2.603 -1.962 1.00 0.00 H new ATOM 0 HG13 ILE C 343 10.160 0.893 -2.267 1.00 0.00 H new ATOM 0 HG21 ILE C 343 8.757 3.598 -4.479 1.00 0.00 H new ATOM 0 HG22 ILE C 343 7.064 3.116 -4.217 1.00 0.00 H new ATOM 0 HG23 ILE C 343 8.013 3.799 -2.875 1.00 0.00 H new ATOM 0 HD11 ILE C 343 11.934 2.233 -3.372 1.00 0.00 H new ATOM 0 HD12 ILE C 343 10.935 1.400 -4.587 1.00 0.00 H new ATOM 0 HD13 ILE C 343 10.696 3.136 -4.277 1.00 0.00 H new ATOM 231 N CYS C 344 5.920 0.845 -4.145 1.00 0.00 N ATOM 232 CA CYS C 344 4.610 0.935 -4.777 1.00 0.00 C ATOM 233 C CYS C 344 3.678 -0.150 -4.262 1.00 0.00 C ATOM 234 O CYS C 344 2.462 0.039 -4.214 1.00 0.00 O ATOM 235 CB CYS C 344 4.757 0.795 -6.296 1.00 0.00 C ATOM 236 SG CYS C 344 5.287 -0.893 -6.700 1.00 0.00 S ATOM 0 H CYS C 344 6.648 0.431 -4.728 1.00 0.00 H new ATOM 0 HA CYS C 344 4.182 1.907 -4.532 1.00 0.00 H new ATOM 0 HB2 CYS C 344 3.809 1.017 -6.786 1.00 0.00 H new ATOM 0 HB3 CYS C 344 5.485 1.515 -6.670 1.00 0.00 H new ATOM 241 N TRP C 345 4.252 -1.282 -3.877 1.00 0.00 N ATOM 242 CA TRP C 345 3.457 -2.396 -3.375 1.00 0.00 C ATOM 243 C TRP C 345 2.385 -2.781 -4.387 1.00 0.00 C ATOM 244 O TRP C 345 1.215 -2.448 -4.225 1.00 0.00 O ATOM 245 CB TRP C 345 2.800 -2.018 -2.049 1.00 0.00 C ATOM 246 CG TRP C 345 1.938 -3.145 -1.580 1.00 0.00 C ATOM 247 CD1 TRP C 345 0.596 -3.219 -1.749 1.00 0.00 C ATOM 248 CD2 TRP C 345 2.328 -4.355 -0.869 1.00 0.00 C ATOM 249 NE1 TRP C 345 0.140 -4.398 -1.189 1.00 0.00 N ATOM 250 CE2 TRP C 345 1.170 -5.133 -0.634 1.00 0.00 C ATOM 251 CE3 TRP C 345 3.562 -4.849 -0.410 1.00 0.00 C ATOM 252 CZ2 TRP C 345 1.234 -6.356 0.033 1.00 0.00 C ATOM 253 CZ3 TRP C 345 3.630 -6.080 0.262 1.00 0.00 C ATOM 254 CH2 TRP C 345 2.468 -6.832 0.483 1.00 0.00 C ATOM 0 H TRP C 345 5.257 -1.453 -3.902 1.00 0.00 H new ATOM 0 HA TRP C 345 4.118 -3.248 -3.217 1.00 0.00 H new ATOM 0 HB2 TRP C 345 3.563 -1.795 -1.303 1.00 0.00 H new ATOM 0 HB3 TRP C 345 2.202 -1.115 -2.172 1.00 0.00 H new ATOM 0 HD1 TRP C 345 -0.017 -2.478 -2.241 1.00 0.00 H new ATOM 0 HE1 TRP C 345 -0.837 -4.690 -1.186 1.00 0.00 H new ATOM 0 HE3 TRP C 345 4.463 -4.278 -0.575 1.00 0.00 H new ATOM 0 HZ2 TRP C 345 0.336 -6.931 0.201 1.00 0.00 H new ATOM 0 HZ3 TRP C 345 4.583 -6.450 0.611 1.00 0.00 H new ATOM 0 HH2 TRP C 345 2.527 -7.778 1.000 1.00 0.00 H new ATOM 265 N ASP C 346 2.794 -3.491 -5.436 1.00 0.00 N ATOM 266 CA ASP C 346 1.855 -3.917 -6.471 1.00 0.00 C ATOM 267 C ASP C 346 2.337 -5.194 -7.139 1.00 0.00 C ATOM 268 O ASP C 346 1.533 -6.057 -7.491 1.00 0.00 O ATOM 269 CB ASP C 346 1.704 -2.817 -7.521 1.00 0.00 C ATOM 270 CG ASP C 346 0.569 -3.162 -8.479 1.00 0.00 C ATOM 271 OD1 ASP C 346 -0.293 -3.935 -8.092 1.00 0.00 O ATOM 272 OD2 ASP C 346 0.580 -2.651 -9.588 1.00 0.00 O ATOM 0 H ASP C 346 3.759 -3.781 -5.591 1.00 0.00 H new ATOM 0 HA ASP C 346 0.890 -4.109 -6.002 1.00 0.00 H new ATOM 0 HB2 ASP C 346 1.502 -1.863 -7.034 1.00 0.00 H new ATOM 0 HB3 ASP C 346 2.636 -2.701 -8.075 1.00 0.00 H new ATOM 277 N SER C 347 3.652 -5.312 -7.309 1.00 0.00 N ATOM 278 CA SER C 347 4.234 -6.496 -7.936 1.00 0.00 C ATOM 279 C SER C 347 4.143 -6.394 -9.454 1.00 0.00 C ATOM 280 O SER C 347 3.048 -6.360 -10.018 1.00 0.00 O ATOM 281 CB SER C 347 3.505 -7.758 -7.465 1.00 0.00 C ATOM 282 OG SER C 347 2.431 -8.040 -8.354 1.00 0.00 O ATOM 0 H SER C 347 4.331 -4.607 -7.023 1.00 0.00 H new ATOM 0 HA SER C 347 5.283 -6.556 -7.645 1.00 0.00 H new ATOM 0 HB2 SER C 347 4.196 -8.600 -7.433 1.00 0.00 H new ATOM 0 HB3 SER C 347 3.127 -7.617 -6.453 1.00 0.00 H new ATOM 0 HG SER C 347 2.093 -7.203 -8.735 1.00 0.00 H new ATOM 288 N MET C 348 5.298 -6.346 -10.113 1.00 0.00 N ATOM 289 CA MET C 348 5.336 -6.255 -11.570 1.00 0.00 C ATOM 290 C MET C 348 6.595 -6.920 -12.113 1.00 0.00 C ATOM 291 O MET C 348 7.518 -7.231 -11.362 1.00 0.00 O ATOM 292 CB MET C 348 5.291 -4.790 -12.005 1.00 0.00 C ATOM 293 CG MET C 348 4.870 -4.695 -13.472 1.00 0.00 C ATOM 294 SD MET C 348 4.581 -2.965 -13.908 1.00 0.00 S ATOM 295 CE MET C 348 2.791 -2.963 -13.650 1.00 0.00 C ATOM 0 H MET C 348 6.214 -6.368 -9.665 1.00 0.00 H new ATOM 0 HA MET C 348 4.466 -6.774 -11.973 1.00 0.00 H new ATOM 0 HB2 MET C 348 4.590 -4.237 -11.380 1.00 0.00 H new ATOM 0 HB3 MET C 348 6.270 -4.331 -11.868 1.00 0.00 H new ATOM 0 HG2 MET C 348 5.645 -5.117 -14.111 1.00 0.00 H new ATOM 0 HG3 MET C 348 3.965 -5.279 -13.640 1.00 0.00 H new ATOM 0 HE1 MET C 348 2.393 -1.971 -13.866 1.00 0.00 H new ATOM 0 HE2 MET C 348 2.327 -3.693 -14.313 1.00 0.00 H new ATOM 0 HE3 MET C 348 2.572 -3.224 -12.614 1.00 0.00 H new ATOM 305 N GLN C 349 6.626 -7.135 -13.422 1.00 0.00 N ATOM 306 CA GLN C 349 7.773 -7.764 -14.057 1.00 0.00 C ATOM 307 C GLN C 349 9.008 -6.876 -13.954 1.00 0.00 C ATOM 308 O GLN C 349 10.119 -7.364 -13.754 1.00 0.00 O ATOM 309 CB GLN C 349 7.468 -8.042 -15.533 1.00 0.00 C ATOM 310 CG GLN C 349 6.295 -9.020 -15.639 1.00 0.00 C ATOM 311 CD GLN C 349 6.688 -10.375 -15.060 1.00 0.00 C ATOM 312 OE1 GLN C 349 7.707 -10.944 -15.448 1.00 0.00 O ATOM 313 NE2 GLN C 349 5.937 -10.925 -14.146 1.00 0.00 N ATOM 0 H GLN C 349 5.872 -6.884 -14.061 1.00 0.00 H new ATOM 0 HA GLN C 349 7.973 -8.703 -13.540 1.00 0.00 H new ATOM 0 HB2 GLN C 349 7.226 -7.111 -16.046 1.00 0.00 H new ATOM 0 HB3 GLN C 349 8.347 -8.458 -16.024 1.00 0.00 H new ATOM 0 HG2 GLN C 349 5.432 -8.624 -15.104 1.00 0.00 H new ATOM 0 HG3 GLN C 349 5.999 -9.133 -16.682 1.00 0.00 H new ATOM 0 HE21 GLN C 349 5.093 -10.450 -13.826 1.00 0.00 H new ATOM 0 HE22 GLN C 349 6.194 -11.830 -13.751 1.00 0.00 H new ATOM 322 N ALA C 350 8.805 -5.567 -14.094 1.00 0.00 N ATOM 323 CA ALA C 350 9.912 -4.626 -14.023 1.00 0.00 C ATOM 324 C ALA C 350 10.633 -4.746 -12.688 1.00 0.00 C ATOM 325 O ALA C 350 10.025 -4.616 -11.627 1.00 0.00 O ATOM 326 CB ALA C 350 9.389 -3.197 -14.199 1.00 0.00 C ATOM 0 H ALA C 350 7.892 -5.141 -14.256 1.00 0.00 H new ATOM 0 HA ALA C 350 10.616 -4.858 -14.822 1.00 0.00 H new ATOM 0 HB1 ALA C 350 10.222 -2.496 -14.145 1.00 0.00 H new ATOM 0 HB2 ALA C 350 8.900 -3.105 -15.169 1.00 0.00 H new ATOM 0 HB3 ALA C 350 8.673 -2.972 -13.409 1.00 0.00 H new ATOM 332 N ALA C 351 11.938 -4.992 -12.747 1.00 0.00 N ATOM 333 CA ALA C 351 12.741 -5.130 -11.533 1.00 0.00 C ATOM 334 C ALA C 351 14.109 -4.490 -11.721 1.00 0.00 C ATOM 335 O ALA C 351 14.722 -4.613 -12.779 1.00 0.00 O ATOM 336 CB ALA C 351 12.903 -6.610 -11.184 1.00 0.00 C ATOM 0 H ALA C 351 12.461 -5.100 -13.616 1.00 0.00 H new ATOM 0 HA ALA C 351 12.229 -4.621 -10.717 1.00 0.00 H new ATOM 0 HB1 ALA C 351 13.502 -6.707 -10.279 1.00 0.00 H new ATOM 0 HB2 ALA C 351 11.922 -7.054 -11.019 1.00 0.00 H new ATOM 0 HB3 ALA C 351 13.401 -7.125 -12.005 1.00 0.00 H new ATOM 342 N ARG C 352 14.591 -3.816 -10.681 1.00 0.00 N ATOM 343 CA ARG C 352 15.896 -3.171 -10.737 1.00 0.00 C ATOM 344 C ARG C 352 16.549 -3.189 -9.366 1.00 0.00 C ATOM 345 O ARG C 352 15.872 -3.128 -8.346 1.00 0.00 O ATOM 346 CB ARG C 352 15.758 -1.741 -11.241 1.00 0.00 C ATOM 347 CG ARG C 352 17.147 -1.157 -11.510 1.00 0.00 C ATOM 348 CD ARG C 352 17.016 0.064 -12.423 1.00 0.00 C ATOM 349 NE ARG C 352 18.270 0.805 -12.455 1.00 0.00 N ATOM 350 CZ ARG C 352 18.410 1.881 -13.220 1.00 0.00 C ATOM 351 NH1 ARG C 352 17.415 2.289 -13.961 1.00 0.00 N ATOM 352 NH2 ARG C 352 19.540 2.534 -13.230 1.00 0.00 N ATOM 0 H ARG C 352 14.100 -3.703 -9.794 1.00 0.00 H new ATOM 0 HA ARG C 352 16.529 -3.723 -11.432 1.00 0.00 H new ATOM 0 HB2 ARG C 352 15.161 -1.722 -12.153 1.00 0.00 H new ATOM 0 HB3 ARG C 352 15.233 -1.134 -10.504 1.00 0.00 H new ATOM 0 HG2 ARG C 352 17.623 -0.874 -10.571 1.00 0.00 H new ATOM 0 HG3 ARG C 352 17.785 -1.907 -11.977 1.00 0.00 H new ATOM 0 HD2 ARG C 352 16.747 -0.253 -13.430 1.00 0.00 H new ATOM 0 HD3 ARG C 352 16.213 0.709 -12.067 1.00 0.00 H new ATOM 0 HE ARG C 352 19.053 0.492 -11.881 1.00 0.00 H new ATOM 0 HH11 ARG C 352 16.531 1.781 -13.952 1.00 0.00 H new ATOM 0 HH12 ARG C 352 17.522 3.116 -14.549 1.00 0.00 H new ATOM 0 HH21 ARG C 352 20.317 2.218 -12.650 1.00 0.00 H new ATOM 0 HH22 ARG C 352 19.646 3.361 -13.818 1.00 0.00 H new ATOM 366 N LYS C 353 17.877 -3.284 -9.344 1.00 0.00 N ATOM 367 CA LYS C 353 18.610 -3.327 -8.088 1.00 0.00 C ATOM 368 C LYS C 353 19.360 -2.028 -7.830 1.00 0.00 C ATOM 369 O LYS C 353 20.157 -1.588 -8.657 1.00 0.00 O ATOM 370 CB LYS C 353 19.612 -4.491 -8.117 1.00 0.00 C ATOM 371 CG LYS C 353 20.373 -4.555 -6.788 1.00 0.00 C ATOM 372 CD LYS C 353 21.299 -5.773 -6.785 1.00 0.00 C ATOM 373 CE LYS C 353 22.045 -5.843 -5.449 1.00 0.00 C ATOM 374 NZ LYS C 353 22.896 -7.067 -5.419 1.00 0.00 N ATOM 0 H LYS C 353 18.461 -3.332 -10.179 1.00 0.00 H new ATOM 0 HA LYS C 353 17.887 -3.468 -7.285 1.00 0.00 H new ATOM 0 HB2 LYS C 353 19.087 -5.430 -8.292 1.00 0.00 H new ATOM 0 HB3 LYS C 353 20.313 -4.359 -8.942 1.00 0.00 H new ATOM 0 HG2 LYS C 353 20.954 -3.644 -6.646 1.00 0.00 H new ATOM 0 HG3 LYS C 353 19.670 -4.618 -5.957 1.00 0.00 H new ATOM 0 HD2 LYS C 353 20.720 -6.684 -6.939 1.00 0.00 H new ATOM 0 HD3 LYS C 353 22.010 -5.705 -7.608 1.00 0.00 H new ATOM 0 HE2 LYS C 353 22.663 -4.954 -5.318 1.00 0.00 H new ATOM 0 HE3 LYS C 353 21.334 -5.861 -4.623 1.00 0.00 H new ATOM 0 HZ1 LYS C 353 23.403 -7.115 -4.512 1.00 0.00 H new ATOM 0 HZ2 LYS C 353 22.296 -7.910 -5.526 1.00 0.00 H new ATOM 0 HZ3 LYS C 353 23.584 -7.031 -6.198 1.00 0.00 H new ATOM 388 N LEU C 354 19.117 -1.430 -6.670 1.00 0.00 N ATOM 389 CA LEU C 354 19.799 -0.202 -6.310 1.00 0.00 C ATOM 390 C LEU C 354 21.276 -0.469 -6.046 1.00 0.00 C ATOM 391 O LEU C 354 21.672 -1.595 -5.745 1.00 0.00 O ATOM 392 CB LEU C 354 19.158 0.400 -5.045 1.00 0.00 C ATOM 393 CG LEU C 354 17.882 1.155 -5.425 1.00 0.00 C ATOM 394 CD1 LEU C 354 16.991 1.301 -4.189 1.00 0.00 C ATOM 395 CD2 LEU C 354 18.240 2.546 -5.962 1.00 0.00 C ATOM 0 H LEU C 354 18.459 -1.774 -5.971 1.00 0.00 H new ATOM 0 HA LEU C 354 19.707 0.500 -7.139 1.00 0.00 H new ATOM 0 HB2 LEU C 354 18.926 -0.391 -4.331 1.00 0.00 H new ATOM 0 HB3 LEU C 354 19.860 1.075 -4.556 1.00 0.00 H new ATOM 0 HG LEU C 354 17.351 0.598 -6.197 1.00 0.00 H new ATOM 0 HD11 LEU C 354 16.082 1.839 -4.457 1.00 0.00 H new ATOM 0 HD12 LEU C 354 16.730 0.313 -3.810 1.00 0.00 H new ATOM 0 HD13 LEU C 354 17.526 1.856 -3.418 1.00 0.00 H new ATOM 0 HD21 LEU C 354 17.328 3.078 -6.231 1.00 0.00 H new ATOM 0 HD22 LEU C 354 18.774 3.106 -5.194 1.00 0.00 H new ATOM 0 HD23 LEU C 354 18.873 2.444 -6.843 1.00 0.00 H new ATOM 407 N PRO C 355 22.091 0.549 -6.134 1.00 0.00 N ATOM 408 CA PRO C 355 23.556 0.435 -5.880 1.00 0.00 C ATOM 409 C PRO C 355 23.853 0.045 -4.432 1.00 0.00 C ATOM 410 O PRO C 355 24.937 -0.451 -4.124 1.00 0.00 O ATOM 411 CB PRO C 355 24.095 1.843 -6.194 1.00 0.00 C ATOM 412 CG PRO C 355 22.911 2.750 -6.081 1.00 0.00 C ATOM 413 CD PRO C 355 21.712 1.921 -6.504 1.00 0.00 C ATOM 0 HA PRO C 355 24.020 -0.343 -6.486 1.00 0.00 H new ATOM 0 HB2 PRO C 355 24.879 2.130 -5.493 1.00 0.00 H new ATOM 0 HB3 PRO C 355 24.529 1.885 -7.193 1.00 0.00 H new ATOM 0 HG2 PRO C 355 22.794 3.114 -5.060 1.00 0.00 H new ATOM 0 HG3 PRO C 355 23.026 3.625 -6.721 1.00 0.00 H new ATOM 0 HD2 PRO C 355 20.804 2.238 -5.991 1.00 0.00 H new ATOM 0 HD3 PRO C 355 21.521 2.009 -7.573 1.00 0.00 H new ATOM 421 N CYS C 356 22.891 0.290 -3.548 1.00 0.00 N ATOM 422 CA CYS C 356 23.067 -0.030 -2.137 1.00 0.00 C ATOM 423 C CYS C 356 22.828 -1.513 -1.891 1.00 0.00 C ATOM 424 O CYS C 356 23.600 -2.174 -1.200 1.00 0.00 O ATOM 425 CB CYS C 356 22.100 0.804 -1.288 1.00 0.00 C ATOM 426 SG CYS C 356 20.441 0.071 -1.316 1.00 0.00 S ATOM 0 H CYS C 356 21.989 0.706 -3.781 1.00 0.00 H new ATOM 0 HA CYS C 356 24.092 0.208 -1.852 1.00 0.00 H new ATOM 0 HB2 CYS C 356 22.463 0.860 -0.262 1.00 0.00 H new ATOM 0 HB3 CYS C 356 22.060 1.825 -1.668 1.00 0.00 H new ATOM 431 N GLY C 357 21.737 -2.032 -2.454 1.00 0.00 N ATOM 432 CA GLY C 357 21.392 -3.440 -2.286 1.00 0.00 C ATOM 433 C GLY C 357 19.895 -3.609 -2.051 1.00 0.00 C ATOM 434 O GLY C 357 19.480 -4.182 -1.040 1.00 0.00 O ATOM 0 H GLY C 357 21.081 -1.501 -3.027 1.00 0.00 H new ATOM 0 HA2 GLY C 357 21.691 -4.000 -3.172 1.00 0.00 H new ATOM 0 HA3 GLY C 357 21.946 -3.856 -1.444 1.00 0.00 H new ATOM 438 N HIS C 358 19.091 -3.127 -2.993 1.00 0.00 N ATOM 439 CA HIS C 358 17.637 -3.240 -2.881 1.00 0.00 C ATOM 440 C HIS C 358 17.018 -3.461 -4.245 1.00 0.00 C ATOM 441 O HIS C 358 17.487 -2.923 -5.237 1.00 0.00 O ATOM 442 CB HIS C 358 17.066 -1.967 -2.243 1.00 0.00 C ATOM 443 CG HIS C 358 17.117 -2.084 -0.746 1.00 0.00 C ATOM 444 ND1 HIS C 358 18.124 -1.509 0.015 1.00 0.00 N ATOM 445 CD2 HIS C 358 16.288 -2.722 0.145 1.00 0.00 C ATOM 446 CE1 HIS C 358 17.875 -1.812 1.300 1.00 0.00 C ATOM 447 NE2 HIS C 358 16.771 -2.548 1.436 1.00 0.00 N ATOM 0 H HIS C 358 19.416 -2.657 -3.838 1.00 0.00 H new ATOM 0 HA HIS C 358 17.397 -4.096 -2.250 1.00 0.00 H new ATOM 0 HB2 HIS C 358 17.637 -1.098 -2.569 1.00 0.00 H new ATOM 0 HB3 HIS C 358 16.038 -1.814 -2.571 1.00 0.00 H new ATOM 0 HD2 HIS C 358 15.398 -3.274 -0.118 1.00 0.00 H new ATOM 0 HE1 HIS C 358 18.496 -1.497 2.126 1.00 0.00 H new ATOM 0 HE2 HIS C 358 16.368 -2.906 2.302 1.00 0.00 H new ATOM 455 N LEU C 359 15.953 -4.257 -4.288 1.00 0.00 N ATOM 456 CA LEU C 359 15.295 -4.551 -5.552 1.00 0.00 C ATOM 457 C LEU C 359 14.049 -3.719 -5.744 1.00 0.00 C ATOM 458 O LEU C 359 13.044 -3.953 -5.087 1.00 0.00 O ATOM 459 CB LEU C 359 14.893 -6.040 -5.574 1.00 0.00 C ATOM 460 CG LEU C 359 16.136 -6.914 -5.373 1.00 0.00 C ATOM 461 CD1 LEU C 359 15.725 -8.388 -5.301 1.00 0.00 C ATOM 462 CD2 LEU C 359 17.102 -6.713 -6.550 1.00 0.00 C ATOM 0 H LEU C 359 15.534 -4.704 -3.472 1.00 0.00 H new ATOM 0 HA LEU C 359 15.994 -4.316 -6.355 1.00 0.00 H new ATOM 0 HB2 LEU C 359 14.164 -6.241 -4.789 1.00 0.00 H new ATOM 0 HB3 LEU C 359 14.415 -6.284 -6.523 1.00 0.00 H new ATOM 0 HG LEU C 359 16.628 -6.629 -4.443 1.00 0.00 H new ATOM 0 HD11 LEU C 359 16.611 -9.006 -5.158 1.00 0.00 H new ATOM 0 HD12 LEU C 359 15.041 -8.535 -4.465 1.00 0.00 H new ATOM 0 HD13 LEU C 359 15.229 -8.673 -6.229 1.00 0.00 H new ATOM 0 HD21 LEU C 359 17.985 -7.335 -6.406 1.00 0.00 H new ATOM 0 HD22 LEU C 359 16.607 -6.995 -7.479 1.00 0.00 H new ATOM 0 HD23 LEU C 359 17.400 -5.666 -6.601 1.00 0.00 H new ATOM 474 N PHE C 360 14.122 -2.765 -6.677 1.00 0.00 N ATOM 475 CA PHE C 360 12.984 -1.894 -6.992 1.00 0.00 C ATOM 476 C PHE C 360 12.641 -1.965 -8.453 1.00 0.00 C ATOM 477 O PHE C 360 13.498 -2.217 -9.286 1.00 0.00 O ATOM 478 CB PHE C 360 13.347 -0.445 -6.607 1.00 0.00 C ATOM 479 CG PHE C 360 13.312 -0.260 -5.096 1.00 0.00 C ATOM 480 CD1 PHE C 360 12.713 -1.214 -4.249 1.00 0.00 C ATOM 481 CD2 PHE C 360 13.952 0.836 -4.525 1.00 0.00 C ATOM 482 CE1 PHE C 360 12.732 -1.067 -2.888 1.00 0.00 C ATOM 483 CE2 PHE C 360 13.976 0.985 -3.138 1.00 0.00 C ATOM 484 CZ PHE C 360 13.359 0.039 -2.319 1.00 0.00 C ATOM 0 H PHE C 360 14.959 -2.576 -7.229 1.00 0.00 H new ATOM 0 HA PHE C 360 12.113 -2.226 -6.427 1.00 0.00 H new ATOM 0 HB2 PHE C 360 14.340 -0.202 -6.984 1.00 0.00 H new ATOM 0 HB3 PHE C 360 12.649 0.247 -7.079 1.00 0.00 H new ATOM 0 HD1 PHE C 360 12.230 -2.077 -4.682 1.00 0.00 H new ATOM 0 HD2 PHE C 360 14.430 1.571 -5.155 1.00 0.00 H new ATOM 0 HE1 PHE C 360 12.262 -1.807 -2.257 1.00 0.00 H new ATOM 0 HE2 PHE C 360 14.474 1.836 -2.697 1.00 0.00 H new ATOM 0 HZ PHE C 360 13.368 0.164 -1.246 1.00 0.00 H new ATOM 494 N HIS C 361 11.362 -1.759 -8.752 1.00 0.00 N ATOM 495 CA HIS C 361 10.896 -1.812 -10.132 1.00 0.00 C ATOM 496 C HIS C 361 11.446 -0.624 -10.911 1.00 0.00 C ATOM 497 O HIS C 361 11.868 0.371 -10.328 1.00 0.00 O ATOM 498 CB HIS C 361 9.370 -1.793 -10.171 1.00 0.00 C ATOM 499 CG HIS C 361 8.831 -3.000 -9.457 1.00 0.00 C ATOM 500 ND1 HIS C 361 7.509 -3.090 -9.050 1.00 0.00 N ATOM 501 CD2 HIS C 361 9.424 -4.181 -9.076 1.00 0.00 C ATOM 502 CE1 HIS C 361 7.354 -4.291 -8.460 1.00 0.00 C ATOM 503 NE2 HIS C 361 8.489 -4.991 -8.449 1.00 0.00 N ATOM 0 H HIS C 361 10.637 -1.556 -8.064 1.00 0.00 H new ATOM 0 HA HIS C 361 11.251 -2.736 -10.589 1.00 0.00 H new ATOM 0 HB2 HIS C 361 8.996 -0.883 -9.701 1.00 0.00 H new ATOM 0 HB3 HIS C 361 9.023 -1.784 -11.204 1.00 0.00 H new ATOM 0 HD2 HIS C 361 10.460 -4.438 -9.240 1.00 0.00 H new ATOM 0 HE1 HIS C 361 6.422 -4.645 -8.045 1.00 0.00 H new ATOM 0 HE2 HIS C 361 8.638 -5.923 -8.062 1.00 0.00 H new ATOM 511 N ASN C 362 11.441 -0.737 -12.232 1.00 0.00 N ATOM 512 CA ASN C 362 11.957 0.331 -13.081 1.00 0.00 C ATOM 513 C ASN C 362 11.195 1.627 -12.837 1.00 0.00 C ATOM 514 O ASN C 362 11.791 2.705 -12.768 1.00 0.00 O ATOM 515 CB ASN C 362 11.824 -0.068 -14.555 1.00 0.00 C ATOM 516 CG ASN C 362 12.366 1.045 -15.447 1.00 0.00 C ATOM 517 OD1 ASN C 362 13.341 1.707 -15.094 1.00 0.00 O ATOM 518 ND2 ASN C 362 11.786 1.291 -16.591 1.00 0.00 N ATOM 0 H ASN C 362 11.089 -1.550 -12.737 1.00 0.00 H new ATOM 0 HA ASN C 362 13.007 0.489 -12.836 1.00 0.00 H new ATOM 0 HB2 ASN C 362 12.370 -0.993 -14.741 1.00 0.00 H new ATOM 0 HB3 ASN C 362 10.779 -0.261 -14.795 1.00 0.00 H new ATOM 0 HD21 ASN C 362 12.141 2.033 -17.194 1.00 0.00 H new ATOM 0 HD22 ASN C 362 10.978 0.741 -16.882 1.00 0.00 H new ATOM 525 N SER C 363 9.879 1.519 -12.708 1.00 0.00 N ATOM 526 CA SER C 363 9.049 2.691 -12.467 1.00 0.00 C ATOM 527 C SER C 363 9.172 3.161 -11.022 1.00 0.00 C ATOM 528 O SER C 363 9.254 4.359 -10.754 1.00 0.00 O ATOM 529 CB SER C 363 7.588 2.363 -12.776 1.00 0.00 C ATOM 530 OG SER C 363 7.445 2.113 -14.168 1.00 0.00 O ATOM 0 H SER C 363 9.367 0.639 -12.766 1.00 0.00 H new ATOM 0 HA SER C 363 9.393 3.492 -13.121 1.00 0.00 H new ATOM 0 HB2 SER C 363 7.271 1.491 -12.204 1.00 0.00 H new ATOM 0 HB3 SER C 363 6.946 3.192 -12.476 1.00 0.00 H new ATOM 0 HG SER C 363 6.509 1.901 -14.368 1.00 0.00 H new ATOM 536 N CYS C 364 9.168 2.210 -10.096 1.00 0.00 N ATOM 537 CA CYS C 364 9.265 2.540 -8.680 1.00 0.00 C ATOM 538 C CYS C 364 10.625 3.143 -8.356 1.00 0.00 C ATOM 539 O CYS C 364 10.714 4.176 -7.689 1.00 0.00 O ATOM 540 CB CYS C 364 9.053 1.281 -7.834 1.00 0.00 C ATOM 541 SG CYS C 364 7.431 0.578 -8.207 1.00 0.00 S ATOM 0 H CYS C 364 9.099 1.212 -10.298 1.00 0.00 H new ATOM 0 HA CYS C 364 8.492 3.273 -8.448 1.00 0.00 H new ATOM 0 HB2 CYS C 364 9.835 0.552 -8.044 1.00 0.00 H new ATOM 0 HB3 CYS C 364 9.121 1.525 -6.774 1.00 0.00 H new ATOM 546 N LEU C 365 11.680 2.491 -8.827 1.00 0.00 N ATOM 547 CA LEU C 365 13.028 2.975 -8.572 1.00 0.00 C ATOM 548 C LEU C 365 13.253 4.327 -9.250 1.00 0.00 C ATOM 549 O LEU C 365 13.699 5.282 -8.620 1.00 0.00 O ATOM 550 CB LEU C 365 14.050 1.954 -9.092 1.00 0.00 C ATOM 551 CG LEU C 365 15.364 2.088 -8.312 1.00 0.00 C ATOM 552 CD1 LEU C 365 16.354 1.017 -8.774 1.00 0.00 C ATOM 553 CD2 LEU C 365 15.961 3.479 -8.539 1.00 0.00 C ATOM 0 H LEU C 365 11.629 1.636 -9.381 1.00 0.00 H new ATOM 0 HA LEU C 365 13.156 3.102 -7.497 1.00 0.00 H new ATOM 0 HB2 LEU C 365 13.655 0.944 -8.985 1.00 0.00 H new ATOM 0 HB3 LEU C 365 14.230 2.115 -10.155 1.00 0.00 H new ATOM 0 HG LEU C 365 15.164 1.953 -7.249 1.00 0.00 H new ATOM 0 HD11 LEU C 365 17.285 1.117 -8.216 1.00 0.00 H new ATOM 0 HD12 LEU C 365 15.930 0.029 -8.597 1.00 0.00 H new ATOM 0 HD13 LEU C 365 16.553 1.141 -9.838 1.00 0.00 H new ATOM 0 HD21 LEU C 365 16.894 3.570 -7.983 1.00 0.00 H new ATOM 0 HD22 LEU C 365 16.156 3.622 -9.602 1.00 0.00 H new ATOM 0 HD23 LEU C 365 15.258 4.237 -8.194 1.00 0.00 H new ATOM 565 N ARG C 366 12.939 4.396 -10.538 1.00 0.00 N ATOM 566 CA ARG C 366 13.120 5.632 -11.293 1.00 0.00 C ATOM 567 C ARG C 366 12.288 6.751 -10.675 1.00 0.00 C ATOM 568 O ARG C 366 12.772 7.868 -10.493 1.00 0.00 O ATOM 569 CB ARG C 366 12.705 5.417 -12.749 1.00 0.00 C ATOM 570 CG ARG C 366 13.001 6.686 -13.552 1.00 0.00 C ATOM 571 CD ARG C 366 12.684 6.439 -15.027 1.00 0.00 C ATOM 572 NE ARG C 366 13.110 7.577 -15.834 1.00 0.00 N ATOM 573 CZ ARG C 366 12.683 7.735 -17.080 1.00 0.00 C ATOM 574 NH1 ARG C 366 11.866 6.863 -17.606 1.00 0.00 N ATOM 575 NH2 ARG C 366 13.076 8.763 -17.781 1.00 0.00 N ATOM 0 H ARG C 366 12.561 3.618 -11.079 1.00 0.00 H new ATOM 0 HA ARG C 366 14.172 5.916 -11.260 1.00 0.00 H new ATOM 0 HB2 ARG C 366 13.246 4.571 -13.172 1.00 0.00 H new ATOM 0 HB3 ARG C 366 11.643 5.177 -12.805 1.00 0.00 H new ATOM 0 HG2 ARG C 366 12.404 7.516 -13.174 1.00 0.00 H new ATOM 0 HG3 ARG C 366 14.048 6.967 -13.436 1.00 0.00 H new ATOM 0 HD2 ARG C 366 13.187 5.534 -15.368 1.00 0.00 H new ATOM 0 HD3 ARG C 366 11.614 6.275 -15.153 1.00 0.00 H new ATOM 0 HE ARG C 366 13.748 8.264 -15.433 1.00 0.00 H new ATOM 0 HH11 ARG C 366 11.556 6.060 -17.059 1.00 0.00 H new ATOM 0 HH12 ARG C 366 11.538 6.985 -18.564 1.00 0.00 H new ATOM 0 HH21 ARG C 366 13.712 9.447 -17.371 1.00 0.00 H new ATOM 0 HH22 ARG C 366 12.747 8.883 -18.739 1.00 0.00 H new ATOM 589 N SER C 367 11.038 6.437 -10.343 1.00 0.00 N ATOM 590 CA SER C 367 10.150 7.425 -9.740 1.00 0.00 C ATOM 591 C SER C 367 10.785 7.990 -8.474 1.00 0.00 C ATOM 592 O SER C 367 10.731 9.195 -8.225 1.00 0.00 O ATOM 593 CB SER C 367 8.809 6.777 -9.398 1.00 0.00 C ATOM 594 OG SER C 367 8.090 7.626 -8.515 1.00 0.00 O ATOM 0 H SER C 367 10.621 5.516 -10.480 1.00 0.00 H new ATOM 0 HA SER C 367 9.986 8.235 -10.450 1.00 0.00 H new ATOM 0 HB2 SER C 367 8.232 6.606 -10.307 1.00 0.00 H new ATOM 0 HB3 SER C 367 8.970 5.804 -8.935 1.00 0.00 H new ATOM 0 HG SER C 367 7.228 7.214 -8.295 1.00 0.00 H new ATOM 600 N TRP C 368 11.392 7.114 -7.678 1.00 0.00 N ATOM 601 CA TRP C 368 12.045 7.542 -6.444 1.00 0.00 C ATOM 602 C TRP C 368 13.196 8.494 -6.760 1.00 0.00 C ATOM 603 O TRP C 368 13.394 9.498 -6.077 1.00 0.00 O ATOM 604 CB TRP C 368 12.577 6.326 -5.686 1.00 0.00 C ATOM 605 CG TRP C 368 12.953 6.729 -4.296 1.00 0.00 C ATOM 606 CD1 TRP C 368 14.216 6.828 -3.830 1.00 0.00 C ATOM 607 CD2 TRP C 368 12.077 7.092 -3.189 1.00 0.00 C ATOM 608 NE1 TRP C 368 14.172 7.225 -2.504 1.00 0.00 N ATOM 609 CE2 TRP C 368 12.876 7.400 -2.065 1.00 0.00 C ATOM 610 CE3 TRP C 368 10.679 7.180 -3.053 1.00 0.00 C ATOM 611 CZ2 TRP C 368 12.311 7.784 -0.849 1.00 0.00 C ATOM 612 CZ3 TRP C 368 10.106 7.565 -1.830 1.00 0.00 C ATOM 613 CH2 TRP C 368 10.921 7.867 -0.730 1.00 0.00 C ATOM 0 H TRP C 368 11.446 6.112 -7.863 1.00 0.00 H new ATOM 0 HA TRP C 368 11.314 8.061 -5.823 1.00 0.00 H new ATOM 0 HB2 TRP C 368 11.819 5.543 -5.656 1.00 0.00 H new ATOM 0 HB3 TRP C 368 13.443 5.912 -6.203 1.00 0.00 H new ATOM 0 HD1 TRP C 368 15.113 6.630 -4.398 1.00 0.00 H new ATOM 0 HE1 TRP C 368 14.997 7.370 -1.923 1.00 0.00 H new ATOM 0 HE3 TRP C 368 10.043 6.950 -3.895 1.00 0.00 H new ATOM 0 HZ2 TRP C 368 12.944 8.016 -0.005 1.00 0.00 H new ATOM 0 HZ3 TRP C 368 9.032 7.629 -1.736 1.00 0.00 H new ATOM 0 HH2 TRP C 368 10.475 8.163 0.208 1.00 0.00 H new ATOM 624 N LEU C 369 13.956 8.168 -7.802 1.00 0.00 N ATOM 625 CA LEU C 369 15.084 9.004 -8.202 1.00 0.00 C ATOM 626 C LEU C 369 14.599 10.371 -8.676 1.00 0.00 C ATOM 627 O LEU C 369 15.242 11.390 -8.428 1.00 0.00 O ATOM 628 CB LEU C 369 15.862 8.324 -9.331 1.00 0.00 C ATOM 629 CG LEU C 369 16.478 7.021 -8.814 1.00 0.00 C ATOM 630 CD1 LEU C 369 17.142 6.272 -9.974 1.00 0.00 C ATOM 631 CD2 LEU C 369 17.521 7.324 -7.727 1.00 0.00 C ATOM 0 H LEU C 369 13.814 7.339 -8.380 1.00 0.00 H new ATOM 0 HA LEU C 369 15.734 9.139 -7.337 1.00 0.00 H new ATOM 0 HB2 LEU C 369 15.199 8.117 -10.171 1.00 0.00 H new ATOM 0 HB3 LEU C 369 16.644 8.988 -9.699 1.00 0.00 H new ATOM 0 HG LEU C 369 15.691 6.401 -8.385 1.00 0.00 H new ATOM 0 HD11 LEU C 369 17.580 5.345 -9.605 1.00 0.00 H new ATOM 0 HD12 LEU C 369 16.395 6.043 -10.734 1.00 0.00 H new ATOM 0 HD13 LEU C 369 17.924 6.895 -10.409 1.00 0.00 H new ATOM 0 HD21 LEU C 369 17.953 6.390 -7.366 1.00 0.00 H new ATOM 0 HD22 LEU C 369 18.309 7.951 -8.144 1.00 0.00 H new ATOM 0 HD23 LEU C 369 17.042 7.846 -6.899 1.00 0.00 H new ATOM 643 N GLU C 370 13.461 10.380 -9.364 1.00 0.00 N ATOM 644 CA GLU C 370 12.902 11.625 -9.878 1.00 0.00 C ATOM 645 C GLU C 370 12.474 12.536 -8.735 1.00 0.00 C ATOM 646 O GLU C 370 12.742 13.738 -8.753 1.00 0.00 O ATOM 647 CB GLU C 370 11.699 11.326 -10.774 1.00 0.00 C ATOM 648 CG GLU C 370 11.191 12.626 -11.399 1.00 0.00 C ATOM 649 CD GLU C 370 10.062 12.327 -12.379 1.00 0.00 C ATOM 650 OE1 GLU C 370 9.922 11.175 -12.757 1.00 0.00 O ATOM 651 OE2 GLU C 370 9.355 13.254 -12.740 1.00 0.00 O ATOM 0 H GLU C 370 12.912 9.547 -9.577 1.00 0.00 H new ATOM 0 HA GLU C 370 13.672 12.132 -10.460 1.00 0.00 H new ATOM 0 HB2 GLU C 370 11.981 10.621 -11.556 1.00 0.00 H new ATOM 0 HB3 GLU C 370 10.906 10.856 -10.192 1.00 0.00 H new ATOM 0 HG2 GLU C 370 10.838 13.300 -10.619 1.00 0.00 H new ATOM 0 HG3 GLU C 370 12.006 13.134 -11.914 1.00 0.00 H new ATOM 658 N GLN C 371 11.809 11.959 -7.740 1.00 0.00 N ATOM 659 CA GLN C 371 11.354 12.731 -6.592 1.00 0.00 C ATOM 660 C GLN C 371 12.441 12.799 -5.527 1.00 0.00 C ATOM 661 O GLN C 371 12.883 13.882 -5.143 1.00 0.00 O ATOM 662 CB GLN C 371 10.092 12.091 -6.000 1.00 0.00 C ATOM 663 CG GLN C 371 9.326 13.131 -5.172 1.00 0.00 C ATOM 664 CD GLN C 371 10.177 13.585 -3.989 1.00 0.00 C ATOM 665 OE1 GLN C 371 10.885 14.588 -4.083 1.00 0.00 O ATOM 666 NE2 GLN C 371 10.160 12.897 -2.882 1.00 0.00 N ATOM 0 H GLN C 371 11.575 10.967 -7.706 1.00 0.00 H new ATOM 0 HA GLN C 371 11.126 13.744 -6.925 1.00 0.00 H new ATOM 0 HB2 GLN C 371 9.457 11.709 -6.799 1.00 0.00 H new ATOM 0 HB3 GLN C 371 10.363 11.241 -5.374 1.00 0.00 H new ATOM 0 HG2 GLN C 371 9.069 13.987 -5.796 1.00 0.00 H new ATOM 0 HG3 GLN C 371 8.389 12.705 -4.814 1.00 0.00 H new ATOM 0 HE21 GLN C 371 9.573 12.067 -2.807 1.00 0.00 H new ATOM 0 HE22 GLN C 371 10.734 13.189 -2.091 1.00 0.00 H new ATOM 675 N ASP C 372 12.862 11.633 -5.044 1.00 0.00 N ATOM 676 CA ASP C 372 13.893 11.565 -4.013 1.00 0.00 C ATOM 677 C ASP C 372 15.239 11.287 -4.643 1.00 0.00 C ATOM 678 O ASP C 372 15.620 11.958 -5.596 1.00 0.00 O ATOM 679 CB ASP C 372 13.559 10.471 -3.002 1.00 0.00 C ATOM 680 CG ASP C 372 12.241 10.788 -2.310 1.00 0.00 C ATOM 681 OD1 ASP C 372 12.108 11.893 -1.806 1.00 0.00 O ATOM 682 OD2 ASP C 372 11.384 9.923 -2.293 1.00 0.00 O ATOM 0 H ASP C 372 12.507 10.727 -5.348 1.00 0.00 H new ATOM 0 HA ASP C 372 13.932 12.524 -3.496 1.00 0.00 H new ATOM 0 HB2 ASP C 372 13.492 9.507 -3.506 1.00 0.00 H new ATOM 0 HB3 ASP C 372 14.357 10.390 -2.264 1.00 0.00 H new ATOM 687 N THR C 373 15.961 10.303 -4.094 1.00 0.00 N ATOM 688 CA THR C 373 17.278 9.937 -4.601 1.00 0.00 C ATOM 689 C THR C 373 18.050 9.127 -3.575 1.00 0.00 C ATOM 690 O THR C 373 19.064 8.514 -3.897 1.00 0.00 O ATOM 691 CB THR C 373 18.073 11.208 -4.973 1.00 0.00 C ATOM 692 OG1 THR C 373 17.512 12.336 -4.303 1.00 0.00 O ATOM 693 CG2 THR C 373 18.026 11.440 -6.492 1.00 0.00 C ATOM 0 H THR C 373 15.650 9.748 -3.297 1.00 0.00 H new ATOM 0 HA THR C 373 17.142 9.323 -5.491 1.00 0.00 H new ATOM 0 HB THR C 373 19.111 11.077 -4.666 1.00 0.00 H new ATOM 0 HG1 THR C 373 16.914 12.815 -4.914 1.00 0.00 H new ATOM 0 HG21 THR C 373 18.590 12.339 -6.740 1.00 0.00 H new ATOM 0 HG22 THR C 373 18.464 10.584 -7.005 1.00 0.00 H new ATOM 0 HG23 THR C 373 16.990 11.562 -6.810 1.00 0.00 H new ATOM 701 N SER C 374 17.578 9.150 -2.344 1.00 0.00 N ATOM 702 CA SER C 374 18.235 8.423 -1.263 1.00 0.00 C ATOM 703 C SER C 374 17.661 7.023 -1.137 1.00 0.00 C ATOM 704 O SER C 374 16.707 6.674 -1.832 1.00 0.00 O ATOM 705 CB SER C 374 18.063 9.169 0.059 1.00 0.00 C ATOM 706 OG SER C 374 16.692 9.157 0.430 1.00 0.00 O ATOM 0 H SER C 374 16.742 9.663 -2.062 1.00 0.00 H new ATOM 0 HA SER C 374 19.297 8.350 -1.497 1.00 0.00 H new ATOM 0 HB2 SER C 374 18.666 8.699 0.836 1.00 0.00 H new ATOM 0 HB3 SER C 374 18.416 10.196 -0.041 1.00 0.00 H new ATOM 0 HG SER C 374 16.579 9.633 1.279 1.00 0.00 H new ATOM 712 N CYS C 375 18.252 6.223 -0.249 1.00 0.00 N ATOM 713 CA CYS C 375 17.792 4.857 -0.040 1.00 0.00 C ATOM 714 C CYS C 375 16.668 4.820 1.000 1.00 0.00 C ATOM 715 O CYS C 375 16.883 5.140 2.164 1.00 0.00 O ATOM 716 CB CYS C 375 18.938 3.976 0.415 1.00 0.00 C ATOM 717 SG CYS C 375 18.321 2.301 0.702 1.00 0.00 S ATOM 0 H CYS C 375 19.044 6.498 0.332 1.00 0.00 H new ATOM 0 HA CYS C 375 17.408 4.480 -0.988 1.00 0.00 H new ATOM 0 HB2 CYS C 375 19.724 3.963 -0.340 1.00 0.00 H new ATOM 0 HB3 CYS C 375 19.379 4.375 1.328 1.00 0.00 H new ATOM 722 N PRO C 376 15.484 4.436 0.609 1.00 0.00 N ATOM 723 CA PRO C 376 14.317 4.358 1.532 1.00 0.00 C ATOM 724 C PRO C 376 14.609 3.515 2.770 1.00 0.00 C ATOM 725 O PRO C 376 14.018 3.724 3.828 1.00 0.00 O ATOM 726 CB PRO C 376 13.225 3.688 0.676 1.00 0.00 C ATOM 727 CG PRO C 376 13.607 3.959 -0.737 1.00 0.00 C ATOM 728 CD PRO C 376 15.119 4.032 -0.761 1.00 0.00 C ATOM 0 HA PRO C 376 14.038 5.340 1.914 1.00 0.00 H new ATOM 0 HB2 PRO C 376 13.176 2.617 0.871 1.00 0.00 H new ATOM 0 HB3 PRO C 376 12.241 4.099 0.903 1.00 0.00 H new ATOM 0 HG2 PRO C 376 13.245 3.170 -1.396 1.00 0.00 H new ATOM 0 HG3 PRO C 376 13.167 4.893 -1.087 1.00 0.00 H new ATOM 0 HD2 PRO C 376 15.560 3.070 -1.023 1.00 0.00 H new ATOM 0 HD3 PRO C 376 15.471 4.755 -1.497 1.00 0.00 H new ATOM 736 N THR C 377 15.521 2.559 2.627 1.00 0.00 N ATOM 737 CA THR C 377 15.878 1.680 3.738 1.00 0.00 C ATOM 738 C THR C 377 17.210 2.087 4.354 1.00 0.00 C ATOM 739 O THR C 377 17.263 2.526 5.503 1.00 0.00 O ATOM 740 CB THR C 377 15.957 0.234 3.244 1.00 0.00 C ATOM 741 OG1 THR C 377 14.668 -0.198 2.824 1.00 0.00 O ATOM 742 CG2 THR C 377 16.454 -0.670 4.376 1.00 0.00 C ATOM 0 H THR C 377 16.024 2.373 1.760 1.00 0.00 H new ATOM 0 HA THR C 377 15.108 1.766 4.505 1.00 0.00 H new ATOM 0 HB THR C 377 16.650 0.178 2.405 1.00 0.00 H new ATOM 0 HG1 THR C 377 14.721 -1.124 2.506 1.00 0.00 H new ATOM 0 HG21 THR C 377 16.509 -1.699 4.022 1.00 0.00 H new ATOM 0 HG22 THR C 377 17.443 -0.342 4.696 1.00 0.00 H new ATOM 0 HG23 THR C 377 15.763 -0.612 5.217 1.00 0.00 H new ATOM 750 N CYS C 378 18.281 1.919 3.591 1.00 0.00 N ATOM 751 CA CYS C 378 19.610 2.248 4.081 1.00 0.00 C ATOM 752 C CYS C 378 19.687 3.716 4.484 1.00 0.00 C ATOM 753 O CYS C 378 20.522 4.102 5.304 1.00 0.00 O ATOM 754 CB CYS C 378 20.657 1.957 2.999 1.00 0.00 C ATOM 755 SG CYS C 378 20.465 0.263 2.398 1.00 0.00 S ATOM 0 H CYS C 378 18.256 1.559 2.637 1.00 0.00 H new ATOM 0 HA CYS C 378 19.813 1.632 4.957 1.00 0.00 H new ATOM 0 HB2 CYS C 378 20.545 2.660 2.174 1.00 0.00 H new ATOM 0 HB3 CYS C 378 21.659 2.097 3.403 1.00 0.00 H new ATOM 760 N ARG C 379 18.815 4.531 3.897 1.00 0.00 N ATOM 761 CA ARG C 379 18.795 5.957 4.198 1.00 0.00 C ATOM 762 C ARG C 379 20.102 6.608 3.768 1.00 0.00 C ATOM 763 O ARG C 379 20.469 7.673 4.263 1.00 0.00 O ATOM 764 CB ARG C 379 18.585 6.172 5.702 1.00 0.00 C ATOM 765 CG ARG C 379 17.979 7.559 5.942 1.00 0.00 C ATOM 766 CD ARG C 379 17.729 7.758 7.434 1.00 0.00 C ATOM 767 NE ARG C 379 18.997 7.785 8.158 1.00 0.00 N ATOM 768 CZ ARG C 379 19.687 8.913 8.295 1.00 0.00 C ATOM 769 NH1 ARG C 379 19.233 10.022 7.778 1.00 0.00 N ATOM 770 NH2 ARG C 379 20.815 8.912 8.949 1.00 0.00 N ATOM 0 H ARG C 379 18.118 4.230 3.215 1.00 0.00 H new ATOM 0 HA ARG C 379 17.973 6.416 3.649 1.00 0.00 H new ATOM 0 HB2 ARG C 379 17.925 5.402 6.101 1.00 0.00 H new ATOM 0 HB3 ARG C 379 19.535 6.083 6.229 1.00 0.00 H new ATOM 0 HG2 ARG C 379 18.653 8.331 5.570 1.00 0.00 H new ATOM 0 HG3 ARG C 379 17.044 7.659 5.390 1.00 0.00 H new ATOM 0 HD2 ARG C 379 17.188 8.690 7.598 1.00 0.00 H new ATOM 0 HD3 ARG C 379 17.101 6.953 7.816 1.00 0.00 H new ATOM 0 HE ARG C 379 19.360 6.923 8.566 1.00 0.00 H new ATOM 0 HH11 ARG C 379 18.349 10.023 7.269 1.00 0.00 H new ATOM 0 HH12 ARG C 379 19.762 10.888 7.883 1.00 0.00 H new ATOM 0 HH21 ARG C 379 21.168 8.046 9.356 1.00 0.00 H new ATOM 0 HH22 ARG C 379 21.344 9.778 9.054 1.00 0.00 H new ATOM 784 N MET C 380 20.808 5.961 2.848 1.00 0.00 N ATOM 785 CA MET C 380 22.083 6.485 2.363 1.00 0.00 C ATOM 786 C MET C 380 21.924 7.077 0.967 1.00 0.00 C ATOM 787 O MET C 380 21.262 6.495 0.106 1.00 0.00 O ATOM 788 CB MET C 380 23.126 5.365 2.331 1.00 0.00 C ATOM 789 CG MET C 380 24.514 5.967 2.100 1.00 0.00 C ATOM 790 SD MET C 380 25.036 6.862 3.585 1.00 0.00 S ATOM 791 CE MET C 380 25.818 5.466 4.429 1.00 0.00 C ATOM 0 H MET C 380 20.523 5.078 2.424 1.00 0.00 H new ATOM 0 HA MET C 380 22.414 7.272 3.041 1.00 0.00 H new ATOM 0 HB2 MET C 380 23.110 4.811 3.270 1.00 0.00 H new ATOM 0 HB3 MET C 380 22.889 4.655 1.538 1.00 0.00 H new ATOM 0 HG2 MET C 380 25.230 5.179 1.866 1.00 0.00 H new ATOM 0 HG3 MET C 380 24.492 6.642 1.244 1.00 0.00 H new ATOM 0 HE1 MET C 380 26.218 5.798 5.387 1.00 0.00 H new ATOM 0 HE2 MET C 380 25.080 4.682 4.596 1.00 0.00 H new ATOM 0 HE3 MET C 380 26.629 5.076 3.813 1.00 0.00 H new ATOM 801 N SER C 381 22.536 8.235 0.751 1.00 0.00 N ATOM 802 CA SER C 381 22.464 8.898 -0.544 1.00 0.00 C ATOM 803 C SER C 381 23.375 8.197 -1.548 1.00 0.00 C ATOM 804 O SER C 381 24.595 8.356 -1.510 1.00 0.00 O ATOM 805 CB SER C 381 22.881 10.361 -0.411 1.00 0.00 C ATOM 806 OG SER C 381 22.229 10.933 0.715 1.00 0.00 O ATOM 0 H SER C 381 23.085 8.732 1.452 1.00 0.00 H new ATOM 0 HA SER C 381 21.435 8.849 -0.900 1.00 0.00 H new ATOM 0 HB2 SER C 381 23.962 10.434 -0.296 1.00 0.00 H new ATOM 0 HB3 SER C 381 22.619 10.910 -1.316 1.00 0.00 H new ATOM 0 HG SER C 381 22.495 11.872 0.805 1.00 0.00 H new ATOM 812 N LEU C 382 22.775 7.424 -2.445 1.00 0.00 N ATOM 813 CA LEU C 382 23.547 6.704 -3.454 1.00 0.00 C ATOM 814 C LEU C 382 24.135 7.681 -4.472 1.00 0.00 C ATOM 815 O LEU C 382 24.185 7.393 -5.670 1.00 0.00 O ATOM 816 CB LEU C 382 22.648 5.699 -4.183 1.00 0.00 C ATOM 817 CG LEU C 382 21.292 6.364 -4.521 1.00 0.00 C ATOM 818 CD1 LEU C 382 20.952 6.120 -5.991 1.00 0.00 C ATOM 819 CD2 LEU C 382 20.193 5.766 -3.634 1.00 0.00 C ATOM 0 H LEU C 382 21.767 7.279 -2.496 1.00 0.00 H new ATOM 0 HA LEU C 382 24.358 6.175 -2.954 1.00 0.00 H new ATOM 0 HB2 LEU C 382 23.134 5.357 -5.097 1.00 0.00 H new ATOM 0 HB3 LEU C 382 22.488 4.820 -3.559 1.00 0.00 H new ATOM 0 HG LEU C 382 21.361 7.437 -4.340 1.00 0.00 H new ATOM 0 HD11 LEU C 382 19.997 6.589 -6.226 1.00 0.00 H new ATOM 0 HD12 LEU C 382 21.732 6.549 -6.621 1.00 0.00 H new ATOM 0 HD13 LEU C 382 20.885 5.048 -6.176 1.00 0.00 H new ATOM 0 HD21 LEU C 382 19.238 6.235 -3.872 1.00 0.00 H new ATOM 0 HD22 LEU C 382 20.125 4.693 -3.812 1.00 0.00 H new ATOM 0 HD23 LEU C 382 20.434 5.945 -2.586 1.00 0.00 H new ATOM 831 N ASN C 383 24.577 8.837 -3.991 1.00 0.00 N ATOM 832 CA ASN C 383 25.158 9.848 -4.865 1.00 0.00 C ATOM 833 C ASN C 383 26.640 9.568 -5.082 1.00 0.00 C ATOM 834 O ASN C 383 27.455 9.730 -4.174 1.00 0.00 O ATOM 835 CB ASN C 383 24.987 11.236 -4.245 1.00 0.00 C ATOM 836 CG ASN C 383 25.451 12.305 -5.229 1.00 0.00 C ATOM 837 OD1 ASN C 383 26.379 12.075 -6.006 1.00 0.00 O ATOM 838 ND2 ASN C 383 24.858 13.467 -5.242 1.00 0.00 N ATOM 0 H ASN C 383 24.544 9.097 -3.005 1.00 0.00 H new ATOM 0 HA ASN C 383 24.644 9.815 -5.825 1.00 0.00 H new ATOM 0 HB2 ASN C 383 23.942 11.400 -3.982 1.00 0.00 H new ATOM 0 HB3 ASN C 383 25.562 11.305 -3.322 1.00 0.00 H new ATOM 0 HD21 ASN C 383 25.162 14.188 -5.897 1.00 0.00 H new ATOM 0 HD22 ASN C 383 24.090 13.655 -4.598 1.00 0.00 H new ATOM 845 N ILE C 384 26.987 9.149 -6.296 1.00 0.00 N ATOM 846 CA ILE C 384 28.377 8.850 -6.628 1.00 0.00 C ATOM 847 C ILE C 384 28.679 9.230 -8.075 1.00 0.00 C ATOM 848 O ILE C 384 29.529 8.589 -8.668 1.00 0.00 O ATOM 849 CB ILE C 384 28.653 7.361 -6.418 1.00 0.00 C ATOM 850 CG1 ILE C 384 27.658 6.535 -7.242 1.00 0.00 C ATOM 851 CG2 ILE C 384 28.497 7.013 -4.937 1.00 0.00 C ATOM 852 CD1 ILE C 384 28.033 5.055 -7.164 1.00 0.00 C ATOM 0 H ILE C 384 26.329 9.009 -7.063 1.00 0.00 H new ATOM 0 HA ILE C 384 29.022 9.435 -5.972 1.00 0.00 H new ATOM 0 HB ILE C 384 29.670 7.134 -6.739 1.00 0.00 H new ATOM 0 HG12 ILE C 384 26.646 6.685 -6.866 1.00 0.00 H new ATOM 0 HG13 ILE C 384 27.665 6.868 -8.280 1.00 0.00 H new ATOM 0 HG21 ILE C 384 28.694 5.951 -4.790 1.00 0.00 H new ATOM 0 HG22 ILE C 384 29.204 7.598 -4.349 1.00 0.00 H new ATOM 0 HG23 ILE C 384 27.481 7.241 -4.615 1.00 0.00 H new ATOM 0 HD11 ILE C 384 27.325 4.469 -7.750 1.00 0.00 H new ATOM 0 HD12 ILE C 384 29.038 4.913 -7.561 1.00 0.00 H new ATOM 0 HD13 ILE C 384 28.004 4.726 -6.125 1.00 0.00 H new TER 864 ILE C 384 HETATM 865 ZN ZN C 900 7.404 -1.667 -7.486 1.00 0.00 ZN HETATM 866 ZN ZN C 901 19.047 0.300 0.536 1.00 0.00 ZN