USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, 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 NoAdj-H: C 361 HIS HD1 : C 361 HIS ND1 : C 900 ZNZN :(H bumps) USER MOD Single : C 330 THR OG1 : rot 180:sc= 0 USER MOD Single : C 337 ASN : amide:sc= -1.47! C(o=-1.5!,f=-4.6!) USER MOD Single : C 338 ASN : amide:sc= -2.24! C(o=-2.2!,f=-6!) USER MOD Single : C 347 SER OG : rot 180:sc= 0 USER MOD Single : C 348 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 349 GLN : amide:sc= -0.453 X(o=-0.45,f=-0.47) USER MOD Single : C 353 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 362 ASN : amide:sc= 0 K(o=0,f=-0.8) 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= 0 X(o=0,f=-0.35) USER MOD Single : C 373 THR OG1 : rot -94:sc= -0.741! USER MOD Single : C 374 SER OG : rot -75:sc= 0.912 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 16:sc= 0.975 USER MOD Single : C 383 ASN : amide:sc= -0.0214 K(o=-0.021,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA C 327 16.427 0.879 -16.328 1.00 0.00 N ATOM 2 CA ALA C 327 17.269 -0.154 -16.994 1.00 0.00 C ATOM 3 C ALA C 327 17.284 -1.414 -16.146 1.00 0.00 C ATOM 4 O ALA C 327 17.612 -1.371 -14.961 1.00 0.00 O ATOM 5 CB ALA C 327 18.694 0.379 -17.156 1.00 0.00 C ATOM 0 HA ALA C 327 16.858 -0.386 -17.977 1.00 0.00 H new ATOM 0 HB1 ALA C 327 19.312 -0.376 -17.643 1.00 0.00 H new ATOM 0 HB2 ALA C 327 18.677 1.283 -17.765 1.00 0.00 H new ATOM 0 HB3 ALA C 327 19.110 0.610 -16.175 1.00 0.00 H new ATOM 11 N VAL C 328 16.925 -2.543 -16.756 1.00 0.00 N ATOM 12 CA VAL C 328 16.899 -3.819 -16.038 1.00 0.00 C ATOM 13 C VAL C 328 17.875 -4.795 -16.671 1.00 0.00 C ATOM 14 O VAL C 328 17.881 -4.989 -17.886 1.00 0.00 O ATOM 15 CB VAL C 328 15.486 -4.408 -16.077 1.00 0.00 C ATOM 16 CG1 VAL C 328 15.498 -5.800 -15.439 1.00 0.00 C ATOM 17 CG2 VAL C 328 14.530 -3.494 -15.308 1.00 0.00 C ATOM 0 H VAL C 328 16.650 -2.602 -17.737 1.00 0.00 H new ATOM 0 HA VAL C 328 17.190 -3.646 -15.002 1.00 0.00 H new ATOM 0 HB VAL C 328 15.151 -4.488 -17.111 1.00 0.00 H new ATOM 0 HG11 VAL C 328 14.493 -6.221 -15.466 1.00 0.00 H new ATOM 0 HG12 VAL C 328 16.178 -6.448 -15.992 1.00 0.00 H new ATOM 0 HG13 VAL C 328 15.832 -5.723 -14.404 1.00 0.00 H new ATOM 0 HG21 VAL C 328 13.524 -3.913 -15.336 1.00 0.00 H new ATOM 0 HG22 VAL C 328 14.860 -3.411 -14.272 1.00 0.00 H new ATOM 0 HG23 VAL C 328 14.524 -2.505 -15.767 1.00 0.00 H new ATOM 27 N ALA C 329 18.706 -5.417 -15.836 1.00 0.00 N ATOM 28 CA ALA C 329 19.694 -6.382 -16.318 1.00 0.00 C ATOM 29 C ALA C 329 19.485 -7.736 -15.653 1.00 0.00 C ATOM 30 O ALA C 329 20.040 -8.746 -16.092 1.00 0.00 O ATOM 31 CB ALA C 329 21.105 -5.874 -16.020 1.00 0.00 C ATOM 0 H ALA C 329 18.715 -5.271 -14.827 1.00 0.00 H new ATOM 0 HA ALA C 329 19.571 -6.497 -17.395 1.00 0.00 H new ATOM 0 HB1 ALA C 329 21.836 -6.597 -16.381 1.00 0.00 H new ATOM 0 HB2 ALA C 329 21.261 -4.919 -16.521 1.00 0.00 H new ATOM 0 HB3 ALA C 329 21.225 -5.743 -14.945 1.00 0.00 H new ATOM 37 N THR C 330 18.687 -7.751 -14.588 1.00 0.00 N ATOM 38 CA THR C 330 18.422 -8.984 -13.868 1.00 0.00 C ATOM 39 C THR C 330 17.351 -9.810 -14.583 1.00 0.00 C ATOM 40 O THR C 330 16.414 -9.251 -15.163 1.00 0.00 O ATOM 41 CB THR C 330 17.962 -8.679 -12.442 1.00 0.00 C ATOM 42 OG1 THR C 330 16.760 -7.926 -12.487 1.00 0.00 O ATOM 43 CG2 THR C 330 19.045 -7.880 -11.721 1.00 0.00 C ATOM 0 H THR C 330 18.218 -6.928 -14.210 1.00 0.00 H new ATOM 0 HA THR C 330 19.347 -9.559 -13.833 1.00 0.00 H new ATOM 0 HB THR C 330 17.784 -9.611 -11.905 1.00 0.00 H new ATOM 0 HG1 THR C 330 16.462 -7.731 -11.574 1.00 0.00 H new ATOM 0 HG21 THR C 330 18.719 -7.661 -10.704 1.00 0.00 H new ATOM 0 HG22 THR C 330 19.966 -8.462 -11.690 1.00 0.00 H new ATOM 0 HG23 THR C 330 19.223 -6.946 -12.254 1.00 0.00 H new ATOM 51 N PRO C 331 17.464 -11.113 -14.549 1.00 0.00 N ATOM 52 CA PRO C 331 16.479 -12.022 -15.203 1.00 0.00 C ATOM 53 C PRO C 331 15.151 -12.071 -14.453 1.00 0.00 C ATOM 54 O PRO C 331 15.096 -11.816 -13.250 1.00 0.00 O ATOM 55 CB PRO C 331 17.181 -13.390 -15.170 1.00 0.00 C ATOM 56 CG PRO C 331 18.071 -13.328 -13.971 1.00 0.00 C ATOM 57 CD PRO C 331 18.540 -11.875 -13.882 1.00 0.00 C ATOM 0 HA PRO C 331 16.218 -11.692 -16.209 1.00 0.00 H new ATOM 0 HB2 PRO C 331 16.460 -14.204 -15.087 1.00 0.00 H new ATOM 0 HB3 PRO C 331 17.754 -13.564 -16.081 1.00 0.00 H new ATOM 0 HG2 PRO C 331 17.535 -13.623 -13.069 1.00 0.00 H new ATOM 0 HG3 PRO C 331 18.917 -14.007 -14.075 1.00 0.00 H new ATOM 0 HD2 PRO C 331 18.670 -11.560 -12.847 1.00 0.00 H new ATOM 0 HD3 PRO C 331 19.499 -11.733 -14.381 1.00 0.00 H new ATOM 65 N GLU C 332 14.090 -12.428 -15.168 1.00 0.00 N ATOM 66 CA GLU C 332 12.773 -12.539 -14.557 1.00 0.00 C ATOM 67 C GLU C 332 12.812 -13.543 -13.406 1.00 0.00 C ATOM 68 O GLU C 332 11.937 -13.553 -12.549 1.00 0.00 O ATOM 69 CB GLU C 332 11.751 -12.998 -15.599 1.00 0.00 C ATOM 70 CG GLU C 332 11.528 -11.884 -16.617 1.00 0.00 C ATOM 71 CD GLU C 332 10.583 -12.359 -17.715 1.00 0.00 C ATOM 72 OE1 GLU C 332 10.108 -13.478 -17.616 1.00 0.00 O ATOM 73 OE2 GLU C 332 10.350 -11.598 -18.640 1.00 0.00 O ATOM 0 H GLU C 332 14.116 -12.644 -16.165 1.00 0.00 H new ATOM 0 HA GLU C 332 12.482 -11.562 -14.172 1.00 0.00 H new ATOM 0 HB2 GLU C 332 12.106 -13.898 -16.101 1.00 0.00 H new ATOM 0 HB3 GLU C 332 10.810 -13.255 -15.113 1.00 0.00 H new ATOM 0 HG2 GLU C 332 11.111 -11.007 -16.122 1.00 0.00 H new ATOM 0 HG3 GLU C 332 12.481 -11.582 -17.052 1.00 0.00 H new ATOM 80 N GLU C 333 13.838 -14.386 -13.391 1.00 0.00 N ATOM 81 CA GLU C 333 13.974 -15.384 -12.336 1.00 0.00 C ATOM 82 C GLU C 333 13.916 -14.726 -10.962 1.00 0.00 C ATOM 83 O GLU C 333 13.150 -15.147 -10.094 1.00 0.00 O ATOM 84 CB GLU C 333 15.310 -16.123 -12.492 1.00 0.00 C ATOM 85 CG GLU C 333 15.230 -17.081 -13.678 1.00 0.00 C ATOM 86 CD GLU C 333 16.566 -17.791 -13.865 1.00 0.00 C ATOM 87 OE1 GLU C 333 17.458 -17.554 -13.067 1.00 0.00 O ATOM 88 OE2 GLU C 333 16.678 -18.564 -14.803 1.00 0.00 O ATOM 0 H GLU C 333 14.581 -14.399 -14.090 1.00 0.00 H new ATOM 0 HA GLU C 333 13.149 -16.092 -12.421 1.00 0.00 H new ATOM 0 HB2 GLU C 333 16.118 -15.407 -12.644 1.00 0.00 H new ATOM 0 HB3 GLU C 333 15.540 -16.675 -11.581 1.00 0.00 H new ATOM 0 HG2 GLU C 333 14.440 -17.813 -13.512 1.00 0.00 H new ATOM 0 HG3 GLU C 333 14.971 -16.532 -14.583 1.00 0.00 H new ATOM 95 N LEU C 334 14.727 -13.691 -10.770 1.00 0.00 N ATOM 96 CA LEU C 334 14.751 -12.987 -9.502 1.00 0.00 C ATOM 97 C LEU C 334 13.460 -12.210 -9.277 1.00 0.00 C ATOM 98 O LEU C 334 12.877 -12.253 -8.193 1.00 0.00 O ATOM 99 CB LEU C 334 15.947 -12.026 -9.462 1.00 0.00 C ATOM 100 CG LEU C 334 15.891 -11.176 -8.183 1.00 0.00 C ATOM 101 CD1 LEU C 334 15.820 -12.094 -6.956 1.00 0.00 C ATOM 102 CD2 LEU C 334 17.145 -10.304 -8.098 1.00 0.00 C ATOM 0 H LEU C 334 15.370 -13.326 -11.473 1.00 0.00 H new ATOM 0 HA LEU C 334 14.847 -13.726 -8.707 1.00 0.00 H new ATOM 0 HB2 LEU C 334 16.879 -12.590 -9.494 1.00 0.00 H new ATOM 0 HB3 LEU C 334 15.935 -11.380 -10.340 1.00 0.00 H new ATOM 0 HG LEU C 334 15.006 -10.540 -8.208 1.00 0.00 H new ATOM 0 HD11 LEU C 334 15.780 -11.489 -6.050 1.00 0.00 H new ATOM 0 HD12 LEU C 334 14.926 -12.714 -7.017 1.00 0.00 H new ATOM 0 HD13 LEU C 334 16.703 -12.732 -6.927 1.00 0.00 H new ATOM 0 HD21 LEU C 334 17.107 -9.700 -7.191 1.00 0.00 H new ATOM 0 HD22 LEU C 334 18.030 -10.940 -8.074 1.00 0.00 H new ATOM 0 HD23 LEU C 334 17.193 -9.649 -8.968 1.00 0.00 H new ATOM 114 N ALA C 335 13.029 -11.491 -10.306 1.00 0.00 N ATOM 115 CA ALA C 335 11.814 -10.695 -10.208 1.00 0.00 C ATOM 116 C ALA C 335 10.606 -11.589 -9.947 1.00 0.00 C ATOM 117 O ALA C 335 9.808 -11.328 -9.047 1.00 0.00 O ATOM 118 CB ALA C 335 11.601 -9.908 -11.503 1.00 0.00 C ATOM 0 H ALA C 335 13.499 -11.443 -11.210 1.00 0.00 H new ATOM 0 HA ALA C 335 11.922 -10.001 -9.375 1.00 0.00 H new ATOM 0 HB1 ALA C 335 10.690 -9.315 -11.423 1.00 0.00 H new ATOM 0 HB2 ALA C 335 12.451 -9.247 -11.671 1.00 0.00 H new ATOM 0 HB3 ALA C 335 11.510 -10.601 -12.339 1.00 0.00 H new ATOM 124 N VAL C 336 10.485 -12.649 -10.734 1.00 0.00 N ATOM 125 CA VAL C 336 9.367 -13.575 -10.589 1.00 0.00 C ATOM 126 C VAL C 336 9.362 -14.182 -9.192 1.00 0.00 C ATOM 127 O VAL C 336 8.315 -14.279 -8.553 1.00 0.00 O ATOM 128 CB VAL C 336 9.469 -14.687 -11.638 1.00 0.00 C ATOM 129 CG1 VAL C 336 8.391 -15.743 -11.371 1.00 0.00 C ATOM 130 CG2 VAL C 336 9.264 -14.090 -13.039 1.00 0.00 C ATOM 0 H VAL C 336 11.142 -12.890 -11.476 1.00 0.00 H new ATOM 0 HA VAL C 336 8.437 -13.026 -10.738 1.00 0.00 H new ATOM 0 HB VAL C 336 10.454 -15.151 -11.580 1.00 0.00 H new ATOM 0 HG11 VAL C 336 8.464 -16.534 -12.117 1.00 0.00 H new ATOM 0 HG12 VAL C 336 8.535 -16.167 -10.377 1.00 0.00 H new ATOM 0 HG13 VAL C 336 7.406 -15.280 -11.428 1.00 0.00 H new ATOM 0 HG21 VAL C 336 9.337 -14.881 -13.786 1.00 0.00 H new ATOM 0 HG22 VAL C 336 8.279 -13.626 -13.096 1.00 0.00 H new ATOM 0 HG23 VAL C 336 10.031 -13.339 -13.230 1.00 0.00 H new ATOM 140 N ASN C 337 10.535 -14.592 -8.726 1.00 0.00 N ATOM 141 CA ASN C 337 10.653 -15.186 -7.402 1.00 0.00 C ATOM 142 C ASN C 337 10.243 -14.180 -6.334 1.00 0.00 C ATOM 143 O ASN C 337 9.601 -14.536 -5.346 1.00 0.00 O ATOM 144 CB ASN C 337 12.092 -15.636 -7.154 1.00 0.00 C ATOM 145 CG ASN C 337 12.235 -16.178 -5.735 1.00 0.00 C ATOM 146 OD1 ASN C 337 12.001 -15.454 -4.768 1.00 0.00 O ATOM 147 ND2 ASN C 337 12.606 -17.415 -5.554 1.00 0.00 N ATOM 0 H ASN C 337 11.412 -14.525 -9.242 1.00 0.00 H new ATOM 0 HA ASN C 337 9.992 -16.051 -7.351 1.00 0.00 H new ATOM 0 HB2 ASN C 337 12.370 -16.405 -7.875 1.00 0.00 H new ATOM 0 HB3 ASN C 337 12.774 -14.799 -7.302 1.00 0.00 H new ATOM 0 HD21 ASN C 337 12.703 -17.785 -4.609 1.00 0.00 H new ATOM 0 HD22 ASN C 337 12.799 -18.012 -6.358 1.00 0.00 H new ATOM 154 N ASN C 338 10.620 -12.916 -6.536 1.00 0.00 N ATOM 155 CA ASN C 338 10.288 -11.861 -5.578 1.00 0.00 C ATOM 156 C ASN C 338 9.285 -10.889 -6.188 1.00 0.00 C ATOM 157 O ASN C 338 9.553 -9.692 -6.293 1.00 0.00 O ATOM 158 CB ASN C 338 11.556 -11.107 -5.172 1.00 0.00 C ATOM 159 CG ASN C 338 11.261 -10.208 -3.977 1.00 0.00 C ATOM 160 OD1 ASN C 338 10.279 -10.419 -3.265 1.00 0.00 O ATOM 161 ND2 ASN C 338 12.061 -9.212 -3.712 1.00 0.00 N ATOM 0 H ASN C 338 11.151 -12.600 -7.348 1.00 0.00 H new ATOM 0 HA ASN C 338 9.843 -12.319 -4.695 1.00 0.00 H new ATOM 0 HB2 ASN C 338 12.346 -11.814 -4.920 1.00 0.00 H new ATOM 0 HB3 ASN C 338 11.918 -10.509 -6.008 1.00 0.00 H new ATOM 0 HD21 ASN C 338 11.874 -8.606 -2.913 1.00 0.00 H new ATOM 0 HD22 ASN C 338 12.874 -9.039 -4.304 1.00 0.00 H new ATOM 168 N ASP C 339 8.128 -11.409 -6.584 1.00 0.00 N ATOM 169 CA ASP C 339 7.093 -10.574 -7.180 1.00 0.00 C ATOM 170 C ASP C 339 6.405 -9.728 -6.113 1.00 0.00 C ATOM 171 O ASP C 339 5.312 -10.059 -5.653 1.00 0.00 O ATOM 172 CB ASP C 339 6.056 -11.453 -7.883 1.00 0.00 C ATOM 173 CG ASP C 339 5.397 -12.390 -6.874 1.00 0.00 C ATOM 174 OD1 ASP C 339 5.837 -12.409 -5.737 1.00 0.00 O ATOM 175 OD2 ASP C 339 4.458 -13.072 -7.254 1.00 0.00 O ATOM 0 H ASP C 339 7.885 -12.396 -6.504 1.00 0.00 H new ATOM 0 HA ASP C 339 7.561 -9.910 -7.907 1.00 0.00 H new ATOM 0 HB2 ASP C 339 5.300 -10.828 -8.359 1.00 0.00 H new ATOM 0 HB3 ASP C 339 6.534 -12.033 -8.672 1.00 0.00 H new ATOM 180 N ASP C 340 7.051 -8.634 -5.729 1.00 0.00 N ATOM 181 CA ASP C 340 6.492 -7.744 -4.720 1.00 0.00 C ATOM 182 C ASP C 340 7.315 -6.466 -4.620 1.00 0.00 C ATOM 183 O ASP C 340 8.544 -6.500 -4.679 1.00 0.00 O ATOM 184 CB ASP C 340 6.467 -8.443 -3.360 1.00 0.00 C ATOM 185 CG ASP C 340 7.883 -8.830 -2.949 1.00 0.00 C ATOM 186 OD1 ASP C 340 8.783 -8.653 -3.754 1.00 0.00 O ATOM 187 OD2 ASP C 340 8.049 -9.297 -1.834 1.00 0.00 O ATOM 0 H ASP C 340 7.956 -8.343 -6.098 1.00 0.00 H new ATOM 0 HA ASP C 340 5.474 -7.487 -5.014 1.00 0.00 H new ATOM 0 HB2 ASP C 340 6.029 -7.784 -2.611 1.00 0.00 H new ATOM 0 HB3 ASP C 340 5.838 -9.332 -3.410 1.00 0.00 H new ATOM 192 N CYS C 341 6.631 -5.336 -4.473 1.00 0.00 N ATOM 193 CA CYS C 341 7.309 -4.044 -4.366 1.00 0.00 C ATOM 194 C CYS C 341 7.287 -3.540 -2.928 1.00 0.00 C ATOM 195 O CYS C 341 6.298 -3.705 -2.218 1.00 0.00 O ATOM 196 CB CYS C 341 6.630 -3.021 -5.281 1.00 0.00 C ATOM 197 SG CYS C 341 7.862 -1.826 -5.864 1.00 0.00 S ATOM 0 H CYS C 341 5.613 -5.286 -4.425 1.00 0.00 H new ATOM 0 HA CYS C 341 8.347 -4.174 -4.673 1.00 0.00 H new ATOM 0 HB2 CYS C 341 6.167 -3.526 -6.129 1.00 0.00 H new ATOM 0 HB3 CYS C 341 5.834 -2.506 -4.743 1.00 0.00 H new ATOM 202 N ALA C 342 8.380 -2.918 -2.505 1.00 0.00 N ATOM 203 CA ALA C 342 8.464 -2.381 -1.152 1.00 0.00 C ATOM 204 C ALA C 342 7.988 -0.931 -1.126 1.00 0.00 C ATOM 205 O ALA C 342 7.554 -0.428 -0.092 1.00 0.00 O ATOM 206 CB ALA C 342 9.912 -2.456 -0.652 1.00 0.00 C ATOM 0 H ALA C 342 9.215 -2.773 -3.073 1.00 0.00 H new ATOM 0 HA ALA C 342 7.823 -2.975 -0.500 1.00 0.00 H new ATOM 0 HB1 ALA C 342 9.969 -2.053 0.359 1.00 0.00 H new ATOM 0 HB2 ALA C 342 10.242 -3.495 -0.648 1.00 0.00 H new ATOM 0 HB3 ALA C 342 10.555 -1.873 -1.311 1.00 0.00 H new ATOM 212 N ILE C 343 8.094 -0.258 -2.270 1.00 0.00 N ATOM 213 CA ILE C 343 7.689 1.139 -2.363 1.00 0.00 C ATOM 214 C ILE C 343 6.244 1.267 -2.825 1.00 0.00 C ATOM 215 O ILE C 343 5.352 1.571 -2.033 1.00 0.00 O ATOM 216 CB ILE C 343 8.604 1.882 -3.342 1.00 0.00 C ATOM 217 CG1 ILE C 343 10.035 1.890 -2.797 1.00 0.00 C ATOM 218 CG2 ILE C 343 8.116 3.325 -3.505 1.00 0.00 C ATOM 219 CD1 ILE C 343 10.995 2.358 -3.893 1.00 0.00 C ATOM 0 H ILE C 343 8.454 -0.655 -3.138 1.00 0.00 H new ATOM 0 HA ILE C 343 7.773 1.579 -1.369 1.00 0.00 H new ATOM 0 HB ILE C 343 8.584 1.379 -4.309 1.00 0.00 H new ATOM 0 HG12 ILE C 343 10.103 2.551 -1.933 1.00 0.00 H new ATOM 0 HG13 ILE C 343 10.312 0.892 -2.458 1.00 0.00 H new ATOM 0 HG21 ILE C 343 8.767 3.853 -4.202 1.00 0.00 H new ATOM 0 HG22 ILE C 343 7.097 3.323 -3.892 1.00 0.00 H new ATOM 0 HG23 ILE C 343 8.136 3.827 -2.538 1.00 0.00 H new ATOM 0 HD11 ILE C 343 12.014 2.364 -3.506 1.00 0.00 H new ATOM 0 HD12 ILE C 343 10.934 1.680 -4.744 1.00 0.00 H new ATOM 0 HD13 ILE C 343 10.722 3.364 -4.211 1.00 0.00 H new ATOM 231 N CYS C 344 6.021 1.038 -4.114 1.00 0.00 N ATOM 232 CA CYS C 344 4.682 1.141 -4.680 1.00 0.00 C ATOM 233 C CYS C 344 3.755 0.094 -4.084 1.00 0.00 C ATOM 234 O CYS C 344 2.538 0.260 -4.097 1.00 0.00 O ATOM 235 CB CYS C 344 4.739 0.975 -6.199 1.00 0.00 C ATOM 236 SG CYS C 344 5.156 -0.741 -6.618 1.00 0.00 S ATOM 0 H CYS C 344 6.746 0.781 -4.784 1.00 0.00 H new ATOM 0 HA CYS C 344 4.288 2.128 -4.438 1.00 0.00 H new ATOM 0 HB2 CYS C 344 3.778 1.243 -6.639 1.00 0.00 H new ATOM 0 HB3 CYS C 344 5.482 1.652 -6.620 1.00 0.00 H new ATOM 241 N TRP C 345 4.338 -0.981 -3.569 1.00 0.00 N ATOM 242 CA TRP C 345 3.552 -2.052 -2.972 1.00 0.00 C ATOM 243 C TRP C 345 2.657 -2.704 -4.016 1.00 0.00 C ATOM 244 O TRP C 345 1.432 -2.650 -3.918 1.00 0.00 O ATOM 245 CB TRP C 345 2.697 -1.503 -1.829 1.00 0.00 C ATOM 246 CG TRP C 345 2.160 -2.639 -1.018 1.00 0.00 C ATOM 247 CD1 TRP C 345 2.876 -3.364 -0.129 1.00 0.00 C ATOM 248 CD2 TRP C 345 0.810 -3.187 -1.001 1.00 0.00 C ATOM 249 NE1 TRP C 345 2.053 -4.323 0.431 1.00 0.00 N ATOM 250 CE2 TRP C 345 0.770 -4.254 -0.074 1.00 0.00 C ATOM 251 CE3 TRP C 345 -0.372 -2.864 -1.694 1.00 0.00 C ATOM 252 CZ2 TRP C 345 -0.400 -4.977 0.158 1.00 0.00 C ATOM 253 CZ3 TRP C 345 -1.551 -3.590 -1.462 1.00 0.00 C ATOM 254 CH2 TRP C 345 -1.565 -4.643 -0.539 1.00 0.00 C ATOM 0 H TRP C 345 5.346 -1.134 -3.553 1.00 0.00 H new ATOM 0 HA TRP C 345 4.237 -2.803 -2.579 1.00 0.00 H new ATOM 0 HB2 TRP C 345 3.293 -0.843 -1.199 1.00 0.00 H new ATOM 0 HB3 TRP C 345 1.876 -0.907 -2.228 1.00 0.00 H new ATOM 0 HD1 TRP C 345 3.920 -3.218 0.105 1.00 0.00 H new ATOM 0 HE1 TRP C 345 2.357 -4.999 1.132 1.00 0.00 H new ATOM 0 HE3 TRP C 345 -0.372 -2.054 -2.408 1.00 0.00 H new ATOM 0 HZ2 TRP C 345 -0.406 -5.789 0.871 1.00 0.00 H new ATOM 0 HZ3 TRP C 345 -2.453 -3.335 -1.999 1.00 0.00 H new ATOM 0 HH2 TRP C 345 -2.476 -5.197 -0.366 1.00 0.00 H new ATOM 265 N ASP C 346 3.275 -3.325 -5.017 1.00 0.00 N ATOM 266 CA ASP C 346 2.519 -3.990 -6.075 1.00 0.00 C ATOM 267 C ASP C 346 3.361 -5.079 -6.728 1.00 0.00 C ATOM 268 O ASP C 346 4.250 -5.653 -6.099 1.00 0.00 O ATOM 269 CB ASP C 346 2.092 -2.970 -7.131 1.00 0.00 C ATOM 270 CG ASP C 346 1.432 -1.769 -6.461 1.00 0.00 C ATOM 271 OD1 ASP C 346 0.229 -1.813 -6.265 1.00 0.00 O ATOM 272 OD2 ASP C 346 2.140 -0.828 -6.149 1.00 0.00 O ATOM 0 H ASP C 346 4.288 -3.382 -5.118 1.00 0.00 H new ATOM 0 HA ASP C 346 1.633 -4.446 -5.633 1.00 0.00 H new ATOM 0 HB2 ASP C 346 2.959 -2.645 -7.706 1.00 0.00 H new ATOM 0 HB3 ASP C 346 1.398 -3.431 -7.834 1.00 0.00 H new ATOM 277 N SER C 347 3.078 -5.359 -7.996 1.00 0.00 N ATOM 278 CA SER C 347 3.818 -6.382 -8.728 1.00 0.00 C ATOM 279 C SER C 347 3.784 -6.098 -10.225 1.00 0.00 C ATOM 280 O SER C 347 2.888 -5.411 -10.719 1.00 0.00 O ATOM 281 CB SER C 347 3.213 -7.760 -8.455 1.00 0.00 C ATOM 282 OG SER C 347 1.906 -7.817 -9.009 1.00 0.00 O ATOM 0 H SER C 347 2.347 -4.896 -8.536 1.00 0.00 H new ATOM 0 HA SER C 347 4.854 -6.367 -8.390 1.00 0.00 H new ATOM 0 HB2 SER C 347 3.840 -8.538 -8.891 1.00 0.00 H new ATOM 0 HB3 SER C 347 3.174 -7.947 -7.382 1.00 0.00 H new ATOM 0 HG SER C 347 1.516 -8.700 -8.837 1.00 0.00 H new ATOM 288 N MET C 348 4.766 -6.631 -10.946 1.00 0.00 N ATOM 289 CA MET C 348 4.836 -6.429 -12.388 1.00 0.00 C ATOM 290 C MET C 348 5.912 -7.320 -13.000 1.00 0.00 C ATOM 291 O MET C 348 5.996 -8.508 -12.692 1.00 0.00 O ATOM 292 CB MET C 348 5.145 -4.959 -12.697 1.00 0.00 C ATOM 293 CG MET C 348 4.697 -4.627 -14.123 1.00 0.00 C ATOM 294 SD MET C 348 2.890 -4.492 -14.161 1.00 0.00 S ATOM 295 CE MET C 348 2.798 -2.702 -14.404 1.00 0.00 C ATOM 0 H MET C 348 5.518 -7.201 -10.559 1.00 0.00 H new ATOM 0 HA MET C 348 3.872 -6.694 -12.822 1.00 0.00 H new ATOM 0 HB2 MET C 348 4.633 -4.312 -11.985 1.00 0.00 H new ATOM 0 HB3 MET C 348 6.213 -4.771 -12.588 1.00 0.00 H new ATOM 0 HG2 MET C 348 5.151 -3.692 -14.452 1.00 0.00 H new ATOM 0 HG3 MET C 348 5.031 -5.403 -14.812 1.00 0.00 H new ATOM 0 HE1 MET C 348 1.753 -2.395 -14.457 1.00 0.00 H new ATOM 0 HE2 MET C 348 3.283 -2.196 -13.569 1.00 0.00 H new ATOM 0 HE3 MET C 348 3.302 -2.434 -15.333 1.00 0.00 H new ATOM 305 N GLN C 349 6.739 -6.739 -13.869 1.00 0.00 N ATOM 306 CA GLN C 349 7.810 -7.485 -14.520 1.00 0.00 C ATOM 307 C GLN C 349 9.119 -6.710 -14.451 1.00 0.00 C ATOM 308 O GLN C 349 10.199 -7.294 -14.544 1.00 0.00 O ATOM 309 CB GLN C 349 7.443 -7.743 -15.982 1.00 0.00 C ATOM 310 CG GLN C 349 6.167 -8.586 -16.051 1.00 0.00 C ATOM 311 CD GLN C 349 6.421 -9.969 -15.462 1.00 0.00 C ATOM 312 OE1 GLN C 349 7.422 -10.607 -15.789 1.00 0.00 O ATOM 313 NE2 GLN C 349 5.571 -10.475 -14.612 1.00 0.00 N ATOM 0 H GLN C 349 6.686 -5.756 -14.136 1.00 0.00 H new ATOM 0 HA GLN C 349 7.938 -8.435 -14.002 1.00 0.00 H new ATOM 0 HB2 GLN C 349 7.294 -6.797 -16.502 1.00 0.00 H new ATOM 0 HB3 GLN C 349 8.260 -8.259 -16.487 1.00 0.00 H new ATOM 0 HG2 GLN C 349 5.365 -8.091 -15.504 1.00 0.00 H new ATOM 0 HG3 GLN C 349 5.838 -8.678 -17.086 1.00 0.00 H new ATOM 0 HE21 GLN C 349 4.742 -9.945 -14.342 1.00 0.00 H new ATOM 0 HE22 GLN C 349 5.735 -11.401 -14.217 1.00 0.00 H new ATOM 322 N ALA C 350 9.019 -5.394 -14.281 1.00 0.00 N ATOM 323 CA ALA C 350 10.210 -4.556 -14.197 1.00 0.00 C ATOM 324 C ALA C 350 10.892 -4.738 -12.849 1.00 0.00 C ATOM 325 O ALA C 350 10.257 -4.631 -11.799 1.00 0.00 O ATOM 326 CB ALA C 350 9.825 -3.088 -14.385 1.00 0.00 C ATOM 0 H ALA C 350 8.136 -4.890 -14.200 1.00 0.00 H new ATOM 0 HA ALA C 350 10.902 -4.853 -14.985 1.00 0.00 H new ATOM 0 HB1 ALA C 350 10.718 -2.467 -14.321 1.00 0.00 H new ATOM 0 HB2 ALA C 350 9.360 -2.956 -15.362 1.00 0.00 H new ATOM 0 HB3 ALA C 350 9.122 -2.794 -13.606 1.00 0.00 H new ATOM 332 N ALA C 351 12.193 -5.010 -12.880 1.00 0.00 N ATOM 333 CA ALA C 351 12.957 -5.205 -11.648 1.00 0.00 C ATOM 334 C ALA C 351 14.305 -4.509 -11.742 1.00 0.00 C ATOM 335 O ALA C 351 15.058 -4.725 -12.689 1.00 0.00 O ATOM 336 CB ALA C 351 13.167 -6.704 -11.405 1.00 0.00 C ATOM 0 H ALA C 351 12.739 -5.100 -13.737 1.00 0.00 H new ATOM 0 HA ALA C 351 12.398 -4.774 -10.817 1.00 0.00 H new ATOM 0 HB1 ALA C 351 13.736 -6.847 -10.487 1.00 0.00 H new ATOM 0 HB2 ALA C 351 12.199 -7.197 -11.313 1.00 0.00 H new ATOM 0 HB3 ALA C 351 13.715 -7.135 -12.243 1.00 0.00 H new ATOM 342 N ARG C 352 14.615 -3.682 -10.746 1.00 0.00 N ATOM 343 CA ARG C 352 15.882 -2.966 -10.718 1.00 0.00 C ATOM 344 C ARG C 352 16.550 -3.117 -9.366 1.00 0.00 C ATOM 345 O ARG C 352 15.890 -3.115 -8.338 1.00 0.00 O ATOM 346 CB ARG C 352 15.642 -1.477 -11.025 1.00 0.00 C ATOM 347 CG ARG C 352 16.473 -1.047 -12.232 1.00 0.00 C ATOM 348 CD ARG C 352 17.939 -0.934 -11.816 1.00 0.00 C ATOM 349 NE ARG C 352 18.752 -0.499 -12.944 1.00 0.00 N ATOM 350 CZ ARG C 352 20.076 -0.624 -12.930 1.00 0.00 C ATOM 351 NH1 ARG C 352 20.671 -1.145 -11.892 1.00 0.00 N ATOM 352 NH2 ARG C 352 20.779 -0.229 -13.956 1.00 0.00 N ATOM 0 H ARG C 352 14.005 -3.493 -9.950 1.00 0.00 H new ATOM 0 HA ARG C 352 16.541 -3.389 -11.476 1.00 0.00 H new ATOM 0 HB2 ARG C 352 14.584 -1.305 -11.223 1.00 0.00 H new ATOM 0 HB3 ARG C 352 15.907 -0.872 -10.158 1.00 0.00 H new ATOM 0 HG2 ARG C 352 16.366 -1.772 -13.039 1.00 0.00 H new ATOM 0 HG3 ARG C 352 16.116 -0.090 -12.613 1.00 0.00 H new ATOM 0 HD2 ARG C 352 18.037 -0.226 -10.993 1.00 0.00 H new ATOM 0 HD3 ARG C 352 18.296 -1.897 -11.451 1.00 0.00 H new ATOM 0 HE ARG C 352 18.297 -0.091 -13.760 1.00 0.00 H new ATOM 0 HH11 ARG C 352 20.121 -1.456 -11.092 1.00 0.00 H new ATOM 0 HH12 ARG C 352 21.686 -1.241 -11.881 1.00 0.00 H new ATOM 0 HH21 ARG C 352 20.313 0.175 -14.768 1.00 0.00 H new ATOM 0 HH22 ARG C 352 21.794 -0.325 -13.946 1.00 0.00 H new ATOM 366 N LYS C 353 17.874 -3.240 -9.379 1.00 0.00 N ATOM 367 CA LYS C 353 18.632 -3.388 -8.146 1.00 0.00 C ATOM 368 C LYS C 353 19.433 -2.132 -7.834 1.00 0.00 C ATOM 369 O LYS C 353 20.321 -1.747 -8.593 1.00 0.00 O ATOM 370 CB LYS C 353 19.581 -4.583 -8.261 1.00 0.00 C ATOM 371 CG LYS C 353 20.388 -4.726 -6.967 1.00 0.00 C ATOM 372 CD LYS C 353 21.245 -5.992 -7.035 1.00 0.00 C ATOM 373 CE LYS C 353 22.039 -6.144 -5.738 1.00 0.00 C ATOM 374 NZ LYS C 353 22.854 -7.390 -5.795 1.00 0.00 N ATOM 0 H LYS C 353 18.440 -3.240 -10.227 1.00 0.00 H new ATOM 0 HA LYS C 353 17.924 -3.553 -7.334 1.00 0.00 H new ATOM 0 HB2 LYS C 353 19.013 -5.494 -8.450 1.00 0.00 H new ATOM 0 HB3 LYS C 353 20.254 -4.446 -9.108 1.00 0.00 H new ATOM 0 HG2 LYS C 353 21.023 -3.852 -6.824 1.00 0.00 H new ATOM 0 HG3 LYS C 353 19.716 -4.775 -6.110 1.00 0.00 H new ATOM 0 HD2 LYS C 353 20.611 -6.865 -7.189 1.00 0.00 H new ATOM 0 HD3 LYS C 353 21.925 -5.938 -7.885 1.00 0.00 H new ATOM 0 HE2 LYS C 353 22.687 -5.280 -5.593 1.00 0.00 H new ATOM 0 HE3 LYS C 353 21.360 -6.180 -4.886 1.00 0.00 H new ATOM 0 HZ1 LYS C 353 23.394 -7.492 -4.912 1.00 0.00 H new ATOM 0 HZ2 LYS C 353 22.226 -8.210 -5.914 1.00 0.00 H new ATOM 0 HZ3 LYS C 353 23.512 -7.338 -6.599 1.00 0.00 H new ATOM 388 N LEU C 354 19.129 -1.509 -6.703 1.00 0.00 N ATOM 389 CA LEU C 354 19.846 -0.311 -6.300 1.00 0.00 C ATOM 390 C LEU C 354 21.313 -0.633 -6.032 1.00 0.00 C ATOM 391 O LEU C 354 21.662 -1.772 -5.726 1.00 0.00 O ATOM 392 CB LEU C 354 19.214 0.268 -5.021 1.00 0.00 C ATOM 393 CG LEU C 354 17.975 1.091 -5.383 1.00 0.00 C ATOM 394 CD1 LEU C 354 17.068 1.211 -4.154 1.00 0.00 C ATOM 395 CD2 LEU C 354 18.393 2.492 -5.846 1.00 0.00 C ATOM 0 H LEU C 354 18.400 -1.810 -6.057 1.00 0.00 H new ATOM 0 HA LEU C 354 19.782 0.419 -7.107 1.00 0.00 H new ATOM 0 HB2 LEU C 354 18.940 -0.539 -4.342 1.00 0.00 H new ATOM 0 HB3 LEU C 354 19.937 0.893 -4.498 1.00 0.00 H new ATOM 0 HG LEU C 354 17.438 0.593 -6.190 1.00 0.00 H new ATOM 0 HD11 LEU C 354 16.185 1.797 -4.409 1.00 0.00 H new ATOM 0 HD12 LEU C 354 16.762 0.217 -3.829 1.00 0.00 H new ATOM 0 HD13 LEU C 354 17.611 1.705 -3.348 1.00 0.00 H new ATOM 0 HD21 LEU C 354 17.505 3.071 -6.102 1.00 0.00 H new ATOM 0 HD22 LEU C 354 18.935 2.994 -5.044 1.00 0.00 H new ATOM 0 HD23 LEU C 354 19.036 2.409 -6.722 1.00 0.00 H new ATOM 407 N PRO C 355 22.166 0.355 -6.125 1.00 0.00 N ATOM 408 CA PRO C 355 23.625 0.184 -5.866 1.00 0.00 C ATOM 409 C PRO C 355 23.903 -0.179 -4.407 1.00 0.00 C ATOM 410 O PRO C 355 24.972 -0.697 -4.084 1.00 0.00 O ATOM 411 CB PRO C 355 24.220 1.564 -6.215 1.00 0.00 C ATOM 412 CG PRO C 355 23.078 2.525 -6.110 1.00 0.00 C ATOM 413 CD PRO C 355 21.839 1.738 -6.504 1.00 0.00 C ATOM 0 HA PRO C 355 24.057 -0.629 -6.450 1.00 0.00 H new ATOM 0 HB2 PRO C 355 25.023 1.831 -5.528 1.00 0.00 H new ATOM 0 HB3 PRO C 355 24.645 1.567 -7.219 1.00 0.00 H new ATOM 0 HG2 PRO C 355 22.987 2.916 -5.097 1.00 0.00 H new ATOM 0 HG3 PRO C 355 23.224 3.380 -6.770 1.00 0.00 H new ATOM 0 HD2 PRO C 355 20.953 2.098 -5.980 1.00 0.00 H new ATOM 0 HD3 PRO C 355 21.634 1.822 -7.571 1.00 0.00 H new ATOM 421 N CYS C 356 22.945 0.110 -3.534 1.00 0.00 N ATOM 422 CA CYS C 356 23.104 -0.182 -2.116 1.00 0.00 C ATOM 423 C CYS C 356 22.849 -1.657 -1.843 1.00 0.00 C ATOM 424 O CYS C 356 23.611 -2.308 -1.127 1.00 0.00 O ATOM 425 CB CYS C 356 22.137 0.676 -1.293 1.00 0.00 C ATOM 426 SG CYS C 356 20.463 -0.016 -1.373 1.00 0.00 S ATOM 0 H CYS C 356 22.056 0.544 -3.782 1.00 0.00 H new ATOM 0 HA CYS C 356 24.128 0.054 -1.826 1.00 0.00 H new ATOM 0 HB2 CYS C 356 22.471 0.720 -0.256 1.00 0.00 H new ATOM 0 HB3 CYS C 356 22.134 1.698 -1.671 1.00 0.00 H new ATOM 431 N GLY C 357 21.764 -2.181 -2.408 1.00 0.00 N ATOM 432 CA GLY C 357 21.406 -3.584 -2.213 1.00 0.00 C ATOM 433 C GLY C 357 19.906 -3.736 -1.998 1.00 0.00 C ATOM 434 O GLY C 357 19.468 -4.285 -0.984 1.00 0.00 O ATOM 0 H GLY C 357 21.120 -1.658 -3.002 1.00 0.00 H new ATOM 0 HA2 GLY C 357 21.714 -4.166 -3.081 1.00 0.00 H new ATOM 0 HA3 GLY C 357 21.943 -3.985 -1.353 1.00 0.00 H new ATOM 438 N HIS C 358 19.120 -3.269 -2.963 1.00 0.00 N ATOM 439 CA HIS C 358 17.663 -3.364 -2.870 1.00 0.00 C ATOM 440 C HIS C 358 17.057 -3.562 -4.245 1.00 0.00 C ATOM 441 O HIS C 358 17.549 -3.021 -5.226 1.00 0.00 O ATOM 442 CB HIS C 358 17.100 -2.091 -2.227 1.00 0.00 C ATOM 443 CG HIS C 358 17.183 -2.199 -0.730 1.00 0.00 C ATOM 444 ND1 HIS C 358 18.176 -1.572 0.010 1.00 0.00 N ATOM 445 CD2 HIS C 358 16.403 -2.873 0.178 1.00 0.00 C ATOM 446 CE1 HIS C 358 17.965 -1.883 1.302 1.00 0.00 C ATOM 447 NE2 HIS C 358 16.898 -2.670 1.459 1.00 0.00 N ATOM 0 H HIS C 358 19.462 -2.823 -3.814 1.00 0.00 H new ATOM 0 HA HIS C 358 17.406 -4.223 -2.250 1.00 0.00 H new ATOM 0 HB2 HIS C 358 17.660 -1.221 -2.570 1.00 0.00 H new ATOM 0 HB3 HIS C 358 16.064 -1.945 -2.534 1.00 0.00 H new ATOM 0 HD2 HIS C 358 15.537 -3.470 -0.067 1.00 0.00 H new ATOM 0 HE1 HIS C 358 18.585 -1.537 2.116 1.00 0.00 H new ATOM 0 HE2 HIS C 358 16.526 -3.042 2.333 1.00 0.00 H new ATOM 455 N LEU C 359 15.979 -4.341 -4.309 1.00 0.00 N ATOM 456 CA LEU C 359 15.326 -4.608 -5.586 1.00 0.00 C ATOM 457 C LEU C 359 14.089 -3.757 -5.759 1.00 0.00 C ATOM 458 O LEU C 359 13.082 -3.994 -5.106 1.00 0.00 O ATOM 459 CB LEU C 359 14.913 -6.088 -5.639 1.00 0.00 C ATOM 460 CG LEU C 359 16.141 -6.972 -5.398 1.00 0.00 C ATOM 461 CD1 LEU C 359 15.708 -8.438 -5.299 1.00 0.00 C ATOM 462 CD2 LEU C 359 17.131 -6.812 -6.560 1.00 0.00 C ATOM 0 H LEU C 359 15.545 -4.792 -3.504 1.00 0.00 H new ATOM 0 HA LEU C 359 16.029 -4.370 -6.384 1.00 0.00 H new ATOM 0 HB2 LEU C 359 14.152 -6.291 -4.885 1.00 0.00 H new ATOM 0 HB3 LEU C 359 14.471 -6.318 -6.608 1.00 0.00 H new ATOM 0 HG LEU C 359 16.622 -6.670 -4.468 1.00 0.00 H new ATOM 0 HD11 LEU C 359 16.583 -9.065 -5.128 1.00 0.00 H new ATOM 0 HD12 LEU C 359 15.009 -8.556 -4.471 1.00 0.00 H new ATOM 0 HD13 LEU C 359 15.223 -8.738 -6.228 1.00 0.00 H new ATOM 0 HD21 LEU C 359 18.003 -7.442 -6.385 1.00 0.00 H new ATOM 0 HD22 LEU C 359 16.650 -7.109 -7.492 1.00 0.00 H new ATOM 0 HD23 LEU C 359 17.445 -5.770 -6.630 1.00 0.00 H new ATOM 474 N PHE C 360 14.167 -2.789 -6.680 1.00 0.00 N ATOM 475 CA PHE C 360 13.040 -1.888 -6.968 1.00 0.00 C ATOM 476 C PHE C 360 12.681 -1.934 -8.425 1.00 0.00 C ATOM 477 O PHE C 360 13.532 -2.124 -9.276 1.00 0.00 O ATOM 478 CB PHE C 360 13.436 -0.452 -6.567 1.00 0.00 C ATOM 479 CG PHE C 360 13.394 -0.280 -5.051 1.00 0.00 C ATOM 480 CD1 PHE C 360 12.806 -1.246 -4.211 1.00 0.00 C ATOM 481 CD2 PHE C 360 14.022 0.819 -4.471 1.00 0.00 C ATOM 482 CE1 PHE C 360 12.817 -1.104 -2.849 1.00 0.00 C ATOM 483 CE2 PHE C 360 14.040 0.959 -3.085 1.00 0.00 C ATOM 484 CZ PHE C 360 13.430 0.003 -2.273 1.00 0.00 C ATOM 0 H PHE C 360 15.000 -2.608 -7.241 1.00 0.00 H new ATOM 0 HA PHE C 360 12.169 -2.208 -6.396 1.00 0.00 H new ATOM 0 HB2 PHE C 360 14.438 -0.230 -6.935 1.00 0.00 H new ATOM 0 HB3 PHE C 360 12.759 0.261 -7.037 1.00 0.00 H new ATOM 0 HD1 PHE C 360 12.338 -2.115 -4.649 1.00 0.00 H new ATOM 0 HD2 PHE C 360 14.495 1.563 -5.095 1.00 0.00 H new ATOM 0 HE1 PHE C 360 12.350 -1.851 -2.223 1.00 0.00 H new ATOM 0 HE2 PHE C 360 14.529 1.812 -2.637 1.00 0.00 H new ATOM 0 HZ PHE C 360 13.434 0.122 -1.200 1.00 0.00 H new ATOM 494 N HIS C 361 11.389 -1.771 -8.696 1.00 0.00 N ATOM 495 CA HIS C 361 10.902 -1.803 -10.065 1.00 0.00 C ATOM 496 C HIS C 361 11.419 -0.588 -10.826 1.00 0.00 C ATOM 497 O HIS C 361 11.749 0.431 -10.230 1.00 0.00 O ATOM 498 CB HIS C 361 9.374 -1.808 -10.084 1.00 0.00 C ATOM 499 CG HIS C 361 8.864 -3.038 -9.387 1.00 0.00 C ATOM 500 ND1 HIS C 361 7.539 -3.173 -8.994 1.00 0.00 N ATOM 501 CD2 HIS C 361 9.491 -4.201 -9.009 1.00 0.00 C ATOM 502 CE1 HIS C 361 7.416 -4.383 -8.415 1.00 0.00 C ATOM 503 NE2 HIS C 361 8.576 -5.046 -8.397 1.00 0.00 N ATOM 0 H HIS C 361 10.669 -1.617 -7.990 1.00 0.00 H new ATOM 0 HA HIS C 361 11.265 -2.712 -10.544 1.00 0.00 H new ATOM 0 HB2 HIS C 361 8.991 -0.914 -9.592 1.00 0.00 H new ATOM 0 HB3 HIS C 361 9.013 -1.785 -11.112 1.00 0.00 H new ATOM 0 HD2 HIS C 361 10.536 -4.423 -9.165 1.00 0.00 H new ATOM 0 HE1 HIS C 361 6.491 -4.771 -8.014 1.00 0.00 H new ATOM 0 HE2 HIS C 361 8.752 -5.975 -8.015 1.00 0.00 H new ATOM 511 N ASN C 362 11.497 -0.708 -12.144 1.00 0.00 N ATOM 512 CA ASN C 362 11.998 0.383 -12.971 1.00 0.00 C ATOM 513 C ASN C 362 11.153 1.637 -12.780 1.00 0.00 C ATOM 514 O ASN C 362 11.685 2.742 -12.665 1.00 0.00 O ATOM 515 CB ASN C 362 11.965 -0.027 -14.446 1.00 0.00 C ATOM 516 CG ASN C 362 12.533 1.092 -15.314 1.00 0.00 C ATOM 517 OD1 ASN C 362 13.457 1.792 -14.898 1.00 0.00 O ATOM 518 ND2 ASN C 362 12.038 1.301 -16.503 1.00 0.00 N ATOM 0 H ASN C 362 11.222 -1.543 -12.661 1.00 0.00 H new ATOM 0 HA ASN C 362 13.023 0.599 -12.669 1.00 0.00 H new ATOM 0 HB2 ASN C 362 12.543 -0.939 -14.591 1.00 0.00 H new ATOM 0 HB3 ASN C 362 10.941 -0.247 -14.747 1.00 0.00 H new ATOM 0 HD21 ASN C 362 12.416 2.045 -17.089 1.00 0.00 H new ATOM 0 HD22 ASN C 362 11.273 0.720 -16.846 1.00 0.00 H new ATOM 525 N SER C 363 9.840 1.461 -12.741 1.00 0.00 N ATOM 526 CA SER C 363 8.935 2.587 -12.557 1.00 0.00 C ATOM 527 C SER C 363 9.002 3.118 -11.127 1.00 0.00 C ATOM 528 O SER C 363 8.962 4.325 -10.898 1.00 0.00 O ATOM 529 CB SER C 363 7.502 2.160 -12.877 1.00 0.00 C ATOM 530 OG SER C 363 7.366 1.986 -14.281 1.00 0.00 O ATOM 0 H SER C 363 9.380 0.556 -12.834 1.00 0.00 H new ATOM 0 HA SER C 363 9.242 3.383 -13.236 1.00 0.00 H new ATOM 0 HB2 SER C 363 7.263 1.231 -12.359 1.00 0.00 H new ATOM 0 HB3 SER C 363 6.798 2.913 -12.522 1.00 0.00 H new ATOM 0 HG SER C 363 6.449 1.711 -14.489 1.00 0.00 H new ATOM 536 N CYS C 364 9.087 2.200 -10.171 1.00 0.00 N ATOM 537 CA CYS C 364 9.141 2.584 -8.767 1.00 0.00 C ATOM 538 C CYS C 364 10.468 3.248 -8.431 1.00 0.00 C ATOM 539 O CYS C 364 10.505 4.305 -7.793 1.00 0.00 O ATOM 540 CB CYS C 364 8.955 1.350 -7.879 1.00 0.00 C ATOM 541 SG CYS C 364 7.339 0.607 -8.217 1.00 0.00 S ATOM 0 H CYS C 364 9.120 1.195 -10.340 1.00 0.00 H new ATOM 0 HA CYS C 364 8.337 3.297 -8.583 1.00 0.00 H new ATOM 0 HB2 CYS C 364 9.748 0.627 -8.071 1.00 0.00 H new ATOM 0 HB3 CYS C 364 9.027 1.630 -6.828 1.00 0.00 H new ATOM 546 N LEU C 365 11.558 2.625 -8.863 1.00 0.00 N ATOM 547 CA LEU C 365 12.879 3.165 -8.587 1.00 0.00 C ATOM 548 C LEU C 365 13.066 4.516 -9.275 1.00 0.00 C ATOM 549 O LEU C 365 13.459 5.493 -8.647 1.00 0.00 O ATOM 550 CB LEU C 365 13.952 2.179 -9.080 1.00 0.00 C ATOM 551 CG LEU C 365 15.218 2.316 -8.226 1.00 0.00 C ATOM 552 CD1 LEU C 365 16.308 1.382 -8.754 1.00 0.00 C ATOM 553 CD2 LEU C 365 15.711 3.760 -8.260 1.00 0.00 C ATOM 0 H LEU C 365 11.553 1.757 -9.399 1.00 0.00 H new ATOM 0 HA LEU C 365 12.979 3.308 -7.511 1.00 0.00 H new ATOM 0 HB2 LEU C 365 13.574 1.158 -9.024 1.00 0.00 H new ATOM 0 HB3 LEU C 365 14.186 2.375 -10.126 1.00 0.00 H new ATOM 0 HG LEU C 365 14.984 2.042 -7.197 1.00 0.00 H new ATOM 0 HD11 LEU C 365 17.204 1.486 -8.142 1.00 0.00 H new ATOM 0 HD12 LEU C 365 15.956 0.351 -8.711 1.00 0.00 H new ATOM 0 HD13 LEU C 365 16.542 1.643 -9.786 1.00 0.00 H new ATOM 0 HD21 LEU C 365 16.611 3.852 -7.652 1.00 0.00 H new ATOM 0 HD22 LEU C 365 15.938 4.043 -9.288 1.00 0.00 H new ATOM 0 HD23 LEU C 365 14.937 4.418 -7.865 1.00 0.00 H new ATOM 565 N ARG C 366 12.783 4.559 -10.573 1.00 0.00 N ATOM 566 CA ARG C 366 12.944 5.790 -11.339 1.00 0.00 C ATOM 567 C ARG C 366 12.130 6.910 -10.704 1.00 0.00 C ATOM 568 O ARG C 366 12.632 8.014 -10.498 1.00 0.00 O ATOM 569 CB ARG C 366 12.489 5.567 -12.780 1.00 0.00 C ATOM 570 CG ARG C 366 12.783 6.820 -13.604 1.00 0.00 C ATOM 571 CD ARG C 366 12.442 6.554 -15.073 1.00 0.00 C ATOM 572 NE ARG C 366 12.678 7.753 -15.870 1.00 0.00 N ATOM 573 CZ ARG C 366 13.875 8.014 -16.388 1.00 0.00 C ATOM 574 NH1 ARG C 366 14.866 7.187 -16.187 1.00 0.00 N ATOM 575 NH2 ARG C 366 14.059 9.093 -17.097 1.00 0.00 N ATOM 0 H ARG C 366 12.444 3.763 -11.113 1.00 0.00 H new ATOM 0 HA ARG C 366 13.996 6.074 -11.337 1.00 0.00 H new ATOM 0 HB2 ARG C 366 13.006 4.708 -13.207 1.00 0.00 H new ATOM 0 HB3 ARG C 366 11.423 5.343 -12.806 1.00 0.00 H new ATOM 0 HG2 ARG C 366 12.198 7.660 -13.230 1.00 0.00 H new ATOM 0 HG3 ARG C 366 13.833 7.094 -13.507 1.00 0.00 H new ATOM 0 HD2 ARG C 366 13.049 5.732 -15.452 1.00 0.00 H new ATOM 0 HD3 ARG C 366 11.400 6.248 -15.162 1.00 0.00 H new ATOM 0 HE ARG C 366 11.910 8.404 -16.033 1.00 0.00 H new ATOM 0 HH11 ARG C 366 14.721 6.343 -15.634 1.00 0.00 H new ATOM 0 HH12 ARG C 366 15.785 7.386 -16.584 1.00 0.00 H new ATOM 0 HH21 ARG C 366 13.285 9.738 -17.255 1.00 0.00 H new ATOM 0 HH22 ARG C 366 14.977 9.292 -17.494 1.00 0.00 H new ATOM 589 N SER C 367 10.876 6.613 -10.385 1.00 0.00 N ATOM 590 CA SER C 367 10.002 7.604 -9.762 1.00 0.00 C ATOM 591 C SER C 367 10.656 8.146 -8.496 1.00 0.00 C ATOM 592 O SER C 367 10.596 9.346 -8.220 1.00 0.00 O ATOM 593 CB SER C 367 8.659 6.964 -9.413 1.00 0.00 C ATOM 594 OG SER C 367 7.968 7.799 -8.492 1.00 0.00 O ATOM 0 H SER C 367 10.443 5.703 -10.545 1.00 0.00 H new ATOM 0 HA SER C 367 9.838 8.424 -10.461 1.00 0.00 H new ATOM 0 HB2 SER C 367 8.063 6.826 -10.315 1.00 0.00 H new ATOM 0 HB3 SER C 367 8.815 5.976 -8.980 1.00 0.00 H new ATOM 0 HG SER C 367 7.105 7.393 -8.266 1.00 0.00 H new ATOM 600 N TRP C 368 11.283 7.258 -7.728 1.00 0.00 N ATOM 601 CA TRP C 368 11.951 7.665 -6.495 1.00 0.00 C ATOM 602 C TRP C 368 13.127 8.587 -6.807 1.00 0.00 C ATOM 603 O TRP C 368 13.342 9.591 -6.129 1.00 0.00 O ATOM 604 CB TRP C 368 12.447 6.433 -5.739 1.00 0.00 C ATOM 605 CG TRP C 368 12.874 6.831 -4.364 1.00 0.00 C ATOM 606 CD1 TRP C 368 14.141 6.769 -3.892 1.00 0.00 C ATOM 607 CD2 TRP C 368 12.057 7.352 -3.275 1.00 0.00 C ATOM 608 NE1 TRP C 368 14.151 7.215 -2.583 1.00 0.00 N ATOM 609 CE2 TRP C 368 12.891 7.586 -2.157 1.00 0.00 C ATOM 610 CE3 TRP C 368 10.684 7.639 -3.150 1.00 0.00 C ATOM 611 CZ2 TRP C 368 12.384 8.088 -0.958 1.00 0.00 C ATOM 612 CZ3 TRP C 368 10.170 8.144 -1.943 1.00 0.00 C ATOM 613 CH2 TRP C 368 11.019 8.368 -0.851 1.00 0.00 C ATOM 0 H TRP C 368 11.342 6.261 -7.935 1.00 0.00 H new ATOM 0 HA TRP C 368 11.236 8.204 -5.874 1.00 0.00 H new ATOM 0 HB2 TRP C 368 11.657 5.685 -5.684 1.00 0.00 H new ATOM 0 HB3 TRP C 368 13.281 5.977 -6.273 1.00 0.00 H new ATOM 0 HD1 TRP C 368 15.003 6.427 -4.446 1.00 0.00 H new ATOM 0 HE1 TRP C 368 14.988 7.264 -2.002 1.00 0.00 H new ATOM 0 HE3 TRP C 368 10.022 7.470 -3.986 1.00 0.00 H new ATOM 0 HZ2 TRP C 368 13.042 8.259 -0.119 1.00 0.00 H new ATOM 0 HZ3 TRP C 368 9.115 8.360 -1.857 1.00 0.00 H new ATOM 0 HH2 TRP C 368 10.618 8.757 0.073 1.00 0.00 H new ATOM 624 N LEU C 369 13.885 8.237 -7.839 1.00 0.00 N ATOM 625 CA LEU C 369 15.039 9.040 -8.235 1.00 0.00 C ATOM 626 C LEU C 369 14.597 10.423 -8.696 1.00 0.00 C ATOM 627 O LEU C 369 15.262 11.422 -8.419 1.00 0.00 O ATOM 628 CB LEU C 369 15.797 8.343 -9.368 1.00 0.00 C ATOM 629 CG LEU C 369 16.349 7.004 -8.871 1.00 0.00 C ATOM 630 CD1 LEU C 369 16.965 6.238 -10.046 1.00 0.00 C ATOM 631 CD2 LEU C 369 17.417 7.239 -7.794 1.00 0.00 C ATOM 0 H LEU C 369 13.725 7.410 -8.414 1.00 0.00 H new ATOM 0 HA LEU C 369 15.694 9.149 -7.371 1.00 0.00 H new ATOM 0 HB2 LEU C 369 15.133 8.181 -10.217 1.00 0.00 H new ATOM 0 HB3 LEU C 369 16.612 8.977 -9.717 1.00 0.00 H new ATOM 0 HG LEU C 369 15.535 6.421 -8.440 1.00 0.00 H new ATOM 0 HD11 LEU C 369 17.358 5.285 -9.693 1.00 0.00 H new ATOM 0 HD12 LEU C 369 16.202 6.058 -10.803 1.00 0.00 H new ATOM 0 HD13 LEU C 369 17.774 6.826 -10.479 1.00 0.00 H new ATOM 0 HD21 LEU C 369 17.802 6.280 -7.448 1.00 0.00 H new ATOM 0 HD22 LEU C 369 18.233 7.828 -8.213 1.00 0.00 H new ATOM 0 HD23 LEU C 369 16.975 7.776 -6.955 1.00 0.00 H new ATOM 643 N GLU C 370 13.475 10.471 -9.401 1.00 0.00 N ATOM 644 CA GLU C 370 12.953 11.737 -9.902 1.00 0.00 C ATOM 645 C GLU C 370 12.515 12.632 -8.750 1.00 0.00 C ATOM 646 O GLU C 370 12.763 13.840 -8.757 1.00 0.00 O ATOM 647 CB GLU C 370 11.769 11.483 -10.834 1.00 0.00 C ATOM 648 CG GLU C 370 11.292 12.809 -11.431 1.00 0.00 C ATOM 649 CD GLU C 370 10.174 12.556 -12.436 1.00 0.00 C ATOM 650 OE1 GLU C 370 9.705 11.431 -12.501 1.00 0.00 O ATOM 651 OE2 GLU C 370 9.797 13.492 -13.121 1.00 0.00 O ATOM 0 H GLU C 370 12.911 9.655 -9.638 1.00 0.00 H new ATOM 0 HA GLU C 370 13.747 12.240 -10.454 1.00 0.00 H new ATOM 0 HB2 GLU C 370 12.060 10.798 -11.630 1.00 0.00 H new ATOM 0 HB3 GLU C 370 10.957 11.007 -10.285 1.00 0.00 H new ATOM 0 HG2 GLU C 370 10.937 13.468 -10.638 1.00 0.00 H new ATOM 0 HG3 GLU C 370 12.123 13.317 -11.920 1.00 0.00 H new ATOM 658 N GLN C 371 11.854 12.039 -7.762 1.00 0.00 N ATOM 659 CA GLN C 371 11.380 12.796 -6.609 1.00 0.00 C ATOM 660 C GLN C 371 12.473 12.915 -5.558 1.00 0.00 C ATOM 661 O GLN C 371 12.859 14.019 -5.171 1.00 0.00 O ATOM 662 CB GLN C 371 10.158 12.105 -5.999 1.00 0.00 C ATOM 663 CG GLN C 371 9.572 12.986 -4.892 1.00 0.00 C ATOM 664 CD GLN C 371 8.358 12.303 -4.270 1.00 0.00 C ATOM 665 OE1 GLN C 371 8.394 11.106 -3.990 1.00 0.00 O ATOM 666 NE2 GLN C 371 7.278 13.000 -4.040 1.00 0.00 N ATOM 0 H GLN C 371 11.635 11.043 -7.736 1.00 0.00 H new ATOM 0 HA GLN C 371 11.105 13.796 -6.944 1.00 0.00 H new ATOM 0 HB2 GLN C 371 9.408 11.923 -6.769 1.00 0.00 H new ATOM 0 HB3 GLN C 371 10.441 11.134 -5.594 1.00 0.00 H new ATOM 0 HG2 GLN C 371 10.326 13.173 -4.127 1.00 0.00 H new ATOM 0 HG3 GLN C 371 9.285 13.955 -5.301 1.00 0.00 H new ATOM 0 HE21 GLN C 371 7.252 13.993 -4.274 1.00 0.00 H new ATOM 0 HE22 GLN C 371 6.460 12.552 -3.627 1.00 0.00 H new ATOM 675 N ASP C 372 12.967 11.772 -5.091 1.00 0.00 N ATOM 676 CA ASP C 372 14.014 11.750 -4.074 1.00 0.00 C ATOM 677 C ASP C 372 15.344 11.401 -4.692 1.00 0.00 C ATOM 678 O ASP C 372 15.751 12.034 -5.660 1.00 0.00 O ATOM 679 CB ASP C 372 13.668 10.743 -2.981 1.00 0.00 C ATOM 680 CG ASP C 372 14.619 10.911 -1.801 1.00 0.00 C ATOM 681 OD1 ASP C 372 15.305 11.921 -1.753 1.00 0.00 O ATOM 682 OD2 ASP C 372 14.650 10.027 -0.960 1.00 0.00 O ATOM 0 H ASP C 372 12.660 10.850 -5.400 1.00 0.00 H new ATOM 0 HA ASP C 372 14.084 12.744 -3.631 1.00 0.00 H new ATOM 0 HB2 ASP C 372 12.639 10.888 -2.653 1.00 0.00 H new ATOM 0 HB3 ASP C 372 13.737 9.729 -3.374 1.00 0.00 H new ATOM 687 N THR C 373 16.018 10.391 -4.125 1.00 0.00 N ATOM 688 CA THR C 373 17.320 9.953 -4.616 1.00 0.00 C ATOM 689 C THR C 373 18.073 9.173 -3.552 1.00 0.00 C ATOM 690 O THR C 373 19.140 8.625 -3.815 1.00 0.00 O ATOM 691 CB THR C 373 18.160 11.177 -5.057 1.00 0.00 C ATOM 692 OG1 THR C 373 17.673 12.349 -4.399 1.00 0.00 O ATOM 693 CG2 THR C 373 18.067 11.373 -6.582 1.00 0.00 C ATOM 0 H THR C 373 15.676 9.863 -3.322 1.00 0.00 H new ATOM 0 HA THR C 373 17.155 9.297 -5.471 1.00 0.00 H new ATOM 0 HB THR C 373 19.202 11.004 -4.787 1.00 0.00 H new ATOM 0 HG1 THR C 373 17.029 12.806 -4.979 1.00 0.00 H new ATOM 0 HG21 THR C 373 18.663 12.237 -6.875 1.00 0.00 H new ATOM 0 HG22 THR C 373 18.445 10.484 -7.087 1.00 0.00 H new ATOM 0 HG23 THR C 373 17.027 11.537 -6.865 1.00 0.00 H new ATOM 701 N SER C 374 17.521 9.145 -2.355 1.00 0.00 N ATOM 702 CA SER C 374 18.151 8.439 -1.243 1.00 0.00 C ATOM 703 C SER C 374 17.602 7.032 -1.128 1.00 0.00 C ATOM 704 O SER C 374 16.649 6.676 -1.817 1.00 0.00 O ATOM 705 CB SER C 374 17.913 9.196 0.063 1.00 0.00 C ATOM 706 OG SER C 374 16.670 8.790 0.620 1.00 0.00 O ATOM 0 H SER C 374 16.639 9.601 -2.122 1.00 0.00 H new ATOM 0 HA SER C 374 19.223 8.383 -1.434 1.00 0.00 H new ATOM 0 HB2 SER C 374 18.722 8.996 0.765 1.00 0.00 H new ATOM 0 HB3 SER C 374 17.909 10.270 -0.121 1.00 0.00 H new ATOM 0 HG SER C 374 15.936 9.192 0.110 1.00 0.00 H new ATOM 712 N CYS C 375 18.214 6.233 -0.249 1.00 0.00 N ATOM 713 CA CYS C 375 17.782 4.859 -0.050 1.00 0.00 C ATOM 714 C CYS C 375 16.650 4.796 0.984 1.00 0.00 C ATOM 715 O CYS C 375 16.858 5.095 2.155 1.00 0.00 O ATOM 716 CB CYS C 375 18.938 3.997 0.409 1.00 0.00 C ATOM 717 SG CYS C 375 18.369 2.288 0.603 1.00 0.00 S ATOM 0 H CYS C 375 19.004 6.517 0.330 1.00 0.00 H new ATOM 0 HA CYS C 375 17.415 4.480 -1.004 1.00 0.00 H new ATOM 0 HB2 CYS C 375 19.751 4.042 -0.316 1.00 0.00 H new ATOM 0 HB3 CYS C 375 19.333 4.371 1.354 1.00 0.00 H new ATOM 722 N PRO C 376 15.469 4.408 0.582 1.00 0.00 N ATOM 723 CA PRO C 376 14.300 4.305 1.502 1.00 0.00 C ATOM 724 C PRO C 376 14.598 3.439 2.725 1.00 0.00 C ATOM 725 O PRO C 376 13.987 3.609 3.780 1.00 0.00 O ATOM 726 CB PRO C 376 13.213 3.644 0.633 1.00 0.00 C ATOM 727 CG PRO C 376 13.597 3.946 -0.775 1.00 0.00 C ATOM 728 CD PRO C 376 15.110 4.030 -0.791 1.00 0.00 C ATOM 0 HA PRO C 376 14.013 5.278 1.901 1.00 0.00 H new ATOM 0 HB2 PRO C 376 13.170 2.569 0.807 1.00 0.00 H new ATOM 0 HB3 PRO C 376 12.226 4.044 0.866 1.00 0.00 H new ATOM 0 HG2 PRO C 376 13.243 3.167 -1.451 1.00 0.00 H new ATOM 0 HG3 PRO C 376 13.151 4.883 -1.108 1.00 0.00 H new ATOM 0 HD2 PRO C 376 15.558 3.077 -1.071 1.00 0.00 H new ATOM 0 HD3 PRO C 376 15.459 4.770 -1.511 1.00 0.00 H new ATOM 736 N THR C 377 15.534 2.507 2.573 1.00 0.00 N ATOM 737 CA THR C 377 15.898 1.610 3.668 1.00 0.00 C ATOM 738 C THR C 377 17.224 2.021 4.291 1.00 0.00 C ATOM 739 O THR C 377 17.276 2.429 5.452 1.00 0.00 O ATOM 740 CB THR C 377 15.994 0.175 3.147 1.00 0.00 C ATOM 741 OG1 THR C 377 14.711 -0.255 2.705 1.00 0.00 O ATOM 742 CG2 THR C 377 16.486 -0.744 4.264 1.00 0.00 C ATOM 0 H THR C 377 16.052 2.352 1.708 1.00 0.00 H new ATOM 0 HA THR C 377 15.126 1.671 4.435 1.00 0.00 H new ATOM 0 HB THR C 377 16.696 0.137 2.314 1.00 0.00 H new ATOM 0 HG1 THR C 377 14.772 -1.174 2.369 1.00 0.00 H new ATOM 0 HG21 THR C 377 16.554 -1.766 3.891 1.00 0.00 H new ATOM 0 HG22 THR C 377 17.469 -0.414 4.600 1.00 0.00 H new ATOM 0 HG23 THR C 377 15.787 -0.708 5.099 1.00 0.00 H new ATOM 750 N CYS C 378 18.297 1.893 3.523 1.00 0.00 N ATOM 751 CA CYS C 378 19.624 2.234 4.015 1.00 0.00 C ATOM 752 C CYS C 378 19.681 3.696 4.429 1.00 0.00 C ATOM 753 O CYS C 378 20.545 4.086 5.218 1.00 0.00 O ATOM 754 CB CYS C 378 20.677 1.965 2.937 1.00 0.00 C ATOM 755 SG CYS C 378 20.512 0.270 2.330 1.00 0.00 S ATOM 0 H CYS C 378 18.275 1.557 2.560 1.00 0.00 H new ATOM 0 HA CYS C 378 19.834 1.611 4.884 1.00 0.00 H new ATOM 0 HB2 CYS C 378 20.556 2.669 2.114 1.00 0.00 H new ATOM 0 HB3 CYS C 378 21.676 2.119 3.345 1.00 0.00 H new ATOM 760 N ARG C 379 18.770 4.500 3.885 1.00 0.00 N ATOM 761 CA ARG C 379 18.730 5.925 4.202 1.00 0.00 C ATOM 762 C ARG C 379 20.028 6.599 3.794 1.00 0.00 C ATOM 763 O ARG C 379 20.359 7.676 4.288 1.00 0.00 O ATOM 764 CB ARG C 379 18.495 6.122 5.701 1.00 0.00 C ATOM 765 CG ARG C 379 17.055 5.741 6.048 1.00 0.00 C ATOM 766 CD ARG C 379 16.829 5.921 7.548 1.00 0.00 C ATOM 767 NE ARG C 379 17.644 4.973 8.300 1.00 0.00 N ATOM 768 CZ ARG C 379 17.232 3.728 8.518 1.00 0.00 C ATOM 769 NH1 ARG C 379 16.074 3.338 8.056 1.00 0.00 N ATOM 770 NH2 ARG C 379 17.978 2.902 9.194 1.00 0.00 N ATOM 0 H ARG C 379 18.054 4.191 3.227 1.00 0.00 H new ATOM 0 HA ARG C 379 17.910 6.379 3.646 1.00 0.00 H new ATOM 0 HB2 ARG C 379 19.192 5.509 6.272 1.00 0.00 H new ATOM 0 HB3 ARG C 379 18.684 7.160 5.976 1.00 0.00 H new ATOM 0 HG2 ARG C 379 16.358 6.363 5.487 1.00 0.00 H new ATOM 0 HG3 ARG C 379 16.862 4.707 5.762 1.00 0.00 H new ATOM 0 HD2 ARG C 379 17.081 6.940 7.841 1.00 0.00 H new ATOM 0 HD3 ARG C 379 15.775 5.773 7.784 1.00 0.00 H new ATOM 0 HE ARG C 379 18.548 5.271 8.666 1.00 0.00 H new ATOM 0 HH11 ARG C 379 15.490 3.988 7.530 1.00 0.00 H new ATOM 0 HH12 ARG C 379 15.754 2.384 8.221 1.00 0.00 H new ATOM 0 HH21 ARG C 379 18.880 3.210 9.557 1.00 0.00 H new ATOM 0 HH22 ARG C 379 17.660 1.947 9.360 1.00 0.00 H new ATOM 784 N MET C 380 20.762 5.964 2.884 1.00 0.00 N ATOM 785 CA MET C 380 22.030 6.516 2.407 1.00 0.00 C ATOM 786 C MET C 380 21.878 7.063 0.991 1.00 0.00 C ATOM 787 O MET C 380 21.203 6.463 0.154 1.00 0.00 O ATOM 788 CB MET C 380 23.113 5.437 2.433 1.00 0.00 C ATOM 789 CG MET C 380 24.459 6.056 2.047 1.00 0.00 C ATOM 790 SD MET C 380 25.750 4.791 2.125 1.00 0.00 S ATOM 791 CE MET C 380 25.572 4.181 0.431 1.00 0.00 C ATOM 0 H MET C 380 20.504 5.071 2.463 1.00 0.00 H new ATOM 0 HA MET C 380 22.321 7.333 3.067 1.00 0.00 H new ATOM 0 HB2 MET C 380 23.176 4.994 3.427 1.00 0.00 H new ATOM 0 HB3 MET C 380 22.858 4.634 1.741 1.00 0.00 H new ATOM 0 HG2 MET C 380 24.404 6.473 1.042 1.00 0.00 H new ATOM 0 HG3 MET C 380 24.700 6.878 2.721 1.00 0.00 H new ATOM 0 HE1 MET C 380 26.288 3.378 0.256 1.00 0.00 H new ATOM 0 HE2 MET C 380 24.560 3.803 0.285 1.00 0.00 H new ATOM 0 HE3 MET C 380 25.761 4.994 -0.270 1.00 0.00 H new ATOM 801 N SER C 381 22.516 8.197 0.729 1.00 0.00 N ATOM 802 CA SER C 381 22.457 8.811 -0.592 1.00 0.00 C ATOM 803 C SER C 381 23.391 8.087 -1.558 1.00 0.00 C ATOM 804 O SER C 381 24.606 8.279 -1.524 1.00 0.00 O ATOM 805 CB SER C 381 22.853 10.283 -0.505 1.00 0.00 C ATOM 806 OG SER C 381 24.252 10.380 -0.272 1.00 0.00 O ATOM 0 H SER C 381 23.078 8.708 1.410 1.00 0.00 H new ATOM 0 HA SER C 381 21.435 8.734 -0.962 1.00 0.00 H new ATOM 0 HB2 SER C 381 22.590 10.797 -1.429 1.00 0.00 H new ATOM 0 HB3 SER C 381 22.304 10.772 0.299 1.00 0.00 H new ATOM 0 HG SER C 381 24.677 9.518 -0.467 1.00 0.00 H new ATOM 812 N LEU C 382 22.815 7.254 -2.419 1.00 0.00 N ATOM 813 CA LEU C 382 23.610 6.503 -3.387 1.00 0.00 C ATOM 814 C LEU C 382 24.316 7.459 -4.350 1.00 0.00 C ATOM 815 O LEU C 382 24.363 8.667 -4.118 1.00 0.00 O ATOM 816 CB LEU C 382 22.706 5.557 -4.181 1.00 0.00 C ATOM 817 CG LEU C 382 21.435 6.314 -4.637 1.00 0.00 C ATOM 818 CD1 LEU C 382 21.198 6.073 -6.130 1.00 0.00 C ATOM 819 CD2 LEU C 382 20.226 5.810 -3.840 1.00 0.00 C ATOM 0 H LEU C 382 21.811 7.082 -2.467 1.00 0.00 H new ATOM 0 HA LEU C 382 24.359 5.924 -2.847 1.00 0.00 H new ATOM 0 HB2 LEU C 382 23.241 5.169 -5.048 1.00 0.00 H new ATOM 0 HB3 LEU C 382 22.430 4.700 -3.566 1.00 0.00 H new ATOM 0 HG LEU C 382 21.569 7.381 -4.461 1.00 0.00 H new ATOM 0 HD11 LEU C 382 20.303 6.607 -6.447 1.00 0.00 H new ATOM 0 HD12 LEU C 382 22.056 6.434 -6.697 1.00 0.00 H new ATOM 0 HD13 LEU C 382 21.067 5.006 -6.310 1.00 0.00 H new ATOM 0 HD21 LEU C 382 19.331 6.343 -4.161 1.00 0.00 H new ATOM 0 HD22 LEU C 382 20.095 4.742 -4.015 1.00 0.00 H new ATOM 0 HD23 LEU C 382 20.392 5.986 -2.777 1.00 0.00 H new ATOM 831 N ASN C 383 24.859 6.908 -5.430 1.00 0.00 N ATOM 832 CA ASN C 383 25.562 7.717 -6.417 1.00 0.00 C ATOM 833 C ASN C 383 24.581 8.589 -7.188 1.00 0.00 C ATOM 834 O ASN C 383 23.427 8.214 -7.391 1.00 0.00 O ATOM 835 CB ASN C 383 26.316 6.810 -7.393 1.00 0.00 C ATOM 836 CG ASN C 383 27.481 6.134 -6.681 1.00 0.00 C ATOM 837 OD1 ASN C 383 27.942 6.617 -5.646 1.00 0.00 O ATOM 838 ND2 ASN C 383 27.987 5.036 -7.175 1.00 0.00 N ATOM 0 H ASN C 383 24.826 5.911 -5.643 1.00 0.00 H new ATOM 0 HA ASN C 383 26.271 8.360 -5.895 1.00 0.00 H new ATOM 0 HB2 ASN C 383 25.640 6.057 -7.799 1.00 0.00 H new ATOM 0 HB3 ASN C 383 26.684 7.395 -8.236 1.00 0.00 H new ATOM 0 HD21 ASN C 383 28.766 4.576 -6.704 1.00 0.00 H new ATOM 0 HD22 ASN C 383 27.603 4.638 -8.032 1.00 0.00 H new ATOM 845 N ILE C 384 25.045 9.758 -7.617 1.00 0.00 N ATOM 846 CA ILE C 384 24.199 10.684 -8.368 1.00 0.00 C ATOM 847 C ILE C 384 25.012 11.405 -9.437 1.00 0.00 C ATOM 848 O ILE C 384 26.201 11.577 -9.235 1.00 0.00 O ATOM 849 CB ILE C 384 23.579 11.709 -7.418 1.00 0.00 C ATOM 850 CG1 ILE C 384 22.580 12.574 -8.189 1.00 0.00 C ATOM 851 CG2 ILE C 384 24.677 12.597 -6.833 1.00 0.00 C ATOM 852 CD1 ILE C 384 21.755 13.405 -7.202 1.00 0.00 C ATOM 0 H ILE C 384 25.997 10.087 -7.459 1.00 0.00 H new ATOM 0 HA ILE C 384 23.408 10.113 -8.854 1.00 0.00 H new ATOM 0 HB ILE C 384 23.066 11.190 -6.608 1.00 0.00 H new ATOM 0 HG12 ILE C 384 23.109 13.230 -8.880 1.00 0.00 H new ATOM 0 HG13 ILE C 384 21.923 11.943 -8.788 1.00 0.00 H new ATOM 0 HG21 ILE C 384 24.233 13.327 -6.156 1.00 0.00 H new ATOM 0 HG22 ILE C 384 25.390 11.981 -6.285 1.00 0.00 H new ATOM 0 HG23 ILE C 384 25.193 13.117 -7.640 1.00 0.00 H new ATOM 0 HD11 ILE C 384 21.043 14.021 -7.751 1.00 0.00 H new ATOM 0 HD12 ILE C 384 21.215 12.739 -6.529 1.00 0.00 H new ATOM 0 HD13 ILE C 384 22.419 14.047 -6.623 1.00 0.00 H new TER 864 ILE C 384 HETATM 865 ZN ZN C 900 6.923 -1.558 -7.920 1.00 0.00 ZN HETATM 866 ZN ZN C 901 19.105 0.255 0.488 1.00 0.00 ZN