USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=9 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 -115:sc= 1.19 USER MOD Single : C 337 ASN : amide:sc= -1.45! C(o=-1.5!,f=-4.4!) USER MOD Single : C 338 ASN : amide:sc= -1.71 K(o=-1.7,f=-5.7!) USER MOD Single : C 347 SER OG : rot -53:sc= 0.302! USER MOD Single : C 348 MET CE :methyl -174:sc= 0 (180deg=-0.00574) USER MOD Single : C 349 GLN : amide:sc= -7.29! K(o=-7.3!,f=-1.1) USER MOD Single : C 353 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 361 HIS : no HD1:sc= -6.17 K(o=-6.2,f=-3.4) USER MOD Single : C 362 ASN : amide:sc= -0.0257 K(o=-0.026,f=-1.2) USER MOD Single : C 363 SER OG : rot 180:sc= 0 USER MOD Single : C 367 SER OG : rot -27:sc= 0.478 USER MOD Single : C 371 GLN : amide:sc=-0.00454 K(o=-0.0045,f=-1.5) USER MOD Single : C 373 THR OG1 : rot 62:sc= 0.141 USER MOD Single : C 374 SER OG : rot -115:sc= 0.0908 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= 0 X(o=0,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA C 327 15.753 -0.221 -18.422 1.00 0.00 N ATOM 2 CA ALA C 327 17.050 -0.013 -17.719 1.00 0.00 C ATOM 3 C ALA C 327 17.197 -1.052 -16.614 1.00 0.00 C ATOM 4 O ALA C 327 17.756 -0.766 -15.559 1.00 0.00 O ATOM 5 CB ALA C 327 17.081 1.392 -17.114 1.00 0.00 C ATOM 0 HA ALA C 327 17.872 -0.119 -18.427 1.00 0.00 H new ATOM 0 HB1 ALA C 327 18.029 1.546 -16.599 1.00 0.00 H new ATOM 0 HB2 ALA C 327 16.975 2.132 -17.907 1.00 0.00 H new ATOM 0 HB3 ALA C 327 16.261 1.501 -16.404 1.00 0.00 H new ATOM 11 N VAL C 328 16.691 -2.258 -16.864 1.00 0.00 N ATOM 12 CA VAL C 328 16.769 -3.339 -15.877 1.00 0.00 C ATOM 13 C VAL C 328 17.692 -4.442 -16.378 1.00 0.00 C ATOM 14 O VAL C 328 17.553 -4.920 -17.504 1.00 0.00 O ATOM 15 CB VAL C 328 15.374 -3.914 -15.630 1.00 0.00 C ATOM 16 CG1 VAL C 328 15.455 -4.967 -14.528 1.00 0.00 C ATOM 17 CG2 VAL C 328 14.430 -2.790 -15.199 1.00 0.00 C ATOM 0 H VAL C 328 16.225 -2.513 -17.735 1.00 0.00 H new ATOM 0 HA VAL C 328 17.167 -2.937 -14.945 1.00 0.00 H new ATOM 0 HB VAL C 328 14.996 -4.371 -16.544 1.00 0.00 H new ATOM 0 HG11 VAL C 328 14.463 -5.381 -14.347 1.00 0.00 H new ATOM 0 HG12 VAL C 328 16.131 -5.765 -14.836 1.00 0.00 H new ATOM 0 HG13 VAL C 328 15.829 -4.508 -13.613 1.00 0.00 H new ATOM 0 HG21 VAL C 328 13.435 -3.198 -15.022 1.00 0.00 H new ATOM 0 HG22 VAL C 328 14.803 -2.333 -14.282 1.00 0.00 H new ATOM 0 HG23 VAL C 328 14.379 -2.036 -15.985 1.00 0.00 H new ATOM 27 N ALA C 329 18.641 -4.837 -15.537 1.00 0.00 N ATOM 28 CA ALA C 329 19.591 -5.884 -15.900 1.00 0.00 C ATOM 29 C ALA C 329 19.054 -7.246 -15.494 1.00 0.00 C ATOM 30 O ALA C 329 19.448 -8.273 -16.051 1.00 0.00 O ATOM 31 CB ALA C 329 20.931 -5.635 -15.205 1.00 0.00 C ATOM 0 H ALA C 329 18.774 -4.450 -14.602 1.00 0.00 H new ATOM 0 HA ALA C 329 19.734 -5.866 -16.980 1.00 0.00 H new ATOM 0 HB1 ALA C 329 21.635 -6.420 -15.480 1.00 0.00 H new ATOM 0 HB2 ALA C 329 21.327 -4.668 -15.514 1.00 0.00 H new ATOM 0 HB3 ALA C 329 20.787 -5.640 -14.125 1.00 0.00 H new ATOM 37 N THR C 330 18.157 -7.254 -14.511 1.00 0.00 N ATOM 38 CA THR C 330 17.583 -8.504 -14.031 1.00 0.00 C ATOM 39 C THR C 330 16.367 -8.907 -14.872 1.00 0.00 C ATOM 40 O THR C 330 15.599 -8.054 -15.313 1.00 0.00 O ATOM 41 CB THR C 330 17.166 -8.370 -12.565 1.00 0.00 C ATOM 42 OG1 THR C 330 15.859 -7.816 -12.497 1.00 0.00 O ATOM 43 CG2 THR C 330 18.153 -7.455 -11.831 1.00 0.00 C ATOM 0 H THR C 330 17.816 -6.418 -14.037 1.00 0.00 H new ATOM 0 HA THR C 330 18.345 -9.278 -14.122 1.00 0.00 H new ATOM 0 HB THR C 330 17.170 -9.353 -12.093 1.00 0.00 H new ATOM 0 HG1 THR C 330 15.899 -6.936 -12.069 1.00 0.00 H new ATOM 0 HG21 THR C 330 17.854 -7.361 -10.787 1.00 0.00 H new ATOM 0 HG22 THR C 330 19.154 -7.882 -11.885 1.00 0.00 H new ATOM 0 HG23 THR C 330 18.153 -6.470 -12.299 1.00 0.00 H new ATOM 51 N PRO C 331 16.163 -10.184 -15.092 1.00 0.00 N ATOM 52 CA PRO C 331 15.002 -10.689 -15.881 1.00 0.00 C ATOM 53 C PRO C 331 13.692 -10.606 -15.099 1.00 0.00 C ATOM 54 O PRO C 331 13.689 -10.616 -13.867 1.00 0.00 O ATOM 55 CB PRO C 331 15.378 -12.149 -16.167 1.00 0.00 C ATOM 56 CG PRO C 331 16.227 -12.546 -15.007 1.00 0.00 C ATOM 57 CD PRO C 331 17.012 -11.298 -14.617 1.00 0.00 C ATOM 0 HA PRO C 331 14.827 -10.100 -16.781 1.00 0.00 H new ATOM 0 HB2 PRO C 331 14.492 -12.780 -16.246 1.00 0.00 H new ATOM 0 HB3 PRO C 331 15.921 -12.243 -17.108 1.00 0.00 H new ATOM 0 HG2 PRO C 331 15.614 -12.897 -14.177 1.00 0.00 H new ATOM 0 HG3 PRO C 331 16.898 -13.362 -15.275 1.00 0.00 H new ATOM 0 HD2 PRO C 331 17.173 -11.247 -13.540 1.00 0.00 H new ATOM 0 HD3 PRO C 331 17.995 -11.280 -15.088 1.00 0.00 H new ATOM 65 N GLU C 332 12.582 -10.551 -15.824 1.00 0.00 N ATOM 66 CA GLU C 332 11.270 -10.497 -15.191 1.00 0.00 C ATOM 67 C GLU C 332 11.111 -11.666 -14.220 1.00 0.00 C ATOM 68 O GLU C 332 10.241 -11.645 -13.345 1.00 0.00 O ATOM 69 CB GLU C 332 10.176 -10.556 -16.262 1.00 0.00 C ATOM 70 CG GLU C 332 10.293 -11.869 -17.043 1.00 0.00 C ATOM 71 CD GLU C 332 9.282 -11.888 -18.182 1.00 0.00 C ATOM 72 OE1 GLU C 332 8.211 -11.331 -18.009 1.00 0.00 O ATOM 73 OE2 GLU C 332 9.596 -12.456 -19.215 1.00 0.00 O ATOM 0 H GLU C 332 12.563 -10.543 -16.844 1.00 0.00 H new ATOM 0 HA GLU C 332 11.179 -9.562 -14.638 1.00 0.00 H new ATOM 0 HB2 GLU C 332 9.193 -10.484 -15.797 1.00 0.00 H new ATOM 0 HB3 GLU C 332 10.270 -9.708 -16.940 1.00 0.00 H new ATOM 0 HG2 GLU C 332 11.302 -11.977 -17.440 1.00 0.00 H new ATOM 0 HG3 GLU C 332 10.120 -12.715 -16.377 1.00 0.00 H new ATOM 80 N GLU C 333 11.957 -12.682 -14.380 1.00 0.00 N ATOM 81 CA GLU C 333 11.907 -13.851 -13.512 1.00 0.00 C ATOM 82 C GLU C 333 12.231 -13.460 -12.078 1.00 0.00 C ATOM 83 O GLU C 333 11.612 -13.952 -11.134 1.00 0.00 O ATOM 84 CB GLU C 333 12.908 -14.902 -14.001 1.00 0.00 C ATOM 85 CG GLU C 333 12.407 -15.514 -15.310 1.00 0.00 C ATOM 86 CD GLU C 333 13.410 -16.545 -15.819 1.00 0.00 C ATOM 87 OE1 GLU C 333 14.444 -16.697 -15.191 1.00 0.00 O ATOM 88 OE2 GLU C 333 13.125 -17.170 -16.827 1.00 0.00 O ATOM 0 H GLU C 333 12.680 -12.717 -15.099 1.00 0.00 H new ATOM 0 HA GLU C 333 10.900 -14.268 -13.543 1.00 0.00 H new ATOM 0 HB2 GLU C 333 13.886 -14.445 -14.152 1.00 0.00 H new ATOM 0 HB3 GLU C 333 13.032 -15.680 -13.248 1.00 0.00 H new ATOM 0 HG2 GLU C 333 11.436 -15.985 -15.153 1.00 0.00 H new ATOM 0 HG3 GLU C 333 12.266 -14.732 -16.056 1.00 0.00 H new ATOM 95 N LEU C 334 13.209 -12.579 -11.920 1.00 0.00 N ATOM 96 CA LEU C 334 13.607 -12.141 -10.594 1.00 0.00 C ATOM 97 C LEU C 334 12.441 -11.477 -9.879 1.00 0.00 C ATOM 98 O LEU C 334 12.210 -11.717 -8.694 1.00 0.00 O ATOM 99 CB LEU C 334 14.783 -11.157 -10.696 1.00 0.00 C ATOM 100 CG LEU C 334 15.155 -10.629 -9.300 1.00 0.00 C ATOM 101 CD1 LEU C 334 15.506 -11.805 -8.375 1.00 0.00 C ATOM 102 CD2 LEU C 334 16.356 -9.687 -9.417 1.00 0.00 C ATOM 0 H LEU C 334 13.735 -12.159 -12.686 1.00 0.00 H new ATOM 0 HA LEU C 334 13.918 -13.014 -10.020 1.00 0.00 H new ATOM 0 HB2 LEU C 334 15.643 -11.652 -11.147 1.00 0.00 H new ATOM 0 HB3 LEU C 334 14.516 -10.326 -11.348 1.00 0.00 H new ATOM 0 HG LEU C 334 14.308 -10.087 -8.880 1.00 0.00 H new ATOM 0 HD11 LEU C 334 15.769 -11.425 -7.388 1.00 0.00 H new ATOM 0 HD12 LEU C 334 14.647 -12.471 -8.291 1.00 0.00 H new ATOM 0 HD13 LEU C 334 16.352 -12.354 -8.789 1.00 0.00 H new ATOM 0 HD21 LEU C 334 16.621 -9.311 -8.429 1.00 0.00 H new ATOM 0 HD22 LEU C 334 17.203 -10.228 -9.839 1.00 0.00 H new ATOM 0 HD23 LEU C 334 16.100 -8.850 -10.066 1.00 0.00 H new ATOM 114 N ALA C 335 11.712 -10.641 -10.601 1.00 0.00 N ATOM 115 CA ALA C 335 10.575 -9.951 -10.017 1.00 0.00 C ATOM 116 C ALA C 335 9.503 -10.946 -9.591 1.00 0.00 C ATOM 117 O ALA C 335 9.047 -10.933 -8.447 1.00 0.00 O ATOM 118 CB ALA C 335 9.988 -8.965 -11.036 1.00 0.00 C ATOM 0 H ALA C 335 11.885 -10.426 -11.583 1.00 0.00 H new ATOM 0 HA ALA C 335 10.915 -9.407 -9.136 1.00 0.00 H new ATOM 0 HB1 ALA C 335 9.135 -8.450 -10.594 1.00 0.00 H new ATOM 0 HB2 ALA C 335 10.748 -8.235 -11.316 1.00 0.00 H new ATOM 0 HB3 ALA C 335 9.663 -9.509 -11.923 1.00 0.00 H new ATOM 124 N VAL C 336 9.119 -11.818 -10.514 1.00 0.00 N ATOM 125 CA VAL C 336 8.095 -12.815 -10.220 1.00 0.00 C ATOM 126 C VAL C 336 8.551 -13.703 -9.071 1.00 0.00 C ATOM 127 O VAL C 336 7.794 -13.961 -8.136 1.00 0.00 O ATOM 128 CB VAL C 336 7.824 -13.661 -11.469 1.00 0.00 C ATOM 129 CG1 VAL C 336 6.918 -14.842 -11.108 1.00 0.00 C ATOM 130 CG2 VAL C 336 7.132 -12.799 -12.536 1.00 0.00 C ATOM 0 H VAL C 336 9.495 -11.857 -11.461 1.00 0.00 H new ATOM 0 HA VAL C 336 7.174 -12.310 -9.928 1.00 0.00 H new ATOM 0 HB VAL C 336 8.771 -14.035 -11.859 1.00 0.00 H new ATOM 0 HG11 VAL C 336 6.728 -15.441 -11.999 1.00 0.00 H new ATOM 0 HG12 VAL C 336 7.407 -15.459 -10.354 1.00 0.00 H new ATOM 0 HG13 VAL C 336 5.973 -14.468 -10.714 1.00 0.00 H new ATOM 0 HG21 VAL C 336 6.940 -13.403 -13.423 1.00 0.00 H new ATOM 0 HG22 VAL C 336 6.188 -12.422 -12.143 1.00 0.00 H new ATOM 0 HG23 VAL C 336 7.776 -11.960 -12.800 1.00 0.00 H new ATOM 140 N ASN C 337 9.790 -14.166 -9.149 1.00 0.00 N ATOM 141 CA ASN C 337 10.336 -15.023 -8.106 1.00 0.00 C ATOM 142 C ASN C 337 10.389 -14.264 -6.785 1.00 0.00 C ATOM 143 O ASN C 337 10.142 -14.838 -5.725 1.00 0.00 O ATOM 144 CB ASN C 337 11.742 -15.493 -8.489 1.00 0.00 C ATOM 145 CG ASN C 337 12.321 -16.361 -7.378 1.00 0.00 C ATOM 146 OD1 ASN C 337 12.450 -15.914 -6.239 1.00 0.00 O ATOM 147 ND2 ASN C 337 12.685 -17.587 -7.645 1.00 0.00 N ATOM 0 H ASN C 337 10.432 -13.965 -9.916 1.00 0.00 H new ATOM 0 HA ASN C 337 9.690 -15.894 -7.994 1.00 0.00 H new ATOM 0 HB2 ASN C 337 11.705 -16.057 -9.421 1.00 0.00 H new ATOM 0 HB3 ASN C 337 12.387 -14.632 -8.663 1.00 0.00 H new ATOM 0 HD21 ASN C 337 13.077 -18.175 -6.909 1.00 0.00 H new ATOM 0 HD22 ASN C 337 12.578 -17.957 -8.590 1.00 0.00 H new ATOM 154 N ASN C 338 10.709 -12.970 -6.859 1.00 0.00 N ATOM 155 CA ASN C 338 10.788 -12.131 -5.665 1.00 0.00 C ATOM 156 C ASN C 338 9.678 -11.086 -5.687 1.00 0.00 C ATOM 157 O ASN C 338 9.946 -9.889 -5.777 1.00 0.00 O ATOM 158 CB ASN C 338 12.149 -11.435 -5.606 1.00 0.00 C ATOM 159 CG ASN C 338 12.289 -10.690 -4.285 1.00 0.00 C ATOM 160 OD1 ASN C 338 11.292 -10.375 -3.639 1.00 0.00 O ATOM 161 ND2 ASN C 338 13.480 -10.391 -3.838 1.00 0.00 N ATOM 0 H ASN C 338 10.917 -12.483 -7.731 1.00 0.00 H new ATOM 0 HA ASN C 338 10.668 -12.761 -4.783 1.00 0.00 H new ATOM 0 HB2 ASN C 338 12.948 -12.169 -5.707 1.00 0.00 H new ATOM 0 HB3 ASN C 338 12.249 -10.739 -6.439 1.00 0.00 H new ATOM 0 HD21 ASN C 338 13.583 -9.896 -2.952 1.00 0.00 H new ATOM 0 HD22 ASN C 338 14.307 -10.653 -4.375 1.00 0.00 H new ATOM 168 N ASP C 339 8.434 -11.547 -5.595 1.00 0.00 N ATOM 169 CA ASP C 339 7.291 -10.649 -5.604 1.00 0.00 C ATOM 170 C ASP C 339 7.129 -9.980 -4.248 1.00 0.00 C ATOM 171 O ASP C 339 6.556 -10.555 -3.322 1.00 0.00 O ATOM 172 CB ASP C 339 6.022 -11.434 -5.955 1.00 0.00 C ATOM 173 CG ASP C 339 5.965 -12.724 -5.146 1.00 0.00 C ATOM 174 OD1 ASP C 339 6.685 -12.817 -4.164 1.00 0.00 O ATOM 175 OD2 ASP C 339 5.196 -13.596 -5.512 1.00 0.00 O ATOM 0 H ASP C 339 8.195 -12.535 -5.514 1.00 0.00 H new ATOM 0 HA ASP C 339 7.457 -9.876 -6.354 1.00 0.00 H new ATOM 0 HB2 ASP C 339 5.141 -10.827 -5.749 1.00 0.00 H new ATOM 0 HB3 ASP C 339 6.009 -11.663 -7.021 1.00 0.00 H new ATOM 180 N ASP C 340 7.633 -8.756 -4.143 1.00 0.00 N ATOM 181 CA ASP C 340 7.538 -8.006 -2.891 1.00 0.00 C ATOM 182 C ASP C 340 8.033 -6.579 -3.080 1.00 0.00 C ATOM 183 O ASP C 340 9.201 -6.280 -2.842 1.00 0.00 O ATOM 184 CB ASP C 340 8.369 -8.689 -1.807 1.00 0.00 C ATOM 185 CG ASP C 340 8.119 -8.025 -0.457 1.00 0.00 C ATOM 186 OD1 ASP C 340 7.008 -7.572 -0.238 1.00 0.00 O ATOM 187 OD2 ASP C 340 9.043 -7.981 0.338 1.00 0.00 O ATOM 0 H ASP C 340 8.107 -8.264 -4.900 1.00 0.00 H new ATOM 0 HA ASP C 340 6.491 -7.981 -2.588 1.00 0.00 H new ATOM 0 HB2 ASP C 340 8.112 -9.747 -1.754 1.00 0.00 H new ATOM 0 HB3 ASP C 340 9.428 -8.631 -2.059 1.00 0.00 H new ATOM 192 N CYS C 341 7.138 -5.699 -3.514 1.00 0.00 N ATOM 193 CA CYS C 341 7.492 -4.294 -3.737 1.00 0.00 C ATOM 194 C CYS C 341 7.125 -3.447 -2.526 1.00 0.00 C ATOM 195 O CYS C 341 6.044 -3.583 -1.964 1.00 0.00 O ATOM 196 CB CYS C 341 6.765 -3.762 -4.974 1.00 0.00 C ATOM 197 SG CYS C 341 7.583 -2.256 -5.569 1.00 0.00 S ATOM 0 H CYS C 341 6.165 -5.928 -3.719 1.00 0.00 H new ATOM 0 HA CYS C 341 8.569 -4.233 -3.893 1.00 0.00 H new ATOM 0 HB2 CYS C 341 6.762 -4.519 -5.758 1.00 0.00 H new ATOM 0 HB3 CYS C 341 5.724 -3.549 -4.732 1.00 0.00 H new ATOM 202 N ALA C 342 8.031 -2.571 -2.126 1.00 0.00 N ATOM 203 CA ALA C 342 7.785 -1.698 -0.980 1.00 0.00 C ATOM 204 C ALA C 342 7.300 -0.336 -1.459 1.00 0.00 C ATOM 205 O ALA C 342 6.796 0.464 -0.673 1.00 0.00 O ATOM 206 CB ALA C 342 9.063 -1.527 -0.164 1.00 0.00 C ATOM 0 H ALA C 342 8.940 -2.442 -2.571 1.00 0.00 H new ATOM 0 HA ALA C 342 7.019 -2.154 -0.352 1.00 0.00 H new ATOM 0 HB1 ALA C 342 8.867 -0.875 0.687 1.00 0.00 H new ATOM 0 HB2 ALA C 342 9.399 -2.500 0.195 1.00 0.00 H new ATOM 0 HB3 ALA C 342 9.838 -1.084 -0.790 1.00 0.00 H new ATOM 212 N ILE C 343 7.465 -0.074 -2.754 1.00 0.00 N ATOM 213 CA ILE C 343 7.045 1.205 -3.323 1.00 0.00 C ATOM 214 C ILE C 343 5.616 1.132 -3.851 1.00 0.00 C ATOM 215 O ILE C 343 4.691 1.675 -3.247 1.00 0.00 O ATOM 216 CB ILE C 343 7.994 1.606 -4.462 1.00 0.00 C ATOM 217 CG1 ILE C 343 9.299 2.157 -3.876 1.00 0.00 C ATOM 218 CG2 ILE C 343 7.342 2.684 -5.350 1.00 0.00 C ATOM 219 CD1 ILE C 343 9.893 1.151 -2.889 1.00 0.00 C ATOM 0 H ILE C 343 7.882 -0.722 -3.423 1.00 0.00 H new ATOM 0 HA ILE C 343 7.081 1.954 -2.532 1.00 0.00 H new ATOM 0 HB ILE C 343 8.204 0.724 -5.067 1.00 0.00 H new ATOM 0 HG12 ILE C 343 10.011 2.358 -4.677 1.00 0.00 H new ATOM 0 HG13 ILE C 343 9.110 3.105 -3.373 1.00 0.00 H new ATOM 0 HG21 ILE C 343 8.027 2.958 -6.152 1.00 0.00 H new ATOM 0 HG22 ILE C 343 6.419 2.293 -5.778 1.00 0.00 H new ATOM 0 HG23 ILE C 343 7.118 3.565 -4.748 1.00 0.00 H new ATOM 0 HD11 ILE C 343 10.820 1.550 -2.477 1.00 0.00 H new ATOM 0 HD12 ILE C 343 9.184 0.972 -2.081 1.00 0.00 H new ATOM 0 HD13 ILE C 343 10.099 0.213 -3.405 1.00 0.00 H new ATOM 231 N CYS C 344 5.446 0.480 -5.001 1.00 0.00 N ATOM 232 CA CYS C 344 4.134 0.372 -5.621 1.00 0.00 C ATOM 233 C CYS C 344 3.365 -0.812 -5.066 1.00 0.00 C ATOM 234 O CYS C 344 2.186 -0.986 -5.364 1.00 0.00 O ATOM 235 CB CYS C 344 4.289 0.216 -7.133 1.00 0.00 C ATOM 236 SG CYS C 344 5.227 -1.292 -7.483 1.00 0.00 S ATOM 0 H CYS C 344 6.198 0.023 -5.516 1.00 0.00 H new ATOM 0 HA CYS C 344 3.576 1.281 -5.399 1.00 0.00 H new ATOM 0 HB2 CYS C 344 3.309 0.167 -7.608 1.00 0.00 H new ATOM 0 HB3 CYS C 344 4.802 1.083 -7.549 1.00 0.00 H new ATOM 241 N TRP C 345 4.041 -1.625 -4.259 1.00 0.00 N ATOM 242 CA TRP C 345 3.408 -2.794 -3.662 1.00 0.00 C ATOM 243 C TRP C 345 2.908 -3.749 -4.738 1.00 0.00 C ATOM 244 O TRP C 345 2.073 -4.612 -4.476 1.00 0.00 O ATOM 245 CB TRP C 345 2.244 -2.357 -2.768 1.00 0.00 C ATOM 246 CG TRP C 345 2.760 -1.471 -1.678 1.00 0.00 C ATOM 247 CD1 TRP C 345 2.656 -0.123 -1.660 1.00 0.00 C ATOM 248 CD2 TRP C 345 3.452 -1.843 -0.451 1.00 0.00 C ATOM 249 NE1 TRP C 345 3.239 0.358 -0.501 1.00 0.00 N ATOM 250 CE2 TRP C 345 3.743 -0.666 0.278 1.00 0.00 C ATOM 251 CE3 TRP C 345 3.850 -3.077 0.096 1.00 0.00 C ATOM 252 CZ2 TRP C 345 4.405 -0.709 1.505 1.00 0.00 C ATOM 253 CZ3 TRP C 345 4.516 -3.124 1.330 1.00 0.00 C ATOM 254 CH2 TRP C 345 4.794 -1.943 2.035 1.00 0.00 C ATOM 0 H TRP C 345 5.021 -1.496 -4.005 1.00 0.00 H new ATOM 0 HA TRP C 345 4.150 -3.316 -3.058 1.00 0.00 H new ATOM 0 HB2 TRP C 345 1.496 -1.828 -3.359 1.00 0.00 H new ATOM 0 HB3 TRP C 345 1.752 -3.230 -2.340 1.00 0.00 H new ATOM 0 HD1 TRP C 345 2.193 0.481 -2.426 1.00 0.00 H new ATOM 0 HE1 TRP C 345 3.290 1.346 -0.252 1.00 0.00 H new ATOM 0 HE3 TRP C 345 3.642 -3.993 -0.437 1.00 0.00 H new ATOM 0 HZ2 TRP C 345 4.616 0.204 2.042 1.00 0.00 H new ATOM 0 HZ3 TRP C 345 4.817 -4.077 1.740 1.00 0.00 H new ATOM 0 HH2 TRP C 345 5.307 -1.987 2.984 1.00 0.00 H new ATOM 265 N ASP C 346 3.437 -3.598 -5.952 1.00 0.00 N ATOM 266 CA ASP C 346 3.039 -4.465 -7.056 1.00 0.00 C ATOM 267 C ASP C 346 3.477 -5.899 -6.792 1.00 0.00 C ATOM 268 O ASP C 346 2.661 -6.817 -6.829 1.00 0.00 O ATOM 269 CB ASP C 346 3.667 -3.972 -8.359 1.00 0.00 C ATOM 270 CG ASP C 346 2.994 -2.675 -8.801 1.00 0.00 C ATOM 271 OD1 ASP C 346 1.931 -2.376 -8.283 1.00 0.00 O ATOM 272 OD2 ASP C 346 3.554 -2.000 -9.649 1.00 0.00 O ATOM 0 H ASP C 346 4.133 -2.892 -6.192 1.00 0.00 H new ATOM 0 HA ASP C 346 1.953 -4.437 -7.143 1.00 0.00 H new ATOM 0 HB2 ASP C 346 4.735 -3.808 -8.219 1.00 0.00 H new ATOM 0 HB3 ASP C 346 3.560 -4.730 -9.135 1.00 0.00 H new ATOM 277 N SER C 347 4.763 -6.076 -6.499 1.00 0.00 N ATOM 278 CA SER C 347 5.299 -7.402 -6.206 1.00 0.00 C ATOM 279 C SER C 347 5.550 -8.193 -7.486 1.00 0.00 C ATOM 280 O SER C 347 5.345 -9.402 -7.521 1.00 0.00 O ATOM 281 CB SER C 347 4.322 -8.170 -5.305 1.00 0.00 C ATOM 282 OG SER C 347 3.459 -8.963 -6.113 1.00 0.00 O ATOM 0 H SER C 347 5.449 -5.323 -6.458 1.00 0.00 H new ATOM 0 HA SER C 347 6.252 -7.276 -5.692 1.00 0.00 H new ATOM 0 HB2 SER C 347 4.872 -8.804 -4.610 1.00 0.00 H new ATOM 0 HB3 SER C 347 3.738 -7.472 -4.705 1.00 0.00 H new ATOM 0 HG SER C 347 3.033 -8.397 -6.790 1.00 0.00 H new ATOM 288 N MET C 348 6.005 -7.509 -8.526 1.00 0.00 N ATOM 289 CA MET C 348 6.289 -8.161 -9.801 1.00 0.00 C ATOM 290 C MET C 348 6.686 -7.117 -10.840 1.00 0.00 C ATOM 291 O MET C 348 6.942 -5.963 -10.500 1.00 0.00 O ATOM 292 CB MET C 348 5.049 -8.921 -10.290 1.00 0.00 C ATOM 293 CG MET C 348 3.777 -8.058 -10.083 1.00 0.00 C ATOM 294 SD MET C 348 2.794 -8.727 -8.717 1.00 0.00 S ATOM 295 CE MET C 348 2.048 -10.093 -9.638 1.00 0.00 C ATOM 0 H MET C 348 6.186 -6.505 -8.515 1.00 0.00 H new ATOM 0 HA MET C 348 7.110 -8.864 -9.661 1.00 0.00 H new ATOM 0 HB2 MET C 348 5.160 -9.172 -11.345 1.00 0.00 H new ATOM 0 HB3 MET C 348 4.952 -9.861 -9.747 1.00 0.00 H new ATOM 0 HG2 MET C 348 4.058 -7.027 -9.870 1.00 0.00 H new ATOM 0 HG3 MET C 348 3.183 -8.044 -10.997 1.00 0.00 H new ATOM 0 HE1 MET C 348 1.308 -10.592 -9.013 1.00 0.00 H new ATOM 0 HE2 MET C 348 1.564 -9.706 -10.535 1.00 0.00 H new ATOM 0 HE3 MET C 348 2.822 -10.806 -9.923 1.00 0.00 H new ATOM 305 N GLN C 349 6.719 -7.532 -12.105 1.00 0.00 N ATOM 306 CA GLN C 349 7.067 -6.634 -13.198 1.00 0.00 C ATOM 307 C GLN C 349 8.518 -6.201 -13.100 1.00 0.00 C ATOM 308 O GLN C 349 9.329 -6.866 -12.454 1.00 0.00 O ATOM 309 CB GLN C 349 6.148 -5.403 -13.184 1.00 0.00 C ATOM 310 CG GLN C 349 4.691 -5.854 -13.004 1.00 0.00 C ATOM 311 CD GLN C 349 4.357 -6.962 -14.002 1.00 0.00 C ATOM 312 OE1 GLN C 349 3.772 -6.701 -15.052 1.00 0.00 O ATOM 313 NE2 GLN C 349 4.721 -8.190 -13.735 1.00 0.00 N ATOM 0 H GLN C 349 6.508 -8.487 -12.396 1.00 0.00 H new ATOM 0 HA GLN C 349 6.931 -7.170 -14.137 1.00 0.00 H new ATOM 0 HB2 GLN C 349 6.435 -4.731 -12.375 1.00 0.00 H new ATOM 0 HB3 GLN C 349 6.255 -4.845 -14.114 1.00 0.00 H new ATOM 0 HG2 GLN C 349 4.536 -6.212 -11.986 1.00 0.00 H new ATOM 0 HG3 GLN C 349 4.020 -5.008 -13.150 1.00 0.00 H new ATOM 0 HE21 GLN C 349 5.206 -8.400 -12.863 1.00 0.00 H new ATOM 0 HE22 GLN C 349 4.520 -8.937 -14.399 1.00 0.00 H new ATOM 322 N ALA C 350 8.848 -5.088 -13.748 1.00 0.00 N ATOM 323 CA ALA C 350 10.217 -4.582 -13.728 1.00 0.00 C ATOM 324 C ALA C 350 10.831 -4.730 -12.338 1.00 0.00 C ATOM 325 O ALA C 350 10.150 -4.568 -11.328 1.00 0.00 O ATOM 326 CB ALA C 350 10.230 -3.108 -14.136 1.00 0.00 C ATOM 0 H ALA C 350 8.193 -4.523 -14.289 1.00 0.00 H new ATOM 0 HA ALA C 350 10.808 -5.165 -14.434 1.00 0.00 H new ATOM 0 HB1 ALA C 350 11.254 -2.735 -14.120 1.00 0.00 H new ATOM 0 HB2 ALA C 350 9.823 -3.005 -15.142 1.00 0.00 H new ATOM 0 HB3 ALA C 350 9.623 -2.532 -13.438 1.00 0.00 H new ATOM 332 N ALA C 351 12.124 -5.045 -12.300 1.00 0.00 N ATOM 333 CA ALA C 351 12.831 -5.215 -11.029 1.00 0.00 C ATOM 334 C ALA C 351 14.298 -4.846 -11.183 1.00 0.00 C ATOM 335 O ALA C 351 15.088 -5.606 -11.737 1.00 0.00 O ATOM 336 CB ALA C 351 12.713 -6.666 -10.568 1.00 0.00 C ATOM 0 H ALA C 351 12.702 -5.187 -13.128 1.00 0.00 H new ATOM 0 HA ALA C 351 12.381 -4.557 -10.286 1.00 0.00 H new ATOM 0 HB1 ALA C 351 13.240 -6.791 -9.622 1.00 0.00 H new ATOM 0 HB2 ALA C 351 11.662 -6.921 -10.435 1.00 0.00 H new ATOM 0 HB3 ALA C 351 13.153 -7.323 -11.318 1.00 0.00 H new ATOM 342 N ARG C 352 14.654 -3.666 -10.693 1.00 0.00 N ATOM 343 CA ARG C 352 16.028 -3.182 -10.773 1.00 0.00 C ATOM 344 C ARG C 352 16.679 -3.265 -9.408 1.00 0.00 C ATOM 345 O ARG C 352 15.992 -3.204 -8.396 1.00 0.00 O ATOM 346 CB ARG C 352 16.055 -1.741 -11.281 1.00 0.00 C ATOM 347 CG ARG C 352 17.508 -1.333 -11.564 1.00 0.00 C ATOM 348 CD ARG C 352 17.530 -0.119 -12.492 1.00 0.00 C ATOM 349 NE ARG C 352 18.900 0.205 -12.865 1.00 0.00 N ATOM 350 CZ ARG C 352 19.201 1.376 -13.410 1.00 0.00 C ATOM 351 NH1 ARG C 352 18.261 2.258 -13.621 1.00 0.00 N ATOM 352 NH2 ARG C 352 20.435 1.647 -13.735 1.00 0.00 N ATOM 0 H ARG C 352 14.008 -3.023 -10.234 1.00 0.00 H new ATOM 0 HA ARG C 352 16.583 -3.807 -11.473 1.00 0.00 H new ATOM 0 HB2 ARG C 352 15.456 -1.651 -12.187 1.00 0.00 H new ATOM 0 HB3 ARG C 352 15.615 -1.073 -10.540 1.00 0.00 H new ATOM 0 HG2 ARG C 352 18.019 -1.098 -10.630 1.00 0.00 H new ATOM 0 HG3 ARG C 352 18.046 -2.163 -12.022 1.00 0.00 H new ATOM 0 HD2 ARG C 352 16.941 -0.325 -13.386 1.00 0.00 H new ATOM 0 HD3 ARG C 352 17.069 0.735 -11.996 1.00 0.00 H new ATOM 0 HE ARG C 352 19.639 -0.479 -12.705 1.00 0.00 H new ATOM 0 HH11 ARG C 352 17.296 2.046 -13.367 1.00 0.00 H new ATOM 0 HH12 ARG C 352 18.492 3.159 -14.040 1.00 0.00 H new ATOM 0 HH21 ARG C 352 21.169 0.958 -13.570 1.00 0.00 H new ATOM 0 HH22 ARG C 352 20.666 2.548 -14.154 1.00 0.00 H new ATOM 366 N LYS C 353 18.003 -3.398 -9.387 1.00 0.00 N ATOM 367 CA LYS C 353 18.741 -3.500 -8.131 1.00 0.00 C ATOM 368 C LYS C 353 19.523 -2.231 -7.835 1.00 0.00 C ATOM 369 O LYS C 353 20.408 -1.837 -8.598 1.00 0.00 O ATOM 370 CB LYS C 353 19.707 -4.685 -8.203 1.00 0.00 C ATOM 371 CG LYS C 353 20.527 -4.766 -6.910 1.00 0.00 C ATOM 372 CD LYS C 353 21.373 -6.037 -6.918 1.00 0.00 C ATOM 373 CE LYS C 353 22.177 -6.121 -5.619 1.00 0.00 C ATOM 374 NZ LYS C 353 22.993 -7.367 -5.620 1.00 0.00 N ATOM 0 H LYS C 353 18.586 -3.438 -10.223 1.00 0.00 H new ATOM 0 HA LYS C 353 18.019 -3.647 -7.328 1.00 0.00 H new ATOM 0 HB2 LYS C 353 19.151 -5.611 -8.350 1.00 0.00 H new ATOM 0 HB3 LYS C 353 20.372 -4.573 -9.060 1.00 0.00 H new ATOM 0 HG2 LYS C 353 21.169 -3.890 -6.820 1.00 0.00 H new ATOM 0 HG3 LYS C 353 19.863 -4.765 -6.046 1.00 0.00 H new ATOM 0 HD2 LYS C 353 20.732 -6.913 -7.019 1.00 0.00 H new ATOM 0 HD3 LYS C 353 22.046 -6.034 -7.775 1.00 0.00 H new ATOM 0 HE2 LYS C 353 22.825 -5.250 -5.523 1.00 0.00 H new ATOM 0 HE3 LYS C 353 21.504 -6.115 -4.761 1.00 0.00 H new ATOM 0 HZ1 LYS C 353 23.540 -7.425 -4.737 1.00 0.00 H new ATOM 0 HZ2 LYS C 353 22.365 -8.193 -5.693 1.00 0.00 H new ATOM 0 HZ3 LYS C 353 23.645 -7.355 -6.431 1.00 0.00 H new ATOM 388 N LEU C 354 19.204 -1.596 -6.713 1.00 0.00 N ATOM 389 CA LEU C 354 19.894 -0.380 -6.326 1.00 0.00 C ATOM 390 C LEU C 354 21.362 -0.675 -6.019 1.00 0.00 C ATOM 391 O LEU C 354 21.717 -1.804 -5.685 1.00 0.00 O ATOM 392 CB LEU C 354 19.226 0.215 -5.076 1.00 0.00 C ATOM 393 CG LEU C 354 17.974 1.007 -5.461 1.00 0.00 C ATOM 394 CD1 LEU C 354 17.041 1.109 -4.242 1.00 0.00 C ATOM 395 CD2 LEU C 354 18.357 2.415 -5.937 1.00 0.00 C ATOM 0 H LEU C 354 18.479 -1.902 -6.064 1.00 0.00 H new ATOM 0 HA LEU C 354 19.839 0.331 -7.151 1.00 0.00 H new ATOM 0 HB2 LEU C 354 18.959 -0.584 -4.384 1.00 0.00 H new ATOM 0 HB3 LEU C 354 19.929 0.866 -4.556 1.00 0.00 H new ATOM 0 HG LEU C 354 17.463 0.491 -6.274 1.00 0.00 H new ATOM 0 HD11 LEU C 354 16.148 1.673 -4.513 1.00 0.00 H new ATOM 0 HD12 LEU C 354 16.754 0.108 -3.919 1.00 0.00 H new ATOM 0 HD13 LEU C 354 17.559 1.618 -3.429 1.00 0.00 H new ATOM 0 HD21 LEU C 354 17.456 2.965 -6.207 1.00 0.00 H new ATOM 0 HD22 LEU C 354 18.877 2.941 -5.136 1.00 0.00 H new ATOM 0 HD23 LEU C 354 19.010 2.340 -6.806 1.00 0.00 H new ATOM 407 N PRO C 355 22.204 0.322 -6.107 1.00 0.00 N ATOM 408 CA PRO C 355 23.658 0.181 -5.808 1.00 0.00 C ATOM 409 C PRO C 355 23.900 -0.158 -4.334 1.00 0.00 C ATOM 410 O PRO C 355 24.934 -0.725 -3.979 1.00 0.00 O ATOM 411 CB PRO C 355 24.243 1.561 -6.167 1.00 0.00 C ATOM 412 CG PRO C 355 23.085 2.508 -6.106 1.00 0.00 C ATOM 413 CD PRO C 355 21.866 1.700 -6.518 1.00 0.00 C ATOM 0 HA PRO C 355 24.121 -0.632 -6.367 1.00 0.00 H new ATOM 0 HB2 PRO C 355 25.026 1.851 -5.466 1.00 0.00 H new ATOM 0 HB3 PRO C 355 24.692 1.552 -7.160 1.00 0.00 H new ATOM 0 HG2 PRO C 355 22.964 2.913 -5.101 1.00 0.00 H new ATOM 0 HG3 PRO C 355 23.237 3.355 -6.775 1.00 0.00 H new ATOM 0 HD2 PRO C 355 20.963 2.056 -6.022 1.00 0.00 H new ATOM 0 HD3 PRO C 355 21.686 1.765 -7.591 1.00 0.00 H new ATOM 421 N CYS C 356 22.937 0.188 -3.484 1.00 0.00 N ATOM 422 CA CYS C 356 23.059 -0.079 -2.057 1.00 0.00 C ATOM 423 C CYS C 356 22.792 -1.547 -1.758 1.00 0.00 C ATOM 424 O CYS C 356 23.505 -2.172 -0.970 1.00 0.00 O ATOM 425 CB CYS C 356 22.080 0.813 -1.268 1.00 0.00 C ATOM 426 SG CYS C 356 20.469 -0.002 -1.070 1.00 0.00 S ATOM 0 H CYS C 356 22.070 0.651 -3.757 1.00 0.00 H new ATOM 0 HA CYS C 356 24.078 0.152 -1.748 1.00 0.00 H new ATOM 0 HB2 CYS C 356 22.499 1.040 -0.288 1.00 0.00 H new ATOM 0 HB3 CYS C 356 21.949 1.763 -1.787 1.00 0.00 H new ATOM 431 N GLY C 357 21.754 -2.091 -2.390 1.00 0.00 N ATOM 432 CA GLY C 357 21.384 -3.494 -2.185 1.00 0.00 C ATOM 433 C GLY C 357 19.880 -3.637 -1.986 1.00 0.00 C ATOM 434 O GLY C 357 19.429 -4.180 -0.978 1.00 0.00 O ATOM 0 H GLY C 357 21.156 -1.587 -3.045 1.00 0.00 H new ATOM 0 HA2 GLY C 357 21.699 -4.086 -3.044 1.00 0.00 H new ATOM 0 HA3 GLY C 357 21.909 -3.889 -1.315 1.00 0.00 H new ATOM 438 N HIS C 358 19.105 -3.169 -2.961 1.00 0.00 N ATOM 439 CA HIS C 358 17.645 -3.261 -2.881 1.00 0.00 C ATOM 440 C HIS C 358 17.053 -3.473 -4.264 1.00 0.00 C ATOM 441 O HIS C 358 17.562 -2.942 -5.242 1.00 0.00 O ATOM 442 CB HIS C 358 17.077 -1.974 -2.259 1.00 0.00 C ATOM 443 CG HIS C 358 17.131 -2.072 -0.763 1.00 0.00 C ATOM 444 ND1 HIS C 358 18.088 -1.410 -0.007 1.00 0.00 N ATOM 445 CD2 HIS C 358 16.355 -2.762 0.130 1.00 0.00 C ATOM 446 CE1 HIS C 358 17.860 -1.721 1.284 1.00 0.00 C ATOM 447 NE2 HIS C 358 16.815 -2.539 1.419 1.00 0.00 N ATOM 0 H HIS C 358 19.457 -2.726 -3.810 1.00 0.00 H new ATOM 0 HA HIS C 358 17.379 -4.112 -2.254 1.00 0.00 H new ATOM 0 HB2 HIS C 358 17.650 -1.111 -2.598 1.00 0.00 H new ATOM 0 HB3 HIS C 358 16.049 -1.823 -2.587 1.00 0.00 H new ATOM 0 HD2 HIS C 358 15.512 -3.385 -0.130 1.00 0.00 H new ATOM 0 HE1 HIS C 358 18.451 -1.353 2.109 1.00 0.00 H new ATOM 0 HE2 HIS C 358 16.435 -2.919 2.286 1.00 0.00 H new ATOM 455 N LEU C 359 15.981 -4.264 -4.336 1.00 0.00 N ATOM 456 CA LEU C 359 15.343 -4.549 -5.623 1.00 0.00 C ATOM 457 C LEU C 359 14.091 -3.718 -5.820 1.00 0.00 C ATOM 458 O LEU C 359 13.092 -3.938 -5.140 1.00 0.00 O ATOM 459 CB LEU C 359 14.953 -6.024 -5.674 1.00 0.00 C ATOM 460 CG LEU C 359 16.178 -6.893 -5.370 1.00 0.00 C ATOM 461 CD1 LEU C 359 15.765 -8.365 -5.333 1.00 0.00 C ATOM 462 CD2 LEU C 359 17.242 -6.682 -6.456 1.00 0.00 C ATOM 0 H LEU C 359 15.542 -4.713 -3.532 1.00 0.00 H new ATOM 0 HA LEU C 359 16.055 -4.303 -6.411 1.00 0.00 H new ATOM 0 HB2 LEU C 359 14.163 -6.226 -4.951 1.00 0.00 H new ATOM 0 HB3 LEU C 359 14.555 -6.271 -6.658 1.00 0.00 H new ATOM 0 HG LEU C 359 16.591 -6.610 -4.402 1.00 0.00 H new ATOM 0 HD11 LEU C 359 16.637 -8.982 -5.117 1.00 0.00 H new ATOM 0 HD12 LEU C 359 15.014 -8.513 -4.557 1.00 0.00 H new ATOM 0 HD13 LEU C 359 15.349 -8.651 -6.299 1.00 0.00 H new ATOM 0 HD21 LEU C 359 18.112 -7.301 -6.238 1.00 0.00 H new ATOM 0 HD22 LEU C 359 16.832 -6.962 -7.426 1.00 0.00 H new ATOM 0 HD23 LEU C 359 17.538 -5.633 -6.476 1.00 0.00 H new ATOM 474 N PHE C 360 14.154 -2.752 -6.757 1.00 0.00 N ATOM 475 CA PHE C 360 13.020 -1.857 -7.048 1.00 0.00 C ATOM 476 C PHE C 360 12.672 -1.910 -8.503 1.00 0.00 C ATOM 477 O PHE C 360 13.534 -2.086 -9.347 1.00 0.00 O ATOM 478 CB PHE C 360 13.407 -0.420 -6.639 1.00 0.00 C ATOM 479 CG PHE C 360 13.308 -0.224 -5.123 1.00 0.00 C ATOM 480 CD1 PHE C 360 12.658 -1.147 -4.273 1.00 0.00 C ATOM 481 CD2 PHE C 360 13.971 0.857 -4.547 1.00 0.00 C ATOM 482 CE1 PHE C 360 12.659 -0.975 -2.911 1.00 0.00 C ATOM 483 CE2 PHE C 360 13.961 1.030 -3.165 1.00 0.00 C ATOM 484 CZ PHE C 360 13.305 0.113 -2.347 1.00 0.00 C ATOM 0 H PHE C 360 14.981 -2.572 -7.326 1.00 0.00 H new ATOM 0 HA PHE C 360 12.145 -2.177 -6.482 1.00 0.00 H new ATOM 0 HB2 PHE C 360 14.424 -0.208 -6.969 1.00 0.00 H new ATOM 0 HB3 PHE C 360 12.753 0.292 -7.143 1.00 0.00 H new ATOM 0 HD1 PHE C 360 12.153 -2.000 -4.701 1.00 0.00 H new ATOM 0 HD2 PHE C 360 14.495 1.563 -5.174 1.00 0.00 H new ATOM 0 HE1 PHE C 360 12.155 -1.690 -2.278 1.00 0.00 H new ATOM 0 HE2 PHE C 360 14.464 1.879 -2.726 1.00 0.00 H new ATOM 0 HZ PHE C 360 13.300 0.250 -1.276 1.00 0.00 H new ATOM 494 N HIS C 361 11.382 -1.766 -8.776 1.00 0.00 N ATOM 495 CA HIS C 361 10.895 -1.817 -10.140 1.00 0.00 C ATOM 496 C HIS C 361 11.320 -0.567 -10.889 1.00 0.00 C ATOM 497 O HIS C 361 11.348 0.517 -10.324 1.00 0.00 O ATOM 498 CB HIS C 361 9.371 -1.942 -10.150 1.00 0.00 C ATOM 499 CG HIS C 361 8.961 -3.126 -9.316 1.00 0.00 C ATOM 500 ND1 HIS C 361 7.632 -3.430 -9.071 1.00 0.00 N ATOM 501 CD2 HIS C 361 9.690 -4.089 -8.663 1.00 0.00 C ATOM 502 CE1 HIS C 361 7.604 -4.533 -8.301 1.00 0.00 C ATOM 503 NE2 HIS C 361 8.829 -4.976 -8.023 1.00 0.00 N ATOM 0 H HIS C 361 10.660 -1.614 -8.072 1.00 0.00 H new ATOM 0 HA HIS C 361 11.322 -2.689 -10.635 1.00 0.00 H new ATOM 0 HB2 HIS C 361 8.918 -1.032 -9.757 1.00 0.00 H new ATOM 0 HB3 HIS C 361 9.012 -2.061 -11.172 1.00 0.00 H new ATOM 0 HD2 HIS C 361 10.768 -4.149 -8.648 1.00 0.00 H new ATOM 0 HE1 HIS C 361 6.697 -5.003 -7.950 1.00 0.00 H new ATOM 0 HE2 HIS C 361 9.082 -5.790 -7.462 1.00 0.00 H new ATOM 511 N ASN C 362 11.664 -0.729 -12.160 1.00 0.00 N ATOM 512 CA ASN C 362 12.107 0.400 -12.971 1.00 0.00 C ATOM 513 C ASN C 362 11.255 1.633 -12.696 1.00 0.00 C ATOM 514 O ASN C 362 11.780 2.710 -12.408 1.00 0.00 O ATOM 515 CB ASN C 362 12.010 0.038 -14.455 1.00 0.00 C ATOM 516 CG ASN C 362 12.496 1.203 -15.309 1.00 0.00 C ATOM 517 OD1 ASN C 362 13.311 2.007 -14.857 1.00 0.00 O ATOM 518 ND2 ASN C 362 12.042 1.344 -16.525 1.00 0.00 N ATOM 0 H ASN C 362 11.646 -1.624 -12.650 1.00 0.00 H new ATOM 0 HA ASN C 362 13.141 0.625 -12.711 1.00 0.00 H new ATOM 0 HB2 ASN C 362 12.609 -0.849 -14.661 1.00 0.00 H new ATOM 0 HB3 ASN C 362 10.979 -0.206 -14.711 1.00 0.00 H new ATOM 0 HD21 ASN C 362 12.363 2.121 -17.102 1.00 0.00 H new ATOM 0 HD22 ASN C 362 11.367 0.677 -16.898 1.00 0.00 H new ATOM 525 N SER C 363 9.942 1.470 -12.776 1.00 0.00 N ATOM 526 CA SER C 363 9.029 2.578 -12.525 1.00 0.00 C ATOM 527 C SER C 363 9.146 3.054 -11.082 1.00 0.00 C ATOM 528 O SER C 363 9.130 4.252 -10.809 1.00 0.00 O ATOM 529 CB SER C 363 7.593 2.144 -12.805 1.00 0.00 C ATOM 530 OG SER C 363 7.417 1.983 -14.206 1.00 0.00 O ATOM 0 H SER C 363 9.487 0.588 -13.011 1.00 0.00 H new ATOM 0 HA SER C 363 9.296 3.400 -13.189 1.00 0.00 H new ATOM 0 HB2 SER C 363 7.376 1.208 -12.290 1.00 0.00 H new ATOM 0 HB3 SER C 363 6.895 2.888 -12.422 1.00 0.00 H new ATOM 0 HG SER C 363 6.496 1.703 -14.390 1.00 0.00 H new ATOM 536 N CYS C 364 9.250 2.108 -10.161 1.00 0.00 N ATOM 537 CA CYS C 364 9.356 2.446 -8.746 1.00 0.00 C ATOM 538 C CYS C 364 10.689 3.106 -8.431 1.00 0.00 C ATOM 539 O CYS C 364 10.740 4.148 -7.774 1.00 0.00 O ATOM 540 CB CYS C 364 9.213 1.184 -7.894 1.00 0.00 C ATOM 541 SG CYS C 364 7.539 0.528 -8.050 1.00 0.00 S ATOM 0 H CYS C 364 9.263 1.108 -10.363 1.00 0.00 H new ATOM 0 HA CYS C 364 8.555 3.148 -8.514 1.00 0.00 H new ATOM 0 HB2 CYS C 364 9.938 0.435 -8.212 1.00 0.00 H new ATOM 0 HB3 CYS C 364 9.428 1.412 -6.850 1.00 0.00 H new ATOM 546 N LEU C 365 11.771 2.493 -8.889 1.00 0.00 N ATOM 547 CA LEU C 365 13.093 3.027 -8.631 1.00 0.00 C ATOM 548 C LEU C 365 13.268 4.387 -9.302 1.00 0.00 C ATOM 549 O LEU C 365 13.735 5.336 -8.682 1.00 0.00 O ATOM 550 CB LEU C 365 14.156 2.037 -9.152 1.00 0.00 C ATOM 551 CG LEU C 365 15.444 2.156 -8.324 1.00 0.00 C ATOM 552 CD1 LEU C 365 16.463 1.110 -8.790 1.00 0.00 C ATOM 553 CD2 LEU C 365 16.028 3.564 -8.465 1.00 0.00 C ATOM 0 H LEU C 365 11.757 1.632 -9.436 1.00 0.00 H new ATOM 0 HA LEU C 365 13.216 3.161 -7.556 1.00 0.00 H new ATOM 0 HB2 LEU C 365 13.772 1.018 -9.097 1.00 0.00 H new ATOM 0 HB3 LEU C 365 14.370 2.241 -10.201 1.00 0.00 H new ATOM 0 HG LEU C 365 15.211 1.977 -7.274 1.00 0.00 H new ATOM 0 HD11 LEU C 365 17.374 1.201 -8.198 1.00 0.00 H new ATOM 0 HD12 LEU C 365 16.044 0.112 -8.661 1.00 0.00 H new ATOM 0 HD13 LEU C 365 16.696 1.273 -9.842 1.00 0.00 H new ATOM 0 HD21 LEU C 365 16.941 3.640 -7.875 1.00 0.00 H new ATOM 0 HD22 LEU C 365 16.256 3.760 -9.513 1.00 0.00 H new ATOM 0 HD23 LEU C 365 15.303 4.296 -8.108 1.00 0.00 H new ATOM 565 N ARG C 366 12.885 4.470 -10.568 1.00 0.00 N ATOM 566 CA ARG C 366 13.012 5.715 -11.308 1.00 0.00 C ATOM 567 C ARG C 366 12.180 6.804 -10.648 1.00 0.00 C ATOM 568 O ARG C 366 12.648 7.923 -10.446 1.00 0.00 O ATOM 569 CB ARG C 366 12.548 5.509 -12.753 1.00 0.00 C ATOM 570 CG ARG C 366 12.777 6.792 -13.554 1.00 0.00 C ATOM 571 CD ARG C 366 12.317 6.585 -14.998 1.00 0.00 C ATOM 572 NE ARG C 366 12.679 7.739 -15.809 1.00 0.00 N ATOM 573 CZ ARG C 366 12.031 8.894 -15.691 1.00 0.00 C ATOM 574 NH1 ARG C 366 11.053 9.009 -14.835 1.00 0.00 N ATOM 575 NH2 ARG C 366 12.373 9.912 -16.432 1.00 0.00 N ATOM 0 H ARG C 366 12.487 3.696 -11.100 1.00 0.00 H new ATOM 0 HA ARG C 366 14.058 6.022 -11.307 1.00 0.00 H new ATOM 0 HB2 ARG C 366 13.095 4.683 -13.207 1.00 0.00 H new ATOM 0 HB3 ARG C 366 11.492 5.240 -12.772 1.00 0.00 H new ATOM 0 HG2 ARG C 366 12.228 7.618 -13.102 1.00 0.00 H new ATOM 0 HG3 ARG C 366 13.833 7.062 -13.533 1.00 0.00 H new ATOM 0 HD2 ARG C 366 12.775 5.685 -15.408 1.00 0.00 H new ATOM 0 HD3 ARG C 366 11.238 6.435 -15.026 1.00 0.00 H new ATOM 0 HE ARG C 366 13.443 7.660 -16.480 1.00 0.00 H new ATOM 0 HH11 ARG C 366 10.786 8.213 -14.256 1.00 0.00 H new ATOM 0 HH12 ARG C 366 10.556 9.895 -14.745 1.00 0.00 H new ATOM 0 HH21 ARG C 366 13.137 9.822 -17.102 1.00 0.00 H new ATOM 0 HH22 ARG C 366 11.876 10.798 -16.342 1.00 0.00 H new ATOM 589 N SER C 367 10.937 6.469 -10.317 1.00 0.00 N ATOM 590 CA SER C 367 10.043 7.432 -9.687 1.00 0.00 C ATOM 591 C SER C 367 10.679 7.986 -8.416 1.00 0.00 C ATOM 592 O SER C 367 10.584 9.183 -8.131 1.00 0.00 O ATOM 593 CB SER C 367 8.714 6.761 -9.337 1.00 0.00 C ATOM 594 OG SER C 367 8.944 5.741 -8.373 1.00 0.00 O ATOM 0 H SER C 367 10.529 5.547 -10.473 1.00 0.00 H new ATOM 0 HA SER C 367 9.864 8.249 -10.386 1.00 0.00 H new ATOM 0 HB2 SER C 367 8.013 7.498 -8.944 1.00 0.00 H new ATOM 0 HB3 SER C 367 8.261 6.336 -10.233 1.00 0.00 H new ATOM 0 HG SER C 367 9.861 5.408 -8.462 1.00 0.00 H new ATOM 600 N TRP C 368 11.323 7.106 -7.654 1.00 0.00 N ATOM 601 CA TRP C 368 11.964 7.519 -6.415 1.00 0.00 C ATOM 602 C TRP C 368 13.095 8.500 -6.696 1.00 0.00 C ATOM 603 O TRP C 368 13.210 9.529 -6.037 1.00 0.00 O ATOM 604 CB TRP C 368 12.521 6.297 -5.683 1.00 0.00 C ATOM 605 CG TRP C 368 12.880 6.676 -4.281 1.00 0.00 C ATOM 606 CD1 TRP C 368 14.139 6.832 -3.811 1.00 0.00 C ATOM 607 CD2 TRP C 368 11.991 6.945 -3.159 1.00 0.00 C ATOM 608 NE1 TRP C 368 14.080 7.179 -2.475 1.00 0.00 N ATOM 609 CE2 TRP C 368 12.777 7.262 -2.025 1.00 0.00 C ATOM 610 CE3 TRP C 368 10.592 6.945 -3.014 1.00 0.00 C ATOM 611 CZ2 TRP C 368 12.196 7.566 -0.794 1.00 0.00 C ATOM 612 CZ3 TRP C 368 10.003 7.250 -1.777 1.00 0.00 C ATOM 613 CH2 TRP C 368 10.804 7.562 -0.669 1.00 0.00 C ATOM 0 H TRP C 368 11.413 6.114 -7.872 1.00 0.00 H new ATOM 0 HA TRP C 368 11.218 8.011 -5.791 1.00 0.00 H new ATOM 0 HB2 TRP C 368 11.782 5.496 -5.677 1.00 0.00 H new ATOM 0 HB3 TRP C 368 13.399 5.917 -6.204 1.00 0.00 H new ATOM 0 HD1 TRP C 368 15.044 6.706 -4.387 1.00 0.00 H new ATOM 0 HE1 TRP C 368 14.899 7.353 -1.892 1.00 0.00 H new ATOM 0 HE3 TRP C 368 9.966 6.708 -3.861 1.00 0.00 H new ATOM 0 HZ2 TRP C 368 12.818 7.803 0.057 1.00 0.00 H new ATOM 0 HZ3 TRP C 368 8.928 7.244 -1.678 1.00 0.00 H new ATOM 0 HH2 TRP C 368 10.346 7.799 0.280 1.00 0.00 H new ATOM 624 N LEU C 369 13.925 8.176 -7.679 1.00 0.00 N ATOM 625 CA LEU C 369 15.051 9.043 -8.030 1.00 0.00 C ATOM 626 C LEU C 369 14.559 10.387 -8.540 1.00 0.00 C ATOM 627 O LEU C 369 15.167 11.423 -8.271 1.00 0.00 O ATOM 628 CB LEU C 369 15.920 8.368 -9.094 1.00 0.00 C ATOM 629 CG LEU C 369 16.498 7.060 -8.536 1.00 0.00 C ATOM 630 CD1 LEU C 369 17.304 6.352 -9.630 1.00 0.00 C ATOM 631 CD2 LEU C 369 17.403 7.338 -7.330 1.00 0.00 C ATOM 0 H LEU C 369 13.845 7.330 -8.244 1.00 0.00 H new ATOM 0 HA LEU C 369 15.647 9.212 -7.133 1.00 0.00 H new ATOM 0 HB2 LEU C 369 15.327 8.164 -9.986 1.00 0.00 H new ATOM 0 HB3 LEU C 369 16.728 9.035 -9.394 1.00 0.00 H new ATOM 0 HG LEU C 369 15.674 6.424 -8.212 1.00 0.00 H new ATOM 0 HD11 LEU C 369 17.715 5.423 -9.235 1.00 0.00 H new ATOM 0 HD12 LEU C 369 16.653 6.130 -10.476 1.00 0.00 H new ATOM 0 HD13 LEU C 369 18.118 6.998 -9.958 1.00 0.00 H new ATOM 0 HD21 LEU C 369 17.802 6.398 -6.950 1.00 0.00 H new ATOM 0 HD22 LEU C 369 18.226 7.985 -7.634 1.00 0.00 H new ATOM 0 HD23 LEU C 369 16.825 7.830 -6.547 1.00 0.00 H new ATOM 643 N GLU C 370 13.455 10.365 -9.269 1.00 0.00 N ATOM 644 CA GLU C 370 12.885 11.591 -9.809 1.00 0.00 C ATOM 645 C GLU C 370 12.388 12.488 -8.682 1.00 0.00 C ATOM 646 O GLU C 370 12.442 13.713 -8.787 1.00 0.00 O ATOM 647 CB GLU C 370 11.726 11.257 -10.747 1.00 0.00 C ATOM 648 CG GLU C 370 12.272 10.625 -12.028 1.00 0.00 C ATOM 649 CD GLU C 370 13.003 11.678 -12.856 1.00 0.00 C ATOM 650 OE1 GLU C 370 12.351 12.333 -13.652 1.00 0.00 O ATOM 651 OE2 GLU C 370 14.203 11.813 -12.681 1.00 0.00 O ATOM 0 H GLU C 370 12.937 9.517 -9.500 1.00 0.00 H new ATOM 0 HA GLU C 370 13.660 12.119 -10.364 1.00 0.00 H new ATOM 0 HB2 GLU C 370 11.034 10.572 -10.257 1.00 0.00 H new ATOM 0 HB3 GLU C 370 11.165 12.161 -10.985 1.00 0.00 H new ATOM 0 HG2 GLU C 370 12.951 9.809 -11.780 1.00 0.00 H new ATOM 0 HG3 GLU C 370 11.456 10.196 -12.609 1.00 0.00 H new ATOM 658 N GLN C 371 11.903 11.873 -7.606 1.00 0.00 N ATOM 659 CA GLN C 371 11.398 12.631 -6.462 1.00 0.00 C ATOM 660 C GLN C 371 12.501 12.858 -5.434 1.00 0.00 C ATOM 661 O GLN C 371 12.787 13.991 -5.055 1.00 0.00 O ATOM 662 CB GLN C 371 10.237 11.879 -5.811 1.00 0.00 C ATOM 663 CG GLN C 371 9.659 12.719 -4.670 1.00 0.00 C ATOM 664 CD GLN C 371 8.450 12.015 -4.065 1.00 0.00 C ATOM 665 OE1 GLN C 371 7.882 11.113 -4.682 1.00 0.00 O ATOM 666 NE2 GLN C 371 8.022 12.372 -2.885 1.00 0.00 N ATOM 0 H GLN C 371 11.849 10.860 -7.501 1.00 0.00 H new ATOM 0 HA GLN C 371 11.050 13.600 -6.819 1.00 0.00 H new ATOM 0 HB2 GLN C 371 9.464 11.671 -6.551 1.00 0.00 H new ATOM 0 HB3 GLN C 371 10.581 10.917 -5.430 1.00 0.00 H new ATOM 0 HG2 GLN C 371 10.418 12.879 -3.904 1.00 0.00 H new ATOM 0 HG3 GLN C 371 9.370 13.702 -5.042 1.00 0.00 H new ATOM 0 HE21 GLN C 371 8.494 13.119 -2.376 1.00 0.00 H new ATOM 0 HE22 GLN C 371 7.216 11.904 -2.472 1.00 0.00 H new ATOM 675 N ASP C 372 13.115 11.769 -4.982 1.00 0.00 N ATOM 676 CA ASP C 372 14.186 11.847 -3.987 1.00 0.00 C ATOM 677 C ASP C 372 15.293 10.846 -4.303 1.00 0.00 C ATOM 678 O ASP C 372 15.027 9.681 -4.584 1.00 0.00 O ATOM 679 CB ASP C 372 13.624 11.560 -2.597 1.00 0.00 C ATOM 680 CG ASP C 372 14.650 11.935 -1.534 1.00 0.00 C ATOM 681 OD1 ASP C 372 15.608 12.611 -1.878 1.00 0.00 O ATOM 682 OD2 ASP C 372 14.466 11.543 -0.395 1.00 0.00 O ATOM 0 H ASP C 372 12.892 10.822 -5.287 1.00 0.00 H new ATOM 0 HA ASP C 372 14.605 12.853 -4.014 1.00 0.00 H new ATOM 0 HB2 ASP C 372 12.705 12.126 -2.443 1.00 0.00 H new ATOM 0 HB3 ASP C 372 13.367 10.504 -2.510 1.00 0.00 H new ATOM 687 N THR C 373 16.537 11.308 -4.255 1.00 0.00 N ATOM 688 CA THR C 373 17.684 10.449 -4.535 1.00 0.00 C ATOM 689 C THR C 373 18.278 9.921 -3.240 1.00 0.00 C ATOM 690 O THR C 373 19.357 10.337 -2.825 1.00 0.00 O ATOM 691 CB THR C 373 18.746 11.236 -5.302 1.00 0.00 C ATOM 692 OG1 THR C 373 18.965 12.486 -4.664 1.00 0.00 O ATOM 693 CG2 THR C 373 18.272 11.470 -6.738 1.00 0.00 C ATOM 0 H THR C 373 16.778 12.272 -4.025 1.00 0.00 H new ATOM 0 HA THR C 373 17.349 9.606 -5.140 1.00 0.00 H new ATOM 0 HB THR C 373 19.677 10.669 -5.316 1.00 0.00 H new ATOM 0 HG1 THR C 373 19.295 12.335 -3.754 1.00 0.00 H new ATOM 0 HG21 THR C 373 19.030 12.031 -7.284 1.00 0.00 H new ATOM 0 HG22 THR C 373 18.108 10.510 -7.228 1.00 0.00 H new ATOM 0 HG23 THR C 373 17.340 12.035 -6.726 1.00 0.00 H new ATOM 701 N SER C 374 17.565 8.999 -2.604 1.00 0.00 N ATOM 702 CA SER C 374 18.035 8.409 -1.353 1.00 0.00 C ATOM 703 C SER C 374 17.472 7.012 -1.174 1.00 0.00 C ATOM 704 O SER C 374 16.460 6.666 -1.786 1.00 0.00 O ATOM 705 CB SER C 374 17.627 9.285 -0.170 1.00 0.00 C ATOM 706 OG SER C 374 16.294 8.967 0.213 1.00 0.00 O ATOM 0 H SER C 374 16.666 8.645 -2.930 1.00 0.00 H new ATOM 0 HA SER C 374 19.122 8.345 -1.394 1.00 0.00 H new ATOM 0 HB2 SER C 374 18.306 9.125 0.667 1.00 0.00 H new ATOM 0 HB3 SER C 374 17.698 10.338 -0.441 1.00 0.00 H new ATOM 0 HG SER C 374 15.715 9.741 0.055 1.00 0.00 H new ATOM 712 N CYS C 375 18.139 6.211 -0.333 1.00 0.00 N ATOM 713 CA CYS C 375 17.700 4.848 -0.088 1.00 0.00 C ATOM 714 C CYS C 375 16.553 4.816 0.935 1.00 0.00 C ATOM 715 O CYS C 375 16.745 5.164 2.095 1.00 0.00 O ATOM 716 CB CYS C 375 18.856 4.003 0.412 1.00 0.00 C ATOM 717 SG CYS C 375 18.247 2.329 0.722 1.00 0.00 S ATOM 0 H CYS C 375 18.976 6.488 0.181 1.00 0.00 H new ATOM 0 HA CYS C 375 17.337 4.437 -1.030 1.00 0.00 H new ATOM 0 HB2 CYS C 375 19.659 3.984 -0.325 1.00 0.00 H new ATOM 0 HB3 CYS C 375 19.271 4.431 1.325 1.00 0.00 H new ATOM 722 N PRO C 376 15.367 4.412 0.542 1.00 0.00 N ATOM 723 CA PRO C 376 14.190 4.351 1.468 1.00 0.00 C ATOM 724 C PRO C 376 14.473 3.525 2.723 1.00 0.00 C ATOM 725 O PRO C 376 13.853 3.731 3.765 1.00 0.00 O ATOM 726 CB PRO C 376 13.097 3.675 0.619 1.00 0.00 C ATOM 727 CG PRO C 376 13.491 3.916 -0.793 1.00 0.00 C ATOM 728 CD PRO C 376 15.008 3.971 -0.810 1.00 0.00 C ATOM 0 HA PRO C 376 13.915 5.340 1.835 1.00 0.00 H new ATOM 0 HB2 PRO C 376 13.036 2.608 0.834 1.00 0.00 H new ATOM 0 HB3 PRO C 376 12.116 4.099 0.831 1.00 0.00 H new ATOM 0 HG2 PRO C 376 13.124 3.120 -1.440 1.00 0.00 H new ATOM 0 HG3 PRO C 376 13.064 4.849 -1.162 1.00 0.00 H new ATOM 0 HD2 PRO C 376 15.439 2.996 -1.039 1.00 0.00 H new ATOM 0 HD3 PRO C 376 15.373 4.666 -1.566 1.00 0.00 H new ATOM 736 N THR C 377 15.408 2.586 2.611 1.00 0.00 N ATOM 737 CA THR C 377 15.761 1.719 3.738 1.00 0.00 C ATOM 738 C THR C 377 17.069 2.157 4.377 1.00 0.00 C ATOM 739 O THR C 377 17.093 2.587 5.530 1.00 0.00 O ATOM 740 CB THR C 377 15.876 0.270 3.254 1.00 0.00 C ATOM 741 OG1 THR C 377 14.596 -0.189 2.834 1.00 0.00 O ATOM 742 CG2 THR C 377 16.389 -0.612 4.394 1.00 0.00 C ATOM 0 H THR C 377 15.935 2.404 1.757 1.00 0.00 H new ATOM 0 HA THR C 377 14.975 1.794 4.490 1.00 0.00 H new ATOM 0 HB THR C 377 16.574 0.219 2.418 1.00 0.00 H new ATOM 0 HG1 THR C 377 14.667 -1.115 2.522 1.00 0.00 H new ATOM 0 HG21 THR C 377 16.470 -1.643 4.048 1.00 0.00 H new ATOM 0 HG22 THR C 377 17.369 -0.258 4.715 1.00 0.00 H new ATOM 0 HG23 THR C 377 15.694 -0.564 5.232 1.00 0.00 H new ATOM 750 N CYS C 378 18.154 2.027 3.629 1.00 0.00 N ATOM 751 CA CYS C 378 19.465 2.395 4.140 1.00 0.00 C ATOM 752 C CYS C 378 19.517 3.879 4.481 1.00 0.00 C ATOM 753 O CYS C 378 20.390 4.316 5.228 1.00 0.00 O ATOM 754 CB CYS C 378 20.551 2.076 3.109 1.00 0.00 C ATOM 755 SG CYS C 378 20.431 0.342 2.613 1.00 0.00 S ATOM 0 H CYS C 378 18.153 1.672 2.673 1.00 0.00 H new ATOM 0 HA CYS C 378 19.644 1.815 5.046 1.00 0.00 H new ATOM 0 HB2 CYS C 378 20.440 2.722 2.238 1.00 0.00 H new ATOM 0 HB3 CYS C 378 21.536 2.276 3.531 1.00 0.00 H new ATOM 760 N ARG C 379 18.581 4.644 3.922 1.00 0.00 N ATOM 761 CA ARG C 379 18.533 6.085 4.169 1.00 0.00 C ATOM 762 C ARG C 379 19.831 6.745 3.735 1.00 0.00 C ATOM 763 O ARG C 379 20.140 7.855 4.159 1.00 0.00 O ATOM 764 CB ARG C 379 18.285 6.359 5.653 1.00 0.00 C ATOM 765 CG ARG C 379 16.867 5.927 6.024 1.00 0.00 C ATOM 766 CD ARG C 379 16.666 6.092 7.531 1.00 0.00 C ATOM 767 NE ARG C 379 16.749 7.501 7.896 1.00 0.00 N ATOM 768 CZ ARG C 379 16.749 7.880 9.169 1.00 0.00 C ATOM 769 NH1 ARG C 379 16.679 6.986 10.117 1.00 0.00 N ATOM 770 NH2 ARG C 379 16.822 9.148 9.473 1.00 0.00 N ATOM 0 H ARG C 379 17.852 4.295 3.300 1.00 0.00 H new ATOM 0 HA ARG C 379 17.714 6.505 3.586 1.00 0.00 H new ATOM 0 HB2 ARG C 379 19.011 5.818 6.259 1.00 0.00 H new ATOM 0 HB3 ARG C 379 18.420 7.420 5.865 1.00 0.00 H new ATOM 0 HG2 ARG C 379 16.138 6.528 5.480 1.00 0.00 H new ATOM 0 HG3 ARG C 379 16.704 4.889 5.735 1.00 0.00 H new ATOM 0 HD2 ARG C 379 15.696 5.689 7.823 1.00 0.00 H new ATOM 0 HD3 ARG C 379 17.423 5.523 8.071 1.00 0.00 H new ATOM 0 HE ARG C 379 16.808 8.207 7.162 1.00 0.00 H new ATOM 0 HH11 ARG C 379 16.624 5.995 9.881 1.00 0.00 H new ATOM 0 HH12 ARG C 379 16.679 7.278 11.094 1.00 0.00 H new ATOM 0 HH21 ARG C 379 16.879 9.847 8.733 1.00 0.00 H new ATOM 0 HH22 ARG C 379 16.822 9.439 10.451 1.00 0.00 H new ATOM 784 N MET C 380 20.584 6.055 2.883 1.00 0.00 N ATOM 785 CA MET C 380 21.854 6.580 2.383 1.00 0.00 C ATOM 786 C MET C 380 21.740 7.001 0.922 1.00 0.00 C ATOM 787 O MET C 380 21.108 6.321 0.116 1.00 0.00 O ATOM 788 CB MET C 380 22.945 5.516 2.532 1.00 0.00 C ATOM 789 CG MET C 380 23.372 5.415 4.002 1.00 0.00 C ATOM 790 SD MET C 380 24.618 4.116 4.181 1.00 0.00 S ATOM 791 CE MET C 380 24.645 4.078 5.991 1.00 0.00 C ATOM 0 H MET C 380 20.339 5.132 2.524 1.00 0.00 H new ATOM 0 HA MET C 380 22.115 7.460 2.970 1.00 0.00 H new ATOM 0 HB2 MET C 380 22.576 4.551 2.184 1.00 0.00 H new ATOM 0 HB3 MET C 380 23.803 5.772 1.911 1.00 0.00 H new ATOM 0 HG2 MET C 380 23.775 6.369 4.341 1.00 0.00 H new ATOM 0 HG3 MET C 380 22.508 5.193 4.628 1.00 0.00 H new ATOM 0 HE1 MET C 380 25.362 3.329 6.329 1.00 0.00 H new ATOM 0 HE2 MET C 380 24.937 5.057 6.371 1.00 0.00 H new ATOM 0 HE3 MET C 380 23.653 3.825 6.364 1.00 0.00 H new ATOM 801 N SER C 381 22.370 8.122 0.589 1.00 0.00 N ATOM 802 CA SER C 381 22.350 8.617 -0.780 1.00 0.00 C ATOM 803 C SER C 381 23.299 7.798 -1.647 1.00 0.00 C ATOM 804 O SER C 381 24.461 7.602 -1.297 1.00 0.00 O ATOM 805 CB SER C 381 22.763 10.091 -0.813 1.00 0.00 C ATOM 806 OG SER C 381 21.674 10.890 -0.368 1.00 0.00 O ATOM 0 H SER C 381 22.897 8.700 1.243 1.00 0.00 H new ATOM 0 HA SER C 381 21.337 8.522 -1.171 1.00 0.00 H new ATOM 0 HB2 SER C 381 23.633 10.252 -0.176 1.00 0.00 H new ATOM 0 HB3 SER C 381 23.051 10.378 -1.824 1.00 0.00 H new ATOM 0 HG SER C 381 21.933 11.835 -0.385 1.00 0.00 H new ATOM 812 N LEU C 382 22.797 7.324 -2.783 1.00 0.00 N ATOM 813 CA LEU C 382 23.613 6.526 -3.694 1.00 0.00 C ATOM 814 C LEU C 382 24.382 7.435 -4.647 1.00 0.00 C ATOM 815 O LEU C 382 23.840 8.407 -5.172 1.00 0.00 O ATOM 816 CB LEU C 382 22.721 5.584 -4.503 1.00 0.00 C ATOM 817 CG LEU C 382 21.487 6.360 -5.039 1.00 0.00 C ATOM 818 CD1 LEU C 382 21.166 5.905 -6.467 1.00 0.00 C ATOM 819 CD2 LEU C 382 20.275 6.094 -4.136 1.00 0.00 C ATOM 0 H LEU C 382 21.837 7.476 -3.094 1.00 0.00 H new ATOM 0 HA LEU C 382 24.321 5.942 -3.106 1.00 0.00 H new ATOM 0 HB2 LEU C 382 23.284 5.159 -5.334 1.00 0.00 H new ATOM 0 HB3 LEU C 382 22.396 4.751 -3.879 1.00 0.00 H new ATOM 0 HG LEU C 382 21.712 7.427 -5.041 1.00 0.00 H new ATOM 0 HD11 LEU C 382 20.300 6.453 -6.837 1.00 0.00 H new ATOM 0 HD12 LEU C 382 22.022 6.101 -7.112 1.00 0.00 H new ATOM 0 HD13 LEU C 382 20.948 4.837 -6.468 1.00 0.00 H new ATOM 0 HD21 LEU C 382 19.412 6.640 -4.516 1.00 0.00 H new ATOM 0 HD22 LEU C 382 20.054 5.027 -4.128 1.00 0.00 H new ATOM 0 HD23 LEU C 382 20.497 6.426 -3.122 1.00 0.00 H new ATOM 831 N ASN C 383 25.651 7.108 -4.868 1.00 0.00 N ATOM 832 CA ASN C 383 26.492 7.901 -5.761 1.00 0.00 C ATOM 833 C ASN C 383 26.310 7.453 -7.206 1.00 0.00 C ATOM 834 O ASN C 383 26.766 6.377 -7.597 1.00 0.00 O ATOM 835 CB ASN C 383 27.960 7.747 -5.358 1.00 0.00 C ATOM 836 CG ASN C 383 28.177 8.300 -3.955 1.00 0.00 C ATOM 837 OD1 ASN C 383 27.780 9.429 -3.662 1.00 0.00 O ATOM 838 ND2 ASN C 383 28.787 7.570 -3.062 1.00 0.00 N ATOM 0 H ASN C 383 26.118 6.306 -4.445 1.00 0.00 H new ATOM 0 HA ASN C 383 26.197 8.947 -5.679 1.00 0.00 H new ATOM 0 HB2 ASN C 383 28.246 6.696 -5.392 1.00 0.00 H new ATOM 0 HB3 ASN C 383 28.598 8.274 -6.068 1.00 0.00 H new ATOM 0 HD21 ASN C 383 28.935 7.934 -2.121 1.00 0.00 H new ATOM 0 HD22 ASN C 383 29.115 6.635 -3.305 1.00 0.00 H new ATOM 845 N ILE C 384 25.641 8.285 -7.998 1.00 0.00 N ATOM 846 CA ILE C 384 25.406 7.969 -9.401 1.00 0.00 C ATOM 847 C ILE C 384 26.679 8.171 -10.217 1.00 0.00 C ATOM 848 O ILE C 384 27.566 8.854 -9.735 1.00 0.00 O ATOM 849 CB ILE C 384 24.291 8.858 -9.956 1.00 0.00 C ATOM 850 CG1 ILE C 384 24.648 10.330 -9.726 1.00 0.00 C ATOM 851 CG2 ILE C 384 22.977 8.536 -9.243 1.00 0.00 C ATOM 852 CD1 ILE C 384 23.616 11.221 -10.417 1.00 0.00 C ATOM 0 H ILE C 384 25.254 9.178 -7.694 1.00 0.00 H new ATOM 0 HA ILE C 384 25.106 6.924 -9.474 1.00 0.00 H new ATOM 0 HB ILE C 384 24.179 8.673 -11.024 1.00 0.00 H new ATOM 0 HG12 ILE C 384 24.673 10.546 -8.658 1.00 0.00 H new ATOM 0 HG13 ILE C 384 25.644 10.539 -10.117 1.00 0.00 H new ATOM 0 HG21 ILE C 384 22.183 9.170 -9.639 1.00 0.00 H new ATOM 0 HG22 ILE C 384 22.721 7.489 -9.407 1.00 0.00 H new ATOM 0 HG23 ILE C 384 23.089 8.719 -8.174 1.00 0.00 H new ATOM 0 HD11 ILE C 384 23.871 12.268 -10.253 1.00 0.00 H new ATOM 0 HD12 ILE C 384 23.613 11.012 -11.487 1.00 0.00 H new ATOM 0 HD13 ILE C 384 22.627 11.019 -10.005 1.00 0.00 H new TER 864 ILE C 384 HETATM 865 ZN ZN C 900 7.488 -1.812 -7.838 1.00 0.00 ZN HETATM 866 ZN ZN C 901 19.046 0.318 0.709 1.00 0.00 ZN