USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=10 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 180:sc= 0 USER MOD Single : C 337 ASN : amide:sc= -2.32! C(o=-2.3!,f=-5.1!) USER MOD Single : C 338 ASN : amide:sc= -2.27 K(o=-2.3,f=-5.7!) 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= -0.252 X(o=-0.25,f=-0.36) USER MOD Single : C 353 LYS NZ :NH3+ 168:sc= -0.838 (180deg=-1.06) USER MOD Single : C 361 HIS : no HD1:sc= -3.8! K(o=-3.8!,f=-2.2) USER MOD Single : C 362 ASN : amide:sc= -1.8! C(o=-1.8!,f=-4.4!) USER MOD Single : C 363 SER OG : rot 180:sc= 0 USER MOD Single : C 367 SER OG : rot -27:sc= 0.677 USER MOD Single : C 371 GLN : amide:sc= -0.0214 K(o=-0.021,f=-1.7!) USER MOD Single : C 373 THR OG1 : rot -94:sc= -0.542! USER MOD Single : C 374 SER OG : rot 180:sc= 0 USER MOD Single : C 377 THR OG1 : rot 172:sc= 0 USER MOD Single : C 380 MET CE :methyl 155:sc= -0.202 (180deg=-1.24) USER MOD Single : C 381 SER OG : rot 6:sc= 0.984 USER MOD Single : C 383 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA C 327 16.237 0.499 -17.006 1.00 0.00 N ATOM 2 CA ALA C 327 17.531 -0.211 -17.208 1.00 0.00 C ATOM 3 C ALA C 327 17.578 -1.436 -16.306 1.00 0.00 C ATOM 4 O ALA C 327 18.152 -1.396 -15.222 1.00 0.00 O ATOM 5 CB ALA C 327 18.686 0.730 -16.863 1.00 0.00 C ATOM 0 HA ALA C 327 17.621 -0.524 -18.248 1.00 0.00 H new ATOM 0 HB1 ALA C 327 19.634 0.212 -17.010 1.00 0.00 H new ATOM 0 HB2 ALA C 327 18.647 1.606 -17.510 1.00 0.00 H new ATOM 0 HB3 ALA C 327 18.602 1.043 -15.822 1.00 0.00 H new ATOM 11 N VAL C 328 16.971 -2.529 -16.763 1.00 0.00 N ATOM 12 CA VAL C 328 16.950 -3.769 -15.984 1.00 0.00 C ATOM 13 C VAL C 328 17.922 -4.779 -16.573 1.00 0.00 C ATOM 14 O VAL C 328 17.662 -5.370 -17.622 1.00 0.00 O ATOM 15 CB VAL C 328 15.537 -4.359 -15.987 1.00 0.00 C ATOM 16 CG1 VAL C 328 15.535 -5.684 -15.215 1.00 0.00 C ATOM 17 CG2 VAL C 328 14.573 -3.369 -15.321 1.00 0.00 C ATOM 0 H VAL C 328 16.490 -2.584 -17.661 1.00 0.00 H new ATOM 0 HA VAL C 328 17.249 -3.544 -14.960 1.00 0.00 H new ATOM 0 HB VAL C 328 15.217 -4.541 -17.013 1.00 0.00 H new ATOM 0 HG11 VAL C 328 14.529 -6.105 -15.217 1.00 0.00 H new ATOM 0 HG12 VAL C 328 16.222 -6.384 -15.691 1.00 0.00 H new ATOM 0 HG13 VAL C 328 15.852 -5.507 -14.187 1.00 0.00 H new ATOM 0 HG21 VAL C 328 13.566 -3.786 -15.321 1.00 0.00 H new ATOM 0 HG22 VAL C 328 14.890 -3.187 -14.294 1.00 0.00 H new ATOM 0 HG23 VAL C 328 14.577 -2.430 -15.874 1.00 0.00 H new ATOM 27 N ALA C 329 19.044 -4.980 -15.888 1.00 0.00 N ATOM 28 CA ALA C 329 20.056 -5.928 -16.348 1.00 0.00 C ATOM 29 C ALA C 329 19.817 -7.292 -15.724 1.00 0.00 C ATOM 30 O ALA C 329 20.415 -8.291 -16.136 1.00 0.00 O ATOM 31 CB ALA C 329 21.451 -5.431 -15.968 1.00 0.00 C ATOM 0 H ALA C 329 19.276 -4.502 -15.017 1.00 0.00 H new ATOM 0 HA ALA C 329 19.987 -6.013 -17.432 1.00 0.00 H new ATOM 0 HB1 ALA C 329 22.198 -6.144 -16.315 1.00 0.00 H new ATOM 0 HB2 ALA C 329 21.631 -4.462 -16.433 1.00 0.00 H new ATOM 0 HB3 ALA C 329 21.519 -5.332 -14.885 1.00 0.00 H new ATOM 37 N THR C 330 18.946 -7.332 -14.718 1.00 0.00 N ATOM 38 CA THR C 330 18.649 -8.585 -14.039 1.00 0.00 C ATOM 39 C THR C 330 17.563 -9.365 -14.790 1.00 0.00 C ATOM 40 O THR C 330 16.622 -8.774 -15.319 1.00 0.00 O ATOM 41 CB THR C 330 18.177 -8.318 -12.607 1.00 0.00 C ATOM 42 OG1 THR C 330 16.773 -8.103 -12.602 1.00 0.00 O ATOM 43 CG2 THR C 330 18.891 -7.083 -12.064 1.00 0.00 C ATOM 0 H THR C 330 18.441 -6.521 -14.361 1.00 0.00 H new ATOM 0 HA THR C 330 19.564 -9.178 -14.015 1.00 0.00 H new ATOM 0 HB THR C 330 18.409 -9.177 -11.978 1.00 0.00 H new ATOM 0 HG1 THR C 330 16.471 -7.934 -11.685 1.00 0.00 H new ATOM 0 HG21 THR C 330 18.558 -6.889 -11.044 1.00 0.00 H new ATOM 0 HG22 THR C 330 19.967 -7.254 -12.068 1.00 0.00 H new ATOM 0 HG23 THR C 330 18.658 -6.223 -12.692 1.00 0.00 H new ATOM 51 N PRO C 331 17.667 -10.673 -14.837 1.00 0.00 N ATOM 52 CA PRO C 331 16.662 -11.537 -15.527 1.00 0.00 C ATOM 53 C PRO C 331 15.358 -11.652 -14.741 1.00 0.00 C ATOM 54 O PRO C 331 15.329 -11.430 -13.529 1.00 0.00 O ATOM 55 CB PRO C 331 17.368 -12.901 -15.620 1.00 0.00 C ATOM 56 CG PRO C 331 18.281 -12.921 -14.438 1.00 0.00 C ATOM 57 CD PRO C 331 18.746 -11.487 -14.237 1.00 0.00 C ATOM 0 HA PRO C 331 16.369 -11.132 -16.495 1.00 0.00 H new ATOM 0 HB2 PRO C 331 16.653 -13.723 -15.585 1.00 0.00 H new ATOM 0 HB3 PRO C 331 17.922 -13.000 -16.553 1.00 0.00 H new ATOM 0 HG2 PRO C 331 17.763 -13.290 -13.553 1.00 0.00 H new ATOM 0 HG3 PRO C 331 19.128 -13.584 -14.612 1.00 0.00 H new ATOM 0 HD2 PRO C 331 18.880 -11.255 -13.180 1.00 0.00 H new ATOM 0 HD3 PRO C 331 19.703 -11.305 -14.727 1.00 0.00 H new ATOM 65 N GLU C 332 14.290 -12.022 -15.436 1.00 0.00 N ATOM 66 CA GLU C 332 12.994 -12.190 -14.793 1.00 0.00 C ATOM 67 C GLU C 332 13.099 -13.233 -13.682 1.00 0.00 C ATOM 68 O GLU C 332 12.275 -13.261 -12.775 1.00 0.00 O ATOM 69 CB GLU C 332 11.956 -12.636 -15.820 1.00 0.00 C ATOM 70 CG GLU C 332 11.777 -11.543 -16.874 1.00 0.00 C ATOM 71 CD GLU C 332 11.183 -10.290 -16.237 1.00 0.00 C ATOM 72 OE1 GLU C 332 10.616 -10.412 -15.163 1.00 0.00 O ATOM 73 OE2 GLU C 332 11.310 -9.231 -16.827 1.00 0.00 O ATOM 0 H GLU C 332 14.295 -12.210 -16.438 1.00 0.00 H new ATOM 0 HA GLU C 332 12.685 -11.237 -14.364 1.00 0.00 H new ATOM 0 HB2 GLU C 332 12.274 -13.564 -16.294 1.00 0.00 H new ATOM 0 HB3 GLU C 332 11.005 -12.839 -15.327 1.00 0.00 H new ATOM 0 HG2 GLU C 332 12.738 -11.307 -17.331 1.00 0.00 H new ATOM 0 HG3 GLU C 332 11.124 -11.899 -17.671 1.00 0.00 H new ATOM 80 N GLU C 333 14.116 -14.086 -13.766 1.00 0.00 N ATOM 81 CA GLU C 333 14.312 -15.120 -12.758 1.00 0.00 C ATOM 82 C GLU C 333 14.346 -14.505 -11.365 1.00 0.00 C ATOM 83 O GLU C 333 13.641 -14.956 -10.461 1.00 0.00 O ATOM 84 CB GLU C 333 15.632 -15.856 -13.026 1.00 0.00 C ATOM 85 CG GLU C 333 15.466 -16.786 -14.228 1.00 0.00 C ATOM 86 CD GLU C 333 16.785 -17.486 -14.530 1.00 0.00 C ATOM 87 OE1 GLU C 333 17.755 -17.203 -13.846 1.00 0.00 O ATOM 88 OE2 GLU C 333 16.808 -18.298 -15.442 1.00 0.00 O ATOM 0 H GLU C 333 14.810 -14.082 -14.514 1.00 0.00 H new ATOM 0 HA GLU C 333 13.481 -15.824 -12.812 1.00 0.00 H new ATOM 0 HB2 GLU C 333 16.429 -15.137 -13.217 1.00 0.00 H new ATOM 0 HB3 GLU C 333 15.925 -16.430 -12.147 1.00 0.00 H new ATOM 0 HG2 GLU C 333 14.691 -17.525 -14.023 1.00 0.00 H new ATOM 0 HG3 GLU C 333 15.140 -16.215 -15.098 1.00 0.00 H new ATOM 95 N LEU C 334 15.166 -13.480 -11.200 1.00 0.00 N ATOM 96 CA LEU C 334 15.275 -12.813 -9.910 1.00 0.00 C ATOM 97 C LEU C 334 13.983 -12.091 -9.552 1.00 0.00 C ATOM 98 O LEU C 334 13.512 -12.159 -8.416 1.00 0.00 O ATOM 99 CB LEU C 334 16.437 -11.810 -9.933 1.00 0.00 C ATOM 100 CG LEU C 334 16.469 -11.010 -8.620 1.00 0.00 C ATOM 101 CD1 LEU C 334 16.574 -11.972 -7.430 1.00 0.00 C ATOM 102 CD2 LEU C 334 17.675 -10.070 -8.628 1.00 0.00 C ATOM 0 H LEU C 334 15.761 -13.094 -11.933 1.00 0.00 H new ATOM 0 HA LEU C 334 15.464 -13.574 -9.153 1.00 0.00 H new ATOM 0 HB2 LEU C 334 17.381 -12.338 -10.070 1.00 0.00 H new ATOM 0 HB3 LEU C 334 16.326 -11.132 -10.779 1.00 0.00 H new ATOM 0 HG LEU C 334 15.553 -10.427 -8.529 1.00 0.00 H new ATOM 0 HD11 LEU C 334 16.596 -11.401 -6.502 1.00 0.00 H new ATOM 0 HD12 LEU C 334 15.712 -12.640 -7.425 1.00 0.00 H new ATOM 0 HD13 LEU C 334 17.488 -12.560 -7.517 1.00 0.00 H new ATOM 0 HD21 LEU C 334 17.700 -9.502 -7.698 1.00 0.00 H new ATOM 0 HD22 LEU C 334 18.591 -10.654 -8.721 1.00 0.00 H new ATOM 0 HD23 LEU C 334 17.595 -9.383 -9.471 1.00 0.00 H new ATOM 114 N ALA C 335 13.420 -11.389 -10.526 1.00 0.00 N ATOM 115 CA ALA C 335 12.190 -10.644 -10.298 1.00 0.00 C ATOM 116 C ALA C 335 11.053 -11.583 -9.926 1.00 0.00 C ATOM 117 O ALA C 335 10.328 -11.344 -8.961 1.00 0.00 O ATOM 118 CB ALA C 335 11.820 -9.856 -11.558 1.00 0.00 C ATOM 0 H ALA C 335 13.791 -11.320 -11.473 1.00 0.00 H new ATOM 0 HA ALA C 335 12.353 -9.952 -9.471 1.00 0.00 H new ATOM 0 HB1 ALA C 335 10.899 -9.300 -11.382 1.00 0.00 H new ATOM 0 HB2 ALA C 335 12.623 -9.160 -11.801 1.00 0.00 H new ATOM 0 HB3 ALA C 335 11.674 -10.546 -12.389 1.00 0.00 H new ATOM 124 N VAL C 336 10.907 -12.655 -10.692 1.00 0.00 N ATOM 125 CA VAL C 336 9.851 -13.628 -10.437 1.00 0.00 C ATOM 126 C VAL C 336 10.010 -14.225 -9.046 1.00 0.00 C ATOM 127 O VAL C 336 9.037 -14.362 -8.303 1.00 0.00 O ATOM 128 CB VAL C 336 9.898 -14.737 -11.497 1.00 0.00 C ATOM 129 CG1 VAL C 336 8.932 -15.862 -11.103 1.00 0.00 C ATOM 130 CG2 VAL C 336 9.487 -14.162 -12.862 1.00 0.00 C ATOM 0 H VAL C 336 11.502 -12.873 -11.491 1.00 0.00 H new ATOM 0 HA VAL C 336 8.886 -13.125 -10.491 1.00 0.00 H new ATOM 0 HB VAL C 336 10.911 -15.134 -11.562 1.00 0.00 H new ATOM 0 HG11 VAL C 336 8.965 -16.650 -11.855 1.00 0.00 H new ATOM 0 HG12 VAL C 336 9.225 -16.271 -10.136 1.00 0.00 H new ATOM 0 HG13 VAL C 336 7.919 -15.465 -11.037 1.00 0.00 H new ATOM 0 HG21 VAL C 336 9.521 -14.950 -13.614 1.00 0.00 H new ATOM 0 HG22 VAL C 336 8.474 -13.764 -12.799 1.00 0.00 H new ATOM 0 HG23 VAL C 336 10.174 -13.364 -13.142 1.00 0.00 H new ATOM 140 N ASN C 337 11.239 -14.579 -8.698 1.00 0.00 N ATOM 141 CA ASN C 337 11.513 -15.157 -7.390 1.00 0.00 C ATOM 142 C ASN C 337 11.217 -14.144 -6.293 1.00 0.00 C ATOM 143 O ASN C 337 10.738 -14.507 -5.222 1.00 0.00 O ATOM 144 CB ASN C 337 12.976 -15.596 -7.304 1.00 0.00 C ATOM 145 CG ASN C 337 13.274 -16.148 -5.913 1.00 0.00 C ATOM 146 OD1 ASN C 337 12.983 -15.498 -4.910 1.00 0.00 O ATOM 147 ND2 ASN C 337 13.840 -17.318 -5.794 1.00 0.00 N ATOM 0 H ASN C 337 12.057 -14.477 -9.298 1.00 0.00 H new ATOM 0 HA ASN C 337 10.870 -16.026 -7.254 1.00 0.00 H new ATOM 0 HB2 ASN C 337 13.181 -16.356 -8.058 1.00 0.00 H new ATOM 0 HB3 ASN C 337 13.631 -14.751 -7.517 1.00 0.00 H new ATOM 0 HD21 ASN C 337 14.042 -17.695 -4.868 1.00 0.00 H new ATOM 0 HD22 ASN C 337 14.080 -17.855 -6.627 1.00 0.00 H new ATOM 154 N ASN C 338 11.508 -12.871 -6.567 1.00 0.00 N ATOM 155 CA ASN C 338 11.272 -11.804 -5.595 1.00 0.00 C ATOM 156 C ASN C 338 10.344 -10.751 -6.183 1.00 0.00 C ATOM 157 O ASN C 338 10.726 -9.593 -6.339 1.00 0.00 O ATOM 158 CB ASN C 338 12.602 -11.155 -5.205 1.00 0.00 C ATOM 159 CG ASN C 338 12.385 -10.194 -4.041 1.00 0.00 C ATOM 160 OD1 ASN C 338 11.268 -9.726 -3.821 1.00 0.00 O ATOM 161 ND2 ASN C 338 13.391 -9.877 -3.273 1.00 0.00 N ATOM 0 H ASN C 338 11.906 -12.555 -7.451 1.00 0.00 H new ATOM 0 HA ASN C 338 10.804 -12.234 -4.709 1.00 0.00 H new ATOM 0 HB2 ASN C 338 13.324 -11.923 -4.925 1.00 0.00 H new ATOM 0 HB3 ASN C 338 13.020 -10.620 -6.058 1.00 0.00 H new ATOM 0 HD21 ASN C 338 13.253 -9.240 -2.488 1.00 0.00 H new ATOM 0 HD22 ASN C 338 14.316 -10.266 -3.457 1.00 0.00 H new ATOM 168 N ASP C 339 9.119 -11.159 -6.499 1.00 0.00 N ATOM 169 CA ASP C 339 8.136 -10.238 -7.067 1.00 0.00 C ATOM 170 C ASP C 339 7.372 -9.527 -5.957 1.00 0.00 C ATOM 171 O ASP C 339 6.287 -9.952 -5.566 1.00 0.00 O ATOM 172 CB ASP C 339 7.156 -11.010 -7.950 1.00 0.00 C ATOM 173 CG ASP C 339 6.412 -12.055 -7.123 1.00 0.00 C ATOM 174 OD1 ASP C 339 6.765 -12.228 -5.966 1.00 0.00 O ATOM 175 OD2 ASP C 339 5.500 -12.667 -7.655 1.00 0.00 O ATOM 0 H ASP C 339 8.783 -12.114 -6.373 1.00 0.00 H new ATOM 0 HA ASP C 339 8.659 -9.494 -7.667 1.00 0.00 H new ATOM 0 HB2 ASP C 339 6.444 -10.321 -8.404 1.00 0.00 H new ATOM 0 HB3 ASP C 339 7.694 -11.496 -8.764 1.00 0.00 H new ATOM 180 N ASP C 340 7.946 -8.435 -5.457 1.00 0.00 N ATOM 181 CA ASP C 340 7.313 -7.670 -4.388 1.00 0.00 C ATOM 182 C ASP C 340 7.945 -6.288 -4.279 1.00 0.00 C ATOM 183 O ASP C 340 9.159 -6.163 -4.142 1.00 0.00 O ATOM 184 CB ASP C 340 7.463 -8.405 -3.055 1.00 0.00 C ATOM 185 CG ASP C 340 6.528 -9.607 -3.012 1.00 0.00 C ATOM 186 OD1 ASP C 340 5.396 -9.436 -2.589 1.00 0.00 O ATOM 187 OD2 ASP C 340 6.953 -10.679 -3.409 1.00 0.00 O ATOM 0 H ASP C 340 8.842 -8.063 -5.773 1.00 0.00 H new ATOM 0 HA ASP C 340 6.254 -7.561 -4.623 1.00 0.00 H new ATOM 0 HB2 ASP C 340 8.495 -8.732 -2.925 1.00 0.00 H new ATOM 0 HB3 ASP C 340 7.237 -7.729 -2.231 1.00 0.00 H new ATOM 192 N CYS C 341 7.108 -5.253 -4.338 1.00 0.00 N ATOM 193 CA CYS C 341 7.591 -3.873 -4.238 1.00 0.00 C ATOM 194 C CYS C 341 7.244 -3.270 -2.882 1.00 0.00 C ATOM 195 O CYS C 341 6.104 -3.359 -2.426 1.00 0.00 O ATOM 196 CB CYS C 341 6.972 -3.022 -5.351 1.00 0.00 C ATOM 197 SG CYS C 341 8.129 -1.711 -5.838 1.00 0.00 S ATOM 0 H CYS C 341 6.098 -5.341 -4.454 1.00 0.00 H new ATOM 0 HA CYS C 341 8.676 -3.884 -4.345 1.00 0.00 H new ATOM 0 HB2 CYS C 341 6.735 -3.648 -6.211 1.00 0.00 H new ATOM 0 HB3 CYS C 341 6.035 -2.584 -5.008 1.00 0.00 H new ATOM 202 N ALA C 342 8.229 -2.653 -2.247 1.00 0.00 N ATOM 203 CA ALA C 342 8.008 -2.025 -0.949 1.00 0.00 C ATOM 204 C ALA C 342 7.363 -0.656 -1.132 1.00 0.00 C ATOM 205 O ALA C 342 6.848 -0.071 -0.179 1.00 0.00 O ATOM 206 CB ALA C 342 9.335 -1.868 -0.210 1.00 0.00 C ATOM 0 H ALA C 342 9.181 -2.573 -2.603 1.00 0.00 H new ATOM 0 HA ALA C 342 7.343 -2.660 -0.364 1.00 0.00 H new ATOM 0 HB1 ALA C 342 9.159 -1.398 0.758 1.00 0.00 H new ATOM 0 HB2 ALA C 342 9.787 -2.849 -0.061 1.00 0.00 H new ATOM 0 HB3 ALA C 342 10.008 -1.245 -0.799 1.00 0.00 H new ATOM 212 N ILE C 343 7.397 -0.147 -2.362 1.00 0.00 N ATOM 213 CA ILE C 343 6.806 1.158 -2.651 1.00 0.00 C ATOM 214 C ILE C 343 5.349 1.012 -3.077 1.00 0.00 C ATOM 215 O ILE C 343 4.463 1.668 -2.529 1.00 0.00 O ATOM 216 CB ILE C 343 7.598 1.853 -3.771 1.00 0.00 C ATOM 217 CG1 ILE C 343 8.947 2.327 -3.219 1.00 0.00 C ATOM 218 CG2 ILE C 343 6.816 3.060 -4.302 1.00 0.00 C ATOM 219 CD1 ILE C 343 9.796 1.122 -2.801 1.00 0.00 C ATOM 0 H ILE C 343 7.822 -0.611 -3.165 1.00 0.00 H new ATOM 0 HA ILE C 343 6.846 1.760 -1.743 1.00 0.00 H new ATOM 0 HB ILE C 343 7.757 1.146 -4.585 1.00 0.00 H new ATOM 0 HG12 ILE C 343 9.474 2.909 -3.975 1.00 0.00 H new ATOM 0 HG13 ILE C 343 8.788 2.984 -2.364 1.00 0.00 H new ATOM 0 HG21 ILE C 343 7.387 3.544 -5.094 1.00 0.00 H new ATOM 0 HG22 ILE C 343 5.857 2.727 -4.698 1.00 0.00 H new ATOM 0 HG23 ILE C 343 6.647 3.769 -3.492 1.00 0.00 H new ATOM 0 HD11 ILE C 343 10.753 1.469 -2.410 1.00 0.00 H new ATOM 0 HD12 ILE C 343 9.272 0.558 -2.030 1.00 0.00 H new ATOM 0 HD13 ILE C 343 9.968 0.481 -3.666 1.00 0.00 H new ATOM 231 N CYS C 344 5.115 0.170 -4.075 1.00 0.00 N ATOM 232 CA CYS C 344 3.763 -0.024 -4.583 1.00 0.00 C ATOM 233 C CYS C 344 2.956 -0.899 -3.639 1.00 0.00 C ATOM 234 O CYS C 344 1.747 -0.718 -3.508 1.00 0.00 O ATOM 235 CB CYS C 344 3.814 -0.693 -5.976 1.00 0.00 C ATOM 236 SG CYS C 344 5.476 -0.567 -6.658 1.00 0.00 S ATOM 0 H CYS C 344 5.833 -0.383 -4.544 1.00 0.00 H new ATOM 0 HA CYS C 344 3.284 0.952 -4.660 1.00 0.00 H new ATOM 0 HB2 CYS C 344 3.523 -1.740 -5.897 1.00 0.00 H new ATOM 0 HB3 CYS C 344 3.100 -0.214 -6.645 1.00 0.00 H new ATOM 241 N TRP C 345 3.628 -1.849 -2.995 1.00 0.00 N ATOM 242 CA TRP C 345 2.962 -2.760 -2.073 1.00 0.00 C ATOM 243 C TRP C 345 2.259 -3.882 -2.837 1.00 0.00 C ATOM 244 O TRP C 345 1.295 -4.464 -2.347 1.00 0.00 O ATOM 245 CB TRP C 345 1.938 -1.995 -1.217 1.00 0.00 C ATOM 246 CG TRP C 345 1.767 -2.675 0.097 1.00 0.00 C ATOM 247 CD1 TRP C 345 0.621 -3.246 0.527 1.00 0.00 C ATOM 248 CD2 TRP C 345 2.751 -2.873 1.149 1.00 0.00 C ATOM 249 NE1 TRP C 345 0.836 -3.780 1.784 1.00 0.00 N ATOM 250 CE2 TRP C 345 2.133 -3.574 2.211 1.00 0.00 C ATOM 251 CE3 TRP C 345 4.103 -2.513 1.286 1.00 0.00 C ATOM 252 CZ2 TRP C 345 2.834 -3.908 3.368 1.00 0.00 C ATOM 253 CZ3 TRP C 345 4.812 -2.848 2.451 1.00 0.00 C ATOM 254 CH2 TRP C 345 4.178 -3.544 3.490 1.00 0.00 C ATOM 0 H TRP C 345 4.631 -2.007 -3.095 1.00 0.00 H new ATOM 0 HA TRP C 345 3.718 -3.199 -1.422 1.00 0.00 H new ATOM 0 HB2 TRP C 345 2.273 -0.969 -1.064 1.00 0.00 H new ATOM 0 HB3 TRP C 345 0.982 -1.944 -1.737 1.00 0.00 H new ATOM 0 HD1 TRP C 345 -0.309 -3.280 -0.020 1.00 0.00 H new ATOM 0 HE1 TRP C 345 0.124 -4.266 2.329 1.00 0.00 H new ATOM 0 HE3 TRP C 345 4.599 -1.976 0.491 1.00 0.00 H new ATOM 0 HZ2 TRP C 345 2.342 -4.445 4.166 1.00 0.00 H new ATOM 0 HZ3 TRP C 345 5.851 -2.568 2.547 1.00 0.00 H new ATOM 0 HH2 TRP C 345 4.728 -3.799 4.384 1.00 0.00 H new ATOM 265 N ASP C 346 2.746 -4.175 -4.038 1.00 0.00 N ATOM 266 CA ASP C 346 2.151 -5.224 -4.864 1.00 0.00 C ATOM 267 C ASP C 346 3.234 -5.973 -5.636 1.00 0.00 C ATOM 268 O ASP C 346 4.266 -6.344 -5.078 1.00 0.00 O ATOM 269 CB ASP C 346 1.144 -4.612 -5.841 1.00 0.00 C ATOM 270 CG ASP C 346 1.857 -3.678 -6.817 1.00 0.00 C ATOM 271 OD1 ASP C 346 3.068 -3.751 -6.905 1.00 0.00 O ATOM 272 OD2 ASP C 346 1.174 -2.901 -7.463 1.00 0.00 O ATOM 0 H ASP C 346 3.546 -3.705 -4.461 1.00 0.00 H new ATOM 0 HA ASP C 346 1.635 -5.929 -4.213 1.00 0.00 H new ATOM 0 HB2 ASP C 346 0.633 -5.402 -6.390 1.00 0.00 H new ATOM 0 HB3 ASP C 346 0.381 -4.061 -5.291 1.00 0.00 H new ATOM 277 N SER C 347 2.989 -6.188 -6.926 1.00 0.00 N ATOM 278 CA SER C 347 3.946 -6.886 -7.770 1.00 0.00 C ATOM 279 C SER C 347 3.708 -6.558 -9.240 1.00 0.00 C ATOM 280 O SER C 347 2.647 -6.059 -9.611 1.00 0.00 O ATOM 281 CB SER C 347 3.817 -8.392 -7.555 1.00 0.00 C ATOM 282 OG SER C 347 2.754 -8.893 -8.355 1.00 0.00 O ATOM 0 H SER C 347 2.139 -5.889 -7.405 1.00 0.00 H new ATOM 0 HA SER C 347 4.950 -6.560 -7.499 1.00 0.00 H new ATOM 0 HB2 SER C 347 4.751 -8.889 -7.818 1.00 0.00 H new ATOM 0 HB3 SER C 347 3.627 -8.606 -6.503 1.00 0.00 H new ATOM 0 HG SER C 347 2.670 -9.860 -8.220 1.00 0.00 H new ATOM 288 N MET C 348 4.703 -6.843 -10.072 1.00 0.00 N ATOM 289 CA MET C 348 4.592 -6.578 -11.501 1.00 0.00 C ATOM 290 C MET C 348 5.621 -7.395 -12.276 1.00 0.00 C ATOM 291 O MET C 348 5.665 -8.620 -12.159 1.00 0.00 O ATOM 292 CB MET C 348 4.795 -5.086 -11.778 1.00 0.00 C ATOM 293 CG MET C 348 4.251 -4.737 -13.168 1.00 0.00 C ATOM 294 SD MET C 348 4.606 -3.002 -13.536 1.00 0.00 S ATOM 295 CE MET C 348 4.017 -3.016 -15.245 1.00 0.00 C ATOM 0 H MET C 348 5.590 -7.255 -9.784 1.00 0.00 H new ATOM 0 HA MET C 348 3.594 -6.868 -11.830 1.00 0.00 H new ATOM 0 HB2 MET C 348 4.285 -4.493 -11.019 1.00 0.00 H new ATOM 0 HB3 MET C 348 5.854 -4.837 -11.719 1.00 0.00 H new ATOM 0 HG2 MET C 348 4.707 -5.380 -13.921 1.00 0.00 H new ATOM 0 HG3 MET C 348 3.176 -4.915 -13.205 1.00 0.00 H new ATOM 0 HE1 MET C 348 4.142 -2.025 -15.681 1.00 0.00 H new ATOM 0 HE2 MET C 348 4.591 -3.742 -15.822 1.00 0.00 H new ATOM 0 HE3 MET C 348 2.962 -3.290 -15.264 1.00 0.00 H new ATOM 305 N GLN C 349 6.445 -6.715 -13.075 1.00 0.00 N ATOM 306 CA GLN C 349 7.466 -7.380 -13.873 1.00 0.00 C ATOM 307 C GLN C 349 8.778 -6.611 -13.810 1.00 0.00 C ATOM 308 O GLN C 349 9.838 -7.200 -13.589 1.00 0.00 O ATOM 309 CB GLN C 349 6.998 -7.473 -15.326 1.00 0.00 C ATOM 310 CG GLN C 349 5.802 -8.423 -15.426 1.00 0.00 C ATOM 311 CD GLN C 349 6.244 -9.850 -15.119 1.00 0.00 C ATOM 312 OE1 GLN C 349 7.227 -10.331 -15.685 1.00 0.00 O ATOM 313 NE2 GLN C 349 5.577 -10.560 -14.252 1.00 0.00 N ATOM 0 H GLN C 349 6.422 -5.701 -13.184 1.00 0.00 H new ATOM 0 HA GLN C 349 7.627 -8.381 -13.472 1.00 0.00 H new ATOM 0 HB2 GLN C 349 6.721 -6.485 -15.692 1.00 0.00 H new ATOM 0 HB3 GLN C 349 7.812 -7.830 -15.958 1.00 0.00 H new ATOM 0 HG2 GLN C 349 5.024 -8.116 -14.727 1.00 0.00 H new ATOM 0 HG3 GLN C 349 5.370 -8.374 -16.426 1.00 0.00 H new ATOM 0 HE21 GLN C 349 4.763 -10.161 -13.784 1.00 0.00 H new ATOM 0 HE22 GLN C 349 5.869 -11.514 -14.042 1.00 0.00 H new ATOM 322 N ALA C 350 8.708 -5.300 -14.008 1.00 0.00 N ATOM 323 CA ALA C 350 9.909 -4.471 -13.979 1.00 0.00 C ATOM 324 C ALA C 350 10.648 -4.651 -12.659 1.00 0.00 C ATOM 325 O ALA C 350 10.061 -4.524 -11.589 1.00 0.00 O ATOM 326 CB ALA C 350 9.529 -2.998 -14.163 1.00 0.00 C ATOM 0 H ALA C 350 7.843 -4.791 -14.189 1.00 0.00 H new ATOM 0 HA ALA C 350 10.565 -4.779 -14.793 1.00 0.00 H new ATOM 0 HB1 ALA C 350 10.430 -2.384 -14.140 1.00 0.00 H new ATOM 0 HB2 ALA C 350 9.026 -2.869 -15.121 1.00 0.00 H new ATOM 0 HB3 ALA C 350 8.861 -2.691 -13.358 1.00 0.00 H new ATOM 332 N ALA C 351 11.941 -4.948 -12.747 1.00 0.00 N ATOM 333 CA ALA C 351 12.759 -5.145 -11.552 1.00 0.00 C ATOM 334 C ALA C 351 14.130 -4.515 -11.729 1.00 0.00 C ATOM 335 O ALA C 351 14.757 -4.659 -12.773 1.00 0.00 O ATOM 336 CB ALA C 351 12.916 -6.639 -11.280 1.00 0.00 C ATOM 0 H ALA C 351 12.444 -5.057 -13.628 1.00 0.00 H new ATOM 0 HA ALA C 351 12.262 -4.666 -10.708 1.00 0.00 H new ATOM 0 HB1 ALA C 351 13.526 -6.784 -10.389 1.00 0.00 H new ATOM 0 HB2 ALA C 351 11.934 -7.086 -11.124 1.00 0.00 H new ATOM 0 HB3 ALA C 351 13.400 -7.115 -12.133 1.00 0.00 H new ATOM 342 N ARG C 352 14.596 -3.816 -10.697 1.00 0.00 N ATOM 343 CA ARG C 352 15.904 -3.174 -10.747 1.00 0.00 C ATOM 344 C ARG C 352 16.563 -3.236 -9.380 1.00 0.00 C ATOM 345 O ARG C 352 15.881 -3.165 -8.360 1.00 0.00 O ATOM 346 CB ARG C 352 15.762 -1.729 -11.206 1.00 0.00 C ATOM 347 CG ARG C 352 17.155 -1.093 -11.333 1.00 0.00 C ATOM 348 CD ARG C 352 17.116 0.035 -12.369 1.00 0.00 C ATOM 349 NE ARG C 352 18.270 0.907 -12.206 1.00 0.00 N ATOM 350 CZ ARG C 352 19.435 0.622 -12.777 1.00 0.00 C ATOM 351 NH1 ARG C 352 19.563 -0.461 -13.494 1.00 0.00 N ATOM 352 NH2 ARG C 352 20.451 1.424 -12.616 1.00 0.00 N ATOM 0 H ARG C 352 14.090 -3.681 -9.822 1.00 0.00 H new ATOM 0 HA ARG C 352 16.533 -3.703 -11.463 1.00 0.00 H new ATOM 0 HB2 ARG C 352 15.244 -1.690 -12.164 1.00 0.00 H new ATOM 0 HB3 ARG C 352 15.158 -1.168 -10.494 1.00 0.00 H new ATOM 0 HG2 ARG C 352 17.476 -0.702 -10.368 1.00 0.00 H new ATOM 0 HG3 ARG C 352 17.884 -1.847 -11.630 1.00 0.00 H new ATOM 0 HD2 ARG C 352 17.108 -0.385 -13.375 1.00 0.00 H new ATOM 0 HD3 ARG C 352 16.197 0.611 -12.256 1.00 0.00 H new ATOM 0 HE ARG C 352 18.182 1.753 -11.643 1.00 0.00 H new ATOM 0 HH11 ARG C 352 18.768 -1.089 -13.616 1.00 0.00 H new ATOM 0 HH12 ARG C 352 20.458 -0.680 -13.932 1.00 0.00 H new ATOM 0 HH21 ARG C 352 20.350 2.268 -12.052 1.00 0.00 H new ATOM 0 HH22 ARG C 352 21.346 1.207 -13.054 1.00 0.00 H new ATOM 366 N LYS C 353 17.890 -3.360 -9.364 1.00 0.00 N ATOM 367 CA LYS C 353 18.630 -3.431 -8.110 1.00 0.00 C ATOM 368 C LYS C 353 19.381 -2.144 -7.826 1.00 0.00 C ATOM 369 O LYS C 353 20.213 -1.706 -8.620 1.00 0.00 O ATOM 370 CB LYS C 353 19.623 -4.594 -8.164 1.00 0.00 C ATOM 371 CG LYS C 353 20.427 -4.656 -6.861 1.00 0.00 C ATOM 372 CD LYS C 353 21.341 -5.878 -6.881 1.00 0.00 C ATOM 373 CE LYS C 353 22.132 -5.942 -5.574 1.00 0.00 C ATOM 374 NZ LYS C 353 21.198 -6.181 -4.437 1.00 0.00 N ATOM 0 H LYS C 353 18.470 -3.413 -10.202 1.00 0.00 H new ATOM 0 HA LYS C 353 17.909 -3.586 -7.307 1.00 0.00 H new ATOM 0 HB2 LYS C 353 19.089 -5.532 -8.317 1.00 0.00 H new ATOM 0 HB3 LYS C 353 20.297 -4.469 -9.011 1.00 0.00 H new ATOM 0 HG2 LYS C 353 21.019 -3.748 -6.744 1.00 0.00 H new ATOM 0 HG3 LYS C 353 19.751 -4.709 -6.007 1.00 0.00 H new ATOM 0 HD2 LYS C 353 20.750 -6.786 -7.006 1.00 0.00 H new ATOM 0 HD3 LYS C 353 22.023 -5.822 -7.729 1.00 0.00 H new ATOM 0 HE2 LYS C 353 22.873 -6.740 -5.624 1.00 0.00 H new ATOM 0 HE3 LYS C 353 22.677 -5.011 -5.421 1.00 0.00 H new ATOM 0 HZ1 LYS C 353 21.743 -6.426 -3.586 1.00 0.00 H new ATOM 0 HZ2 LYS C 353 20.643 -5.320 -4.257 1.00 0.00 H new ATOM 0 HZ3 LYS C 353 20.556 -6.964 -4.674 1.00 0.00 H new ATOM 388 N LEU C 354 19.102 -1.538 -6.674 1.00 0.00 N ATOM 389 CA LEU C 354 19.778 -0.308 -6.298 1.00 0.00 C ATOM 390 C LEU C 354 21.276 -0.561 -6.126 1.00 0.00 C ATOM 391 O LEU C 354 21.696 -1.689 -5.869 1.00 0.00 O ATOM 392 CB LEU C 354 19.206 0.197 -4.959 1.00 0.00 C ATOM 393 CG LEU C 354 17.918 0.997 -5.202 1.00 0.00 C ATOM 394 CD1 LEU C 354 17.042 0.959 -3.943 1.00 0.00 C ATOM 395 CD2 LEU C 354 18.253 2.454 -5.550 1.00 0.00 C ATOM 0 H LEU C 354 18.420 -1.877 -5.995 1.00 0.00 H new ATOM 0 HA LEU C 354 19.623 0.434 -7.081 1.00 0.00 H new ATOM 0 HB2 LEU C 354 19.000 -0.647 -4.301 1.00 0.00 H new ATOM 0 HB3 LEU C 354 19.942 0.823 -4.453 1.00 0.00 H new ATOM 0 HG LEU C 354 17.379 0.549 -6.037 1.00 0.00 H new ATOM 0 HD11 LEU C 354 16.129 1.527 -4.118 1.00 0.00 H new ATOM 0 HD12 LEU C 354 16.787 -0.074 -3.708 1.00 0.00 H new ATOM 0 HD13 LEU C 354 17.587 1.397 -3.107 1.00 0.00 H new ATOM 0 HD21 LEU C 354 17.330 3.009 -5.720 1.00 0.00 H new ATOM 0 HD22 LEU C 354 18.803 2.908 -4.726 1.00 0.00 H new ATOM 0 HD23 LEU C 354 18.864 2.481 -6.452 1.00 0.00 H new ATOM 407 N PRO C 355 22.073 0.469 -6.230 1.00 0.00 N ATOM 408 CA PRO C 355 23.545 0.375 -6.043 1.00 0.00 C ATOM 409 C PRO C 355 23.901 -0.007 -4.601 1.00 0.00 C ATOM 410 O PRO C 355 25.020 -0.444 -4.328 1.00 0.00 O ATOM 411 CB PRO C 355 24.053 1.790 -6.391 1.00 0.00 C ATOM 412 CG PRO C 355 22.869 2.684 -6.198 1.00 0.00 C ATOM 413 CD PRO C 355 21.657 1.846 -6.555 1.00 0.00 C ATOM 0 HA PRO C 355 23.998 -0.397 -6.665 1.00 0.00 H new ATOM 0 HB2 PRO C 355 24.879 2.083 -5.743 1.00 0.00 H new ATOM 0 HB3 PRO C 355 24.420 1.837 -7.416 1.00 0.00 H new ATOM 0 HG2 PRO C 355 22.810 3.038 -5.169 1.00 0.00 H new ATOM 0 HG3 PRO C 355 22.937 3.566 -6.835 1.00 0.00 H new ATOM 0 HD2 PRO C 355 20.780 2.145 -5.980 1.00 0.00 H new ATOM 0 HD3 PRO C 355 21.397 1.947 -7.609 1.00 0.00 H new ATOM 421 N CYS C 356 22.950 0.175 -3.686 1.00 0.00 N ATOM 422 CA CYS C 356 23.179 -0.145 -2.282 1.00 0.00 C ATOM 423 C CYS C 356 22.954 -1.629 -2.026 1.00 0.00 C ATOM 424 O CYS C 356 23.785 -2.289 -1.403 1.00 0.00 O ATOM 425 CB CYS C 356 22.244 0.685 -1.397 1.00 0.00 C ATOM 426 SG CYS C 356 20.550 0.056 -1.511 1.00 0.00 S ATOM 0 H CYS C 356 22.020 0.540 -3.892 1.00 0.00 H new ATOM 0 HA CYS C 356 24.213 0.096 -2.037 1.00 0.00 H new ATOM 0 HB2 CYS C 356 22.584 0.648 -0.362 1.00 0.00 H new ATOM 0 HB3 CYS C 356 22.273 1.730 -1.705 1.00 0.00 H new ATOM 431 N GLY C 357 21.829 -2.147 -2.510 1.00 0.00 N ATOM 432 CA GLY C 357 21.501 -3.560 -2.327 1.00 0.00 C ATOM 433 C GLY C 357 20.013 -3.748 -2.072 1.00 0.00 C ATOM 434 O GLY C 357 19.613 -4.318 -1.054 1.00 0.00 O ATOM 0 H GLY C 357 21.131 -1.614 -3.029 1.00 0.00 H new ATOM 0 HA2 GLY C 357 21.795 -4.123 -3.213 1.00 0.00 H new ATOM 0 HA3 GLY C 357 22.070 -3.963 -1.490 1.00 0.00 H new ATOM 438 N HIS C 358 19.189 -3.285 -3.009 1.00 0.00 N ATOM 439 CA HIS C 358 17.736 -3.412 -2.876 1.00 0.00 C ATOM 440 C HIS C 358 17.099 -3.598 -4.241 1.00 0.00 C ATOM 441 O HIS C 358 17.576 -3.049 -5.219 1.00 0.00 O ATOM 442 CB HIS C 358 17.162 -2.165 -2.196 1.00 0.00 C ATOM 443 CG HIS C 358 17.269 -2.310 -0.705 1.00 0.00 C ATOM 444 ND1 HIS C 358 18.221 -1.629 0.041 1.00 0.00 N ATOM 445 CD2 HIS C 358 16.561 -3.069 0.186 1.00 0.00 C ATOM 446 CE1 HIS C 358 18.054 -1.997 1.326 1.00 0.00 C ATOM 447 NE2 HIS C 358 17.054 -2.870 1.468 1.00 0.00 N ATOM 0 H HIS C 358 19.498 -2.821 -3.864 1.00 0.00 H new ATOM 0 HA HIS C 358 17.514 -4.285 -2.263 1.00 0.00 H new ATOM 0 HB2 HIS C 358 17.703 -1.278 -2.525 1.00 0.00 H new ATOM 0 HB3 HIS C 358 16.120 -2.028 -2.484 1.00 0.00 H new ATOM 0 HD2 HIS C 358 15.742 -3.724 -0.070 1.00 0.00 H new ATOM 0 HE1 HIS C 358 18.657 -1.630 2.143 1.00 0.00 H new ATOM 0 HE2 HIS C 358 16.723 -3.299 2.333 1.00 0.00 H new ATOM 455 N LEU C 359 16.027 -4.391 -4.297 1.00 0.00 N ATOM 456 CA LEU C 359 15.349 -4.657 -5.565 1.00 0.00 C ATOM 457 C LEU C 359 14.093 -3.831 -5.727 1.00 0.00 C ATOM 458 O LEU C 359 13.106 -4.053 -5.031 1.00 0.00 O ATOM 459 CB LEU C 359 14.957 -6.136 -5.623 1.00 0.00 C ATOM 460 CG LEU C 359 16.177 -7.010 -5.319 1.00 0.00 C ATOM 461 CD1 LEU C 359 15.758 -8.479 -5.283 1.00 0.00 C ATOM 462 CD2 LEU C 359 17.238 -6.804 -6.406 1.00 0.00 C ATOM 0 H LEU C 359 15.614 -4.855 -3.488 1.00 0.00 H new ATOM 0 HA LEU C 359 16.040 -4.393 -6.366 1.00 0.00 H new ATOM 0 HB2 LEU C 359 14.164 -6.340 -4.903 1.00 0.00 H new ATOM 0 HB3 LEU C 359 14.562 -6.378 -6.610 1.00 0.00 H new ATOM 0 HG LEU C 359 16.592 -6.729 -4.351 1.00 0.00 H new ATOM 0 HD11 LEU C 359 16.627 -9.100 -5.067 1.00 0.00 H new ATOM 0 HD12 LEU C 359 15.006 -8.624 -4.507 1.00 0.00 H new ATOM 0 HD13 LEU C 359 15.341 -8.762 -6.250 1.00 0.00 H new ATOM 0 HD21 LEU C 359 18.106 -7.426 -6.189 1.00 0.00 H new ATOM 0 HD22 LEU C 359 16.825 -7.083 -7.375 1.00 0.00 H new ATOM 0 HD23 LEU C 359 17.538 -5.756 -6.427 1.00 0.00 H new ATOM 474 N PHE C 360 14.137 -2.857 -6.653 1.00 0.00 N ATOM 475 CA PHE C 360 12.998 -1.968 -6.929 1.00 0.00 C ATOM 476 C PHE C 360 12.658 -1.986 -8.390 1.00 0.00 C ATOM 477 O PHE C 360 13.509 -2.233 -9.237 1.00 0.00 O ATOM 478 CB PHE C 360 13.370 -0.544 -6.482 1.00 0.00 C ATOM 479 CG PHE C 360 13.282 -0.388 -4.967 1.00 0.00 C ATOM 480 CD1 PHE C 360 12.604 -1.313 -4.141 1.00 0.00 C ATOM 481 CD2 PHE C 360 13.999 0.645 -4.363 1.00 0.00 C ATOM 482 CE1 PHE C 360 12.610 -1.180 -2.778 1.00 0.00 C ATOM 483 CE2 PHE C 360 14.000 0.773 -2.972 1.00 0.00 C ATOM 484 CZ PHE C 360 13.305 -0.140 -2.182 1.00 0.00 C ATOM 0 H PHE C 360 14.958 -2.666 -7.227 1.00 0.00 H new ATOM 0 HA PHE C 360 12.122 -2.311 -6.379 1.00 0.00 H new ATOM 0 HB2 PHE C 360 14.382 -0.311 -6.814 1.00 0.00 H new ATOM 0 HB3 PHE C 360 12.704 0.174 -6.961 1.00 0.00 H new ATOM 0 HD1 PHE C 360 12.073 -2.138 -4.592 1.00 0.00 H new ATOM 0 HD2 PHE C 360 14.553 1.345 -4.970 1.00 0.00 H new ATOM 0 HE1 PHE C 360 12.071 -1.888 -2.166 1.00 0.00 H new ATOM 0 HE2 PHE C 360 14.542 1.583 -2.507 1.00 0.00 H new ATOM 0 HZ PHE C 360 13.308 -0.037 -1.107 1.00 0.00 H new ATOM 494 N HIS C 361 11.386 -1.740 -8.671 1.00 0.00 N ATOM 495 CA HIS C 361 10.909 -1.741 -10.038 1.00 0.00 C ATOM 496 C HIS C 361 11.442 -0.516 -10.766 1.00 0.00 C ATOM 497 O HIS C 361 11.780 0.480 -10.137 1.00 0.00 O ATOM 498 CB HIS C 361 9.381 -1.736 -10.064 1.00 0.00 C ATOM 499 CG HIS C 361 8.860 -2.992 -9.421 1.00 0.00 C ATOM 500 ND1 HIS C 361 7.523 -3.150 -9.079 1.00 0.00 N ATOM 501 CD2 HIS C 361 9.477 -4.165 -9.067 1.00 0.00 C ATOM 502 CE1 HIS C 361 7.390 -4.385 -8.549 1.00 0.00 C ATOM 503 NE2 HIS C 361 8.548 -5.038 -8.519 1.00 0.00 N ATOM 0 H HIS C 361 10.672 -1.539 -7.971 1.00 0.00 H new ATOM 0 HA HIS C 361 11.265 -2.642 -10.538 1.00 0.00 H new ATOM 0 HB2 HIS C 361 9.001 -0.861 -9.536 1.00 0.00 H new ATOM 0 HB3 HIS C 361 9.025 -1.667 -11.092 1.00 0.00 H new ATOM 0 HD2 HIS C 361 10.528 -4.377 -9.196 1.00 0.00 H new ATOM 0 HE1 HIS C 361 6.456 -4.793 -8.193 1.00 0.00 H new ATOM 0 HE2 HIS C 361 8.717 -5.981 -8.168 1.00 0.00 H new ATOM 511 N ASN C 362 11.535 -0.610 -12.087 1.00 0.00 N ATOM 512 CA ASN C 362 12.054 0.497 -12.880 1.00 0.00 C ATOM 513 C ASN C 362 11.192 1.744 -12.708 1.00 0.00 C ATOM 514 O ASN C 362 11.707 2.834 -12.458 1.00 0.00 O ATOM 515 CB ASN C 362 12.080 0.102 -14.357 1.00 0.00 C ATOM 516 CG ASN C 362 12.551 1.279 -15.206 1.00 0.00 C ATOM 517 OD1 ASN C 362 11.937 2.346 -15.185 1.00 0.00 O ATOM 518 ND2 ASN C 362 13.611 1.147 -15.955 1.00 0.00 N ATOM 0 H ASN C 362 11.261 -1.431 -12.626 1.00 0.00 H new ATOM 0 HA ASN C 362 13.063 0.721 -12.535 1.00 0.00 H new ATOM 0 HB2 ASN C 362 12.744 -0.750 -14.502 1.00 0.00 H new ATOM 0 HB3 ASN C 362 11.086 -0.211 -14.675 1.00 0.00 H new ATOM 0 HD21 ASN C 362 13.933 1.929 -16.525 1.00 0.00 H new ATOM 0 HD22 ASN C 362 14.118 0.262 -15.970 1.00 0.00 H new ATOM 525 N SER C 363 9.882 1.577 -12.841 1.00 0.00 N ATOM 526 CA SER C 363 8.963 2.699 -12.695 1.00 0.00 C ATOM 527 C SER C 363 9.011 3.263 -11.279 1.00 0.00 C ATOM 528 O SER C 363 8.977 4.478 -11.078 1.00 0.00 O ATOM 529 CB SER C 363 7.540 2.250 -13.021 1.00 0.00 C ATOM 530 OG SER C 363 7.435 1.994 -14.415 1.00 0.00 O ATOM 0 H SER C 363 9.435 0.684 -13.048 1.00 0.00 H new ATOM 0 HA SER C 363 9.267 3.482 -13.389 1.00 0.00 H new ATOM 0 HB2 SER C 363 7.291 1.352 -12.455 1.00 0.00 H new ATOM 0 HB3 SER C 363 6.827 3.020 -12.726 1.00 0.00 H new ATOM 0 HG SER C 363 6.523 1.704 -14.627 1.00 0.00 H new ATOM 536 N CYS C 364 9.077 2.368 -10.298 1.00 0.00 N ATOM 537 CA CYS C 364 9.115 2.786 -8.900 1.00 0.00 C ATOM 538 C CYS C 364 10.457 3.398 -8.549 1.00 0.00 C ATOM 539 O CYS C 364 10.528 4.447 -7.908 1.00 0.00 O ATOM 540 CB CYS C 364 8.857 1.586 -7.992 1.00 0.00 C ATOM 541 SG CYS C 364 7.292 0.832 -8.468 1.00 0.00 S ATOM 0 H CYS C 364 9.105 1.359 -10.442 1.00 0.00 H new ATOM 0 HA CYS C 364 8.339 3.537 -8.752 1.00 0.00 H new ATOM 0 HB2 CYS C 364 9.668 0.863 -8.081 1.00 0.00 H new ATOM 0 HB3 CYS C 364 8.824 1.901 -6.949 1.00 0.00 H new ATOM 546 N LEU C 365 11.524 2.737 -8.974 1.00 0.00 N ATOM 547 CA LEU C 365 12.858 3.234 -8.692 1.00 0.00 C ATOM 548 C LEU C 365 13.100 4.576 -9.379 1.00 0.00 C ATOM 549 O LEU C 365 13.582 5.524 -8.764 1.00 0.00 O ATOM 550 CB LEU C 365 13.905 2.215 -9.163 1.00 0.00 C ATOM 551 CG LEU C 365 15.320 2.805 -9.036 1.00 0.00 C ATOM 552 CD1 LEU C 365 15.547 3.297 -7.607 1.00 0.00 C ATOM 553 CD2 LEU C 365 16.366 1.730 -9.378 1.00 0.00 C ATOM 0 H LEU C 365 11.492 1.868 -9.507 1.00 0.00 H new ATOM 0 HA LEU C 365 12.947 3.378 -7.615 1.00 0.00 H new ATOM 0 HB2 LEU C 365 13.829 1.304 -8.569 1.00 0.00 H new ATOM 0 HB3 LEU C 365 13.711 1.937 -10.199 1.00 0.00 H new ATOM 0 HG LEU C 365 15.420 3.641 -9.729 1.00 0.00 H new ATOM 0 HD11 LEU C 365 16.550 3.714 -7.521 1.00 0.00 H new ATOM 0 HD12 LEU C 365 14.813 4.065 -7.366 1.00 0.00 H new ATOM 0 HD13 LEU C 365 15.440 2.463 -6.914 1.00 0.00 H new ATOM 0 HD21 LEU C 365 17.366 2.153 -9.286 1.00 0.00 H new ATOM 0 HD22 LEU C 365 16.263 0.890 -8.691 1.00 0.00 H new ATOM 0 HD23 LEU C 365 16.211 1.383 -10.400 1.00 0.00 H new ATOM 565 N ARG C 366 12.766 4.648 -10.660 1.00 0.00 N ATOM 566 CA ARG C 366 12.961 5.872 -11.419 1.00 0.00 C ATOM 567 C ARG C 366 12.164 7.005 -10.791 1.00 0.00 C ATOM 568 O ARG C 366 12.669 8.114 -10.625 1.00 0.00 O ATOM 569 CB ARG C 366 12.514 5.659 -12.868 1.00 0.00 C ATOM 570 CG ARG C 366 12.801 6.920 -13.681 1.00 0.00 C ATOM 571 CD ARG C 366 12.418 6.683 -15.143 1.00 0.00 C ATOM 572 NE ARG C 366 12.636 7.899 -15.923 1.00 0.00 N ATOM 573 CZ ARG C 366 13.820 8.172 -16.459 1.00 0.00 C ATOM 574 NH1 ARG C 366 14.819 7.348 -16.290 1.00 0.00 N ATOM 575 NH2 ARG C 366 13.987 9.266 -17.152 1.00 0.00 N ATOM 0 H ARG C 366 12.361 3.877 -11.192 1.00 0.00 H new ATOM 0 HA ARG C 366 14.019 6.135 -11.407 1.00 0.00 H new ATOM 0 HB2 ARG C 366 13.039 4.807 -13.300 1.00 0.00 H new ATOM 0 HB3 ARG C 366 11.450 5.427 -12.901 1.00 0.00 H new ATOM 0 HG2 ARG C 366 12.237 7.761 -13.278 1.00 0.00 H new ATOM 0 HG3 ARG C 366 13.857 7.180 -13.608 1.00 0.00 H new ATOM 0 HD2 ARG C 366 13.011 5.866 -15.555 1.00 0.00 H new ATOM 0 HD3 ARG C 366 11.372 6.382 -15.209 1.00 0.00 H new ATOM 0 HE ARG C 366 11.864 8.551 -16.059 1.00 0.00 H new ATOM 0 HH11 ARG C 366 14.690 6.495 -15.746 1.00 0.00 H new ATOM 0 HH12 ARG C 366 15.728 7.558 -16.702 1.00 0.00 H new ATOM 0 HH21 ARG C 366 13.208 9.911 -17.282 1.00 0.00 H new ATOM 0 HH22 ARG C 366 14.897 9.475 -17.563 1.00 0.00 H new ATOM 589 N SER C 367 10.916 6.717 -10.441 1.00 0.00 N ATOM 590 CA SER C 367 10.058 7.724 -9.829 1.00 0.00 C ATOM 591 C SER C 367 10.682 8.226 -8.529 1.00 0.00 C ATOM 592 O SER C 367 10.615 9.416 -8.215 1.00 0.00 O ATOM 593 CB SER C 367 8.681 7.126 -9.534 1.00 0.00 C ATOM 594 OG SER C 367 8.809 6.120 -8.540 1.00 0.00 O ATOM 0 H SER C 367 10.479 5.804 -10.569 1.00 0.00 H new ATOM 0 HA SER C 367 9.950 8.559 -10.521 1.00 0.00 H new ATOM 0 HB2 SER C 367 7.999 7.905 -9.193 1.00 0.00 H new ATOM 0 HB3 SER C 367 8.253 6.703 -10.443 1.00 0.00 H new ATOM 0 HG SER C 367 9.709 5.733 -8.580 1.00 0.00 H new ATOM 600 N TRP C 368 11.286 7.312 -7.778 1.00 0.00 N ATOM 601 CA TRP C 368 11.919 7.673 -6.515 1.00 0.00 C ATOM 602 C TRP C 368 13.128 8.569 -6.762 1.00 0.00 C ATOM 603 O TRP C 368 13.302 9.591 -6.099 1.00 0.00 O ATOM 604 CB TRP C 368 12.357 6.410 -5.769 1.00 0.00 C ATOM 605 CG TRP C 368 12.719 6.761 -4.362 1.00 0.00 C ATOM 606 CD1 TRP C 368 13.979 6.889 -3.890 1.00 0.00 C ATOM 607 CD2 TRP C 368 11.832 7.028 -3.237 1.00 0.00 C ATOM 608 NE1 TRP C 368 13.924 7.216 -2.548 1.00 0.00 N ATOM 609 CE2 TRP C 368 12.621 7.316 -2.100 1.00 0.00 C ATOM 610 CE3 TRP C 368 10.432 7.049 -3.096 1.00 0.00 C ATOM 611 CZ2 TRP C 368 12.044 7.614 -0.865 1.00 0.00 C ATOM 612 CZ3 TRP C 368 9.848 7.350 -1.854 1.00 0.00 C ATOM 613 CH2 TRP C 368 10.653 7.631 -0.740 1.00 0.00 C ATOM 0 H TRP C 368 11.351 6.323 -8.019 1.00 0.00 H new ATOM 0 HA TRP C 368 11.195 8.217 -5.908 1.00 0.00 H new ATOM 0 HB2 TRP C 368 11.553 5.674 -5.776 1.00 0.00 H new ATOM 0 HB3 TRP C 368 13.210 5.955 -6.272 1.00 0.00 H new ATOM 0 HD1 TRP C 368 14.882 6.757 -4.467 1.00 0.00 H new ATOM 0 HE1 TRP C 368 14.745 7.365 -1.961 1.00 0.00 H new ATOM 0 HE3 TRP C 368 9.803 6.833 -3.947 1.00 0.00 H new ATOM 0 HZ2 TRP C 368 12.669 7.830 -0.011 1.00 0.00 H new ATOM 0 HZ3 TRP C 368 8.773 7.365 -1.756 1.00 0.00 H new ATOM 0 HH2 TRP C 368 10.198 7.860 0.212 1.00 0.00 H new ATOM 624 N LEU C 369 13.961 8.177 -7.717 1.00 0.00 N ATOM 625 CA LEU C 369 15.155 8.956 -8.046 1.00 0.00 C ATOM 626 C LEU C 369 14.769 10.292 -8.661 1.00 0.00 C ATOM 627 O LEU C 369 15.433 11.304 -8.433 1.00 0.00 O ATOM 628 CB LEU C 369 16.042 8.173 -9.016 1.00 0.00 C ATOM 629 CG LEU C 369 16.508 6.870 -8.352 1.00 0.00 C ATOM 630 CD1 LEU C 369 17.309 6.043 -9.361 1.00 0.00 C ATOM 631 CD2 LEU C 369 17.381 7.169 -7.124 1.00 0.00 C ATOM 0 H LEU C 369 13.837 7.332 -8.275 1.00 0.00 H new ATOM 0 HA LEU C 369 15.709 9.143 -7.126 1.00 0.00 H new ATOM 0 HB2 LEU C 369 15.491 7.950 -9.929 1.00 0.00 H new ATOM 0 HB3 LEU C 369 16.904 8.775 -9.303 1.00 0.00 H new ATOM 0 HG LEU C 369 15.631 6.310 -8.027 1.00 0.00 H new ATOM 0 HD11 LEU C 369 17.641 5.117 -8.891 1.00 0.00 H new ATOM 0 HD12 LEU C 369 16.680 5.809 -10.220 1.00 0.00 H new ATOM 0 HD13 LEU C 369 18.177 6.613 -9.691 1.00 0.00 H new ATOM 0 HD21 LEU C 369 17.701 6.232 -6.668 1.00 0.00 H new ATOM 0 HD22 LEU C 369 18.257 7.741 -7.431 1.00 0.00 H new ATOM 0 HD23 LEU C 369 16.806 7.747 -6.401 1.00 0.00 H new ATOM 643 N GLU C 370 13.696 10.286 -9.438 1.00 0.00 N ATOM 644 CA GLU C 370 13.232 11.504 -10.086 1.00 0.00 C ATOM 645 C GLU C 370 12.775 12.519 -9.043 1.00 0.00 C ATOM 646 O GLU C 370 13.033 13.714 -9.175 1.00 0.00 O ATOM 647 CB GLU C 370 12.072 11.185 -11.032 1.00 0.00 C ATOM 648 CG GLU C 370 11.678 12.447 -11.801 1.00 0.00 C ATOM 649 CD GLU C 370 10.569 12.123 -12.797 1.00 0.00 C ATOM 650 OE1 GLU C 370 9.977 11.064 -12.672 1.00 0.00 O ATOM 651 OE2 GLU C 370 10.334 12.938 -13.675 1.00 0.00 O ATOM 0 H GLU C 370 13.134 9.458 -9.634 1.00 0.00 H new ATOM 0 HA GLU C 370 14.058 11.929 -10.657 1.00 0.00 H new ATOM 0 HB2 GLU C 370 12.363 10.398 -11.728 1.00 0.00 H new ATOM 0 HB3 GLU C 370 11.219 10.811 -10.465 1.00 0.00 H new ATOM 0 HG2 GLU C 370 11.341 13.216 -11.106 1.00 0.00 H new ATOM 0 HG3 GLU C 370 12.545 12.849 -12.326 1.00 0.00 H new ATOM 658 N GLN C 371 12.100 12.035 -8.006 1.00 0.00 N ATOM 659 CA GLN C 371 11.616 12.909 -6.938 1.00 0.00 C ATOM 660 C GLN C 371 12.642 12.999 -5.816 1.00 0.00 C ATOM 661 O GLN C 371 13.090 14.086 -5.457 1.00 0.00 O ATOM 662 CB GLN C 371 10.296 12.376 -6.384 1.00 0.00 C ATOM 663 CG GLN C 371 9.774 13.333 -5.309 1.00 0.00 C ATOM 664 CD GLN C 371 8.365 12.926 -4.891 1.00 0.00 C ATOM 665 OE1 GLN C 371 7.696 12.181 -5.605 1.00 0.00 O ATOM 666 NE2 GLN C 371 7.872 13.375 -3.770 1.00 0.00 N ATOM 0 H GLN C 371 11.875 11.048 -7.880 1.00 0.00 H new ATOM 0 HA GLN C 371 11.458 13.905 -7.352 1.00 0.00 H new ATOM 0 HB2 GLN C 371 9.565 12.279 -7.186 1.00 0.00 H new ATOM 0 HB3 GLN C 371 10.441 11.381 -5.962 1.00 0.00 H new ATOM 0 HG2 GLN C 371 10.437 13.319 -4.444 1.00 0.00 H new ATOM 0 HG3 GLN C 371 9.769 14.354 -5.690 1.00 0.00 H new ATOM 0 HE21 GLN C 371 8.429 13.993 -3.179 1.00 0.00 H new ATOM 0 HE22 GLN C 371 6.930 13.108 -3.484 1.00 0.00 H new ATOM 675 N ASP C 372 13.007 11.846 -5.261 1.00 0.00 N ATOM 676 CA ASP C 372 13.980 11.794 -4.170 1.00 0.00 C ATOM 677 C ASP C 372 15.352 11.466 -4.714 1.00 0.00 C ATOM 678 O ASP C 372 15.794 12.096 -5.671 1.00 0.00 O ATOM 679 CB ASP C 372 13.567 10.742 -3.145 1.00 0.00 C ATOM 680 CG ASP C 372 12.223 11.118 -2.537 1.00 0.00 C ATOM 681 OD1 ASP C 372 11.878 12.286 -2.586 1.00 0.00 O ATOM 682 OD2 ASP C 372 11.562 10.231 -2.028 1.00 0.00 O ATOM 0 H ASP C 372 12.645 10.936 -5.547 1.00 0.00 H new ATOM 0 HA ASP C 372 14.012 12.769 -3.684 1.00 0.00 H new ATOM 0 HB2 ASP C 372 13.501 9.763 -3.620 1.00 0.00 H new ATOM 0 HB3 ASP C 372 14.322 10.666 -2.363 1.00 0.00 H new ATOM 687 N THR C 373 16.018 10.486 -4.094 1.00 0.00 N ATOM 688 CA THR C 373 17.354 10.069 -4.517 1.00 0.00 C ATOM 689 C THR C 373 18.051 9.276 -3.420 1.00 0.00 C ATOM 690 O THR C 373 19.118 8.708 -3.641 1.00 0.00 O ATOM 691 CB THR C 373 18.210 11.306 -4.896 1.00 0.00 C ATOM 692 OG1 THR C 373 17.663 12.474 -4.282 1.00 0.00 O ATOM 693 CG2 THR C 373 18.252 11.505 -6.425 1.00 0.00 C ATOM 0 H THR C 373 15.650 9.967 -3.296 1.00 0.00 H new ATOM 0 HA THR C 373 17.245 9.427 -5.391 1.00 0.00 H new ATOM 0 HB THR C 373 19.227 11.139 -4.541 1.00 0.00 H new ATOM 0 HG1 THR C 373 17.057 12.920 -4.910 1.00 0.00 H new ATOM 0 HG21 THR C 373 18.859 12.379 -6.662 1.00 0.00 H new ATOM 0 HG22 THR C 373 18.687 10.623 -6.895 1.00 0.00 H new ATOM 0 HG23 THR C 373 17.240 11.654 -6.800 1.00 0.00 H new ATOM 701 N SER C 374 17.450 9.248 -2.254 1.00 0.00 N ATOM 702 CA SER C 374 18.018 8.526 -1.121 1.00 0.00 C ATOM 703 C SER C 374 17.496 7.108 -1.079 1.00 0.00 C ATOM 704 O SER C 374 16.523 6.783 -1.760 1.00 0.00 O ATOM 705 CB SER C 374 17.679 9.243 0.183 1.00 0.00 C ATOM 706 OG SER C 374 16.377 8.860 0.606 1.00 0.00 O ATOM 0 H SER C 374 16.565 9.716 -2.057 1.00 0.00 H new ATOM 0 HA SER C 374 19.101 8.496 -1.240 1.00 0.00 H new ATOM 0 HB2 SER C 374 18.411 8.992 0.950 1.00 0.00 H new ATOM 0 HB3 SER C 374 17.724 10.323 0.040 1.00 0.00 H new ATOM 0 HG SER C 374 16.157 9.318 1.444 1.00 0.00 H new ATOM 712 N CYS C 375 18.150 6.264 -0.274 1.00 0.00 N ATOM 713 CA CYS C 375 17.742 4.873 -0.150 1.00 0.00 C ATOM 714 C CYS C 375 16.610 4.729 0.882 1.00 0.00 C ATOM 715 O CYS C 375 16.821 4.952 2.068 1.00 0.00 O ATOM 716 CB CYS C 375 18.918 4.009 0.256 1.00 0.00 C ATOM 717 SG CYS C 375 18.344 2.304 0.469 1.00 0.00 S ATOM 0 H CYS C 375 18.957 6.523 0.294 1.00 0.00 H new ATOM 0 HA CYS C 375 17.377 4.541 -1.122 1.00 0.00 H new ATOM 0 HB2 CYS C 375 19.698 4.052 -0.504 1.00 0.00 H new ATOM 0 HB3 CYS C 375 19.355 4.379 1.183 1.00 0.00 H new ATOM 722 N PRO C 376 15.420 4.367 0.467 1.00 0.00 N ATOM 723 CA PRO C 376 14.257 4.212 1.395 1.00 0.00 C ATOM 724 C PRO C 376 14.582 3.340 2.608 1.00 0.00 C ATOM 725 O PRO C 376 14.029 3.533 3.688 1.00 0.00 O ATOM 726 CB PRO C 376 13.185 3.539 0.519 1.00 0.00 C ATOM 727 CG PRO C 376 13.537 3.895 -0.882 1.00 0.00 C ATOM 728 CD PRO C 376 15.046 4.065 -0.919 1.00 0.00 C ATOM 0 HA PRO C 376 13.946 5.169 1.814 1.00 0.00 H new ATOM 0 HB2 PRO C 376 13.184 2.458 0.661 1.00 0.00 H new ATOM 0 HB3 PRO C 376 12.187 3.895 0.776 1.00 0.00 H new ATOM 0 HG2 PRO C 376 13.218 3.114 -1.572 1.00 0.00 H new ATOM 0 HG3 PRO C 376 13.036 4.814 -1.186 1.00 0.00 H new ATOM 0 HD2 PRO C 376 15.538 3.159 -1.274 1.00 0.00 H new ATOM 0 HD3 PRO C 376 15.337 4.871 -1.593 1.00 0.00 H new ATOM 736 N THR C 377 15.475 2.378 2.412 1.00 0.00 N ATOM 737 CA THR C 377 15.863 1.467 3.492 1.00 0.00 C ATOM 738 C THR C 377 17.170 1.898 4.133 1.00 0.00 C ATOM 739 O THR C 377 17.199 2.289 5.303 1.00 0.00 O ATOM 740 CB THR C 377 16.000 0.044 2.940 1.00 0.00 C ATOM 741 OG1 THR C 377 14.728 -0.417 2.502 1.00 0.00 O ATOM 742 CG2 THR C 377 16.536 -0.880 4.033 1.00 0.00 C ATOM 0 H THR C 377 15.944 2.205 1.523 1.00 0.00 H new ATOM 0 HA THR C 377 15.087 1.493 4.257 1.00 0.00 H new ATOM 0 HB THR C 377 16.694 0.044 2.099 1.00 0.00 H new ATOM 0 HG1 THR C 377 14.833 -1.274 2.038 1.00 0.00 H new ATOM 0 HG21 THR C 377 16.633 -1.892 3.639 1.00 0.00 H new ATOM 0 HG22 THR C 377 17.512 -0.524 4.364 1.00 0.00 H new ATOM 0 HG23 THR C 377 15.846 -0.884 4.877 1.00 0.00 H new ATOM 750 N CYS C 378 18.252 1.808 3.372 1.00 0.00 N ATOM 751 CA CYS C 378 19.564 2.173 3.886 1.00 0.00 C ATOM 752 C CYS C 378 19.587 3.626 4.328 1.00 0.00 C ATOM 753 O CYS C 378 20.433 4.020 5.130 1.00 0.00 O ATOM 754 CB CYS C 378 20.637 1.946 2.821 1.00 0.00 C ATOM 755 SG CYS C 378 20.522 0.263 2.181 1.00 0.00 S ATOM 0 H CYS C 378 18.248 1.488 2.404 1.00 0.00 H new ATOM 0 HA CYS C 378 19.773 1.540 4.748 1.00 0.00 H new ATOM 0 HB2 CYS C 378 20.513 2.662 2.009 1.00 0.00 H new ATOM 0 HB3 CYS C 378 21.626 2.115 3.247 1.00 0.00 H new ATOM 760 N ARG C 379 18.661 4.420 3.791 1.00 0.00 N ATOM 761 CA ARG C 379 18.588 5.843 4.133 1.00 0.00 C ATOM 762 C ARG C 379 19.878 6.549 3.748 1.00 0.00 C ATOM 763 O ARG C 379 20.177 7.623 4.260 1.00 0.00 O ATOM 764 CB ARG C 379 18.330 6.011 5.631 1.00 0.00 C ATOM 765 CG ARG C 379 16.902 5.581 5.956 1.00 0.00 C ATOM 766 CD ARG C 379 16.690 5.642 7.470 1.00 0.00 C ATOM 767 NE ARG C 379 15.325 5.245 7.801 1.00 0.00 N ATOM 768 CZ ARG C 379 14.327 6.121 7.754 1.00 0.00 C ATOM 769 NH1 ARG C 379 14.559 7.357 7.404 1.00 0.00 N ATOM 770 NH2 ARG C 379 13.114 5.745 8.056 1.00 0.00 N ATOM 0 H ARG C 379 17.956 4.107 3.123 1.00 0.00 H new ATOM 0 HA ARG C 379 17.764 6.291 3.577 1.00 0.00 H new ATOM 0 HB2 ARG C 379 19.040 5.412 6.202 1.00 0.00 H new ATOM 0 HB3 ARG C 379 18.483 7.050 5.922 1.00 0.00 H new ATOM 0 HG2 ARG C 379 16.189 6.233 5.451 1.00 0.00 H new ATOM 0 HG3 ARG C 379 16.722 4.569 5.592 1.00 0.00 H new ATOM 0 HD2 ARG C 379 17.400 4.984 7.971 1.00 0.00 H new ATOM 0 HD3 ARG C 379 16.881 6.652 7.832 1.00 0.00 H new ATOM 0 HE ARG C 379 15.134 4.280 8.073 1.00 0.00 H new ATOM 0 HH11 ARG C 379 15.507 7.651 7.166 1.00 0.00 H new ATOM 0 HH12 ARG C 379 13.793 8.029 7.368 1.00 0.00 H new ATOM 0 HH21 ARG C 379 12.932 4.779 8.328 1.00 0.00 H new ATOM 0 HH22 ARG C 379 12.348 6.417 8.020 1.00 0.00 H new ATOM 784 N MET C 380 20.633 5.939 2.838 1.00 0.00 N ATOM 785 CA MET C 380 21.897 6.518 2.384 1.00 0.00 C ATOM 786 C MET C 380 21.757 7.091 0.977 1.00 0.00 C ATOM 787 O MET C 380 21.101 6.509 0.117 1.00 0.00 O ATOM 788 CB MET C 380 22.989 5.448 2.400 1.00 0.00 C ATOM 789 CG MET C 380 23.443 5.194 3.841 1.00 0.00 C ATOM 790 SD MET C 380 24.648 3.847 3.866 1.00 0.00 S ATOM 791 CE MET C 380 25.960 4.679 2.936 1.00 0.00 C ATOM 0 H MET C 380 20.394 5.048 2.402 1.00 0.00 H new ATOM 0 HA MET C 380 22.169 7.328 3.061 1.00 0.00 H new ATOM 0 HB2 MET C 380 22.613 4.525 1.959 1.00 0.00 H new ATOM 0 HB3 MET C 380 23.835 5.770 1.793 1.00 0.00 H new ATOM 0 HG2 MET C 380 23.884 6.099 4.259 1.00 0.00 H new ATOM 0 HG3 MET C 380 22.585 4.940 4.464 1.00 0.00 H new ATOM 0 HE1 MET C 380 26.924 4.243 3.197 1.00 0.00 H new ATOM 0 HE2 MET C 380 25.783 4.555 1.868 1.00 0.00 H new ATOM 0 HE3 MET C 380 25.964 5.741 3.182 1.00 0.00 H new ATOM 801 N SER C 381 22.389 8.237 0.754 1.00 0.00 N ATOM 802 CA SER C 381 22.343 8.883 -0.551 1.00 0.00 C ATOM 803 C SER C 381 23.235 8.140 -1.541 1.00 0.00 C ATOM 804 O SER C 381 24.460 8.223 -1.472 1.00 0.00 O ATOM 805 CB SER C 381 22.805 10.336 -0.437 1.00 0.00 C ATOM 806 OG SER C 381 24.205 10.369 -0.206 1.00 0.00 O ATOM 0 H SER C 381 22.936 8.735 1.456 1.00 0.00 H new ATOM 0 HA SER C 381 21.314 8.861 -0.911 1.00 0.00 H new ATOM 0 HB2 SER C 381 22.563 10.879 -1.351 1.00 0.00 H new ATOM 0 HB3 SER C 381 22.279 10.833 0.378 1.00 0.00 H new ATOM 0 HG SER C 381 24.567 9.460 -0.259 1.00 0.00 H new ATOM 812 N LEU C 382 22.612 7.412 -2.463 1.00 0.00 N ATOM 813 CA LEU C 382 23.363 6.659 -3.460 1.00 0.00 C ATOM 814 C LEU C 382 24.040 7.607 -4.445 1.00 0.00 C ATOM 815 O LEU C 382 23.468 8.623 -4.841 1.00 0.00 O ATOM 816 CB LEU C 382 22.423 5.726 -4.223 1.00 0.00 C ATOM 817 CG LEU C 382 21.186 6.523 -4.729 1.00 0.00 C ATOM 818 CD1 LEU C 382 21.022 6.332 -6.240 1.00 0.00 C ATOM 819 CD2 LEU C 382 19.920 6.026 -4.014 1.00 0.00 C ATOM 0 H LEU C 382 21.598 7.328 -2.540 1.00 0.00 H new ATOM 0 HA LEU C 382 24.126 6.073 -2.948 1.00 0.00 H new ATOM 0 HB2 LEU C 382 22.947 5.277 -5.066 1.00 0.00 H new ATOM 0 HB3 LEU C 382 22.102 4.910 -3.576 1.00 0.00 H new ATOM 0 HG LEU C 382 21.336 7.581 -4.513 1.00 0.00 H new ATOM 0 HD11 LEU C 382 20.154 6.893 -6.586 1.00 0.00 H new ATOM 0 HD12 LEU C 382 21.914 6.693 -6.751 1.00 0.00 H new ATOM 0 HD13 LEU C 382 20.881 5.274 -6.460 1.00 0.00 H new ATOM 0 HD21 LEU C 382 19.056 6.587 -4.371 1.00 0.00 H new ATOM 0 HD22 LEU C 382 19.776 4.966 -4.223 1.00 0.00 H new ATOM 0 HD23 LEU C 382 20.028 6.172 -2.939 1.00 0.00 H new ATOM 831 N ASN C 383 25.264 7.269 -4.834 1.00 0.00 N ATOM 832 CA ASN C 383 26.017 8.098 -5.768 1.00 0.00 C ATOM 833 C ASN C 383 25.566 7.831 -7.201 1.00 0.00 C ATOM 834 O ASN C 383 25.948 6.829 -7.807 1.00 0.00 O ATOM 835 CB ASN C 383 27.512 7.800 -5.640 1.00 0.00 C ATOM 836 CG ASN C 383 27.993 8.148 -4.234 1.00 0.00 C ATOM 837 OD1 ASN C 383 27.961 9.312 -3.836 1.00 0.00 O ATOM 838 ND2 ASN C 383 28.441 7.200 -3.455 1.00 0.00 N ATOM 0 H ASN C 383 25.754 6.432 -4.519 1.00 0.00 H new ATOM 0 HA ASN C 383 25.832 9.145 -5.528 1.00 0.00 H new ATOM 0 HB2 ASN C 383 27.701 6.747 -5.848 1.00 0.00 H new ATOM 0 HB3 ASN C 383 28.071 8.376 -6.378 1.00 0.00 H new ATOM 0 HD21 ASN C 383 28.765 7.424 -2.514 1.00 0.00 H new ATOM 0 HD22 ASN C 383 28.466 6.236 -3.788 1.00 0.00 H new ATOM 845 N ILE C 384 24.755 8.737 -7.738 1.00 0.00 N ATOM 846 CA ILE C 384 24.256 8.596 -9.100 1.00 0.00 C ATOM 847 C ILE C 384 23.684 7.197 -9.316 1.00 0.00 C ATOM 848 O ILE C 384 22.483 7.041 -9.176 1.00 0.00 O ATOM 849 CB ILE C 384 25.389 8.840 -10.098 1.00 0.00 C ATOM 850 CG1 ILE C 384 25.938 10.256 -9.904 1.00 0.00 C ATOM 851 CG2 ILE C 384 24.855 8.696 -11.524 1.00 0.00 C ATOM 852 CD1 ILE C 384 27.233 10.420 -10.702 1.00 0.00 C ATOM 0 H ILE C 384 24.431 9.573 -7.252 1.00 0.00 H new ATOM 0 HA ILE C 384 23.467 9.331 -9.257 1.00 0.00 H new ATOM 0 HB ILE C 384 26.183 8.112 -9.932 1.00 0.00 H new ATOM 0 HG12 ILE C 384 25.202 10.990 -10.232 1.00 0.00 H new ATOM 0 HG13 ILE C 384 26.125 10.442 -8.846 1.00 0.00 H new ATOM 0 HG21 ILE C 384 25.663 8.870 -12.234 1.00 0.00 H new ATOM 0 HG22 ILE C 384 24.459 7.690 -11.664 1.00 0.00 H new ATOM 0 HG23 ILE C 384 24.062 9.425 -11.691 1.00 0.00 H new ATOM 0 HD11 ILE C 384 27.621 11.429 -10.562 1.00 0.00 H new ATOM 0 HD12 ILE C 384 27.969 9.696 -10.353 1.00 0.00 H new ATOM 0 HD13 ILE C 384 27.032 10.252 -11.760 1.00 0.00 H new TER 864 ILE C 384 HETATM 865 ZN ZN C 900 7.362 -1.417 -7.858 1.00 0.00 ZN HETATM 866 ZN ZN C 901 19.098 0.272 0.299 1.00 0.00 ZN