USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=11 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 Set 1.1: C 358 HIS : no HE2:sc= -8.89! C(o=-8.9!,f=-23!) USER MOD Set 1.2: C 377 THR OG1 : rot -140:sc= 0 USER MOD Set 2.1: C 348 MET CE :methyl -144:sc=-0.00656 (180deg=-0.2) USER MOD Set 2.2: C 361 HIS : no HD1:sc= -2.63 K(o=-2.6,f=-1.5) USER MOD Single : C 330 THR OG1 : rot 180:sc= 0.00548 USER MOD Single : C 337 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 338 ASN : amide:sc= -2.2! C(o=-2.2!,f=-6.9!) USER MOD Single : C 347 SER OG : rot -105:sc= -0.0388 USER MOD Single : C 349 GLN : amide:sc= -0.926 K(o=-0.93,f=-2) USER MOD Single : C 353 LYS NZ :NH3+ -162:sc= -0.0277 (180deg=-0.346) USER MOD Single : C 362 ASN : amide:sc= -0.824 K(o=-0.82,f=-3!) USER MOD Single : C 363 SER OG : rot 180:sc= 0 USER MOD Single : C 367 SER OG : rot 180:sc= 0 USER MOD Single : C 371 GLN : amide:sc= -3.84! C(o=-3.8!,f=-5.3!) USER MOD Single : C 373 THR OG1 : rot -93:sc= -0.284! USER MOD Single : C 374 SER OG : rot -87:sc= -0.689 USER MOD Single : C 380 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 381 SER OG : rot 180:sc= 0 USER MOD Single : C 383 ASN : amide:sc= -1.49! C(o=-1.5!,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA C 327 16.402 -0.156 -17.573 1.00 0.00 N ATOM 2 CA ALA C 327 17.770 -0.431 -17.049 1.00 0.00 C ATOM 3 C ALA C 327 17.745 -1.700 -16.206 1.00 0.00 C ATOM 4 O ALA C 327 18.349 -1.756 -15.138 1.00 0.00 O ATOM 5 CB ALA C 327 18.233 0.750 -16.193 1.00 0.00 C ATOM 0 HA ALA C 327 18.461 -0.566 -17.881 1.00 0.00 H new ATOM 0 HB1 ALA C 327 19.233 0.551 -15.809 1.00 0.00 H new ATOM 0 HB2 ALA C 327 18.251 1.655 -16.801 1.00 0.00 H new ATOM 0 HB3 ALA C 327 17.545 0.887 -15.359 1.00 0.00 H new ATOM 11 N VAL C 328 17.049 -2.724 -16.696 1.00 0.00 N ATOM 12 CA VAL C 328 16.953 -3.994 -15.977 1.00 0.00 C ATOM 13 C VAL C 328 17.863 -5.030 -16.616 1.00 0.00 C ATOM 14 O VAL C 328 17.591 -5.521 -17.713 1.00 0.00 O ATOM 15 CB VAL C 328 15.510 -4.504 -16.015 1.00 0.00 C ATOM 16 CG1 VAL C 328 15.413 -5.851 -15.285 1.00 0.00 C ATOM 17 CG2 VAL C 328 14.585 -3.476 -15.347 1.00 0.00 C ATOM 0 H VAL C 328 16.546 -2.701 -17.583 1.00 0.00 H new ATOM 0 HA VAL C 328 17.260 -3.832 -14.944 1.00 0.00 H new ATOM 0 HB VAL C 328 15.203 -4.643 -17.052 1.00 0.00 H new ATOM 0 HG11 VAL C 328 14.384 -6.208 -15.316 1.00 0.00 H new ATOM 0 HG12 VAL C 328 16.064 -6.577 -15.773 1.00 0.00 H new ATOM 0 HG13 VAL C 328 15.723 -5.726 -14.247 1.00 0.00 H new ATOM 0 HG21 VAL C 328 13.558 -3.839 -15.374 1.00 0.00 H new ATOM 0 HG22 VAL C 328 14.891 -3.330 -14.311 1.00 0.00 H new ATOM 0 HG23 VAL C 328 14.649 -2.528 -15.881 1.00 0.00 H new ATOM 27 N ALA C 329 18.949 -5.358 -15.922 1.00 0.00 N ATOM 28 CA ALA C 329 19.911 -6.340 -16.420 1.00 0.00 C ATOM 29 C ALA C 329 19.661 -7.705 -15.790 1.00 0.00 C ATOM 30 O ALA C 329 20.175 -8.719 -16.264 1.00 0.00 O ATOM 31 CB ALA C 329 21.333 -5.885 -16.087 1.00 0.00 C ATOM 0 H ALA C 329 19.186 -4.959 -15.014 1.00 0.00 H new ATOM 0 HA ALA C 329 19.791 -6.422 -17.500 1.00 0.00 H new ATOM 0 HB1 ALA C 329 22.047 -6.620 -16.460 1.00 0.00 H new ATOM 0 HB2 ALA C 329 21.526 -4.921 -16.557 1.00 0.00 H new ATOM 0 HB3 ALA C 329 21.441 -5.790 -15.007 1.00 0.00 H new ATOM 37 N THR C 330 18.881 -7.725 -14.712 1.00 0.00 N ATOM 38 CA THR C 330 18.586 -8.977 -14.020 1.00 0.00 C ATOM 39 C THR C 330 17.463 -9.740 -14.731 1.00 0.00 C ATOM 40 O THR C 330 16.543 -9.124 -15.274 1.00 0.00 O ATOM 41 CB THR C 330 18.167 -8.683 -12.575 1.00 0.00 C ATOM 42 OG1 THR C 330 17.093 -7.753 -12.574 1.00 0.00 O ATOM 43 CG2 THR C 330 19.351 -8.095 -11.805 1.00 0.00 C ATOM 0 H THR C 330 18.446 -6.898 -14.302 1.00 0.00 H new ATOM 0 HA THR C 330 19.485 -9.593 -14.025 1.00 0.00 H new ATOM 0 HB THR C 330 17.849 -9.609 -12.096 1.00 0.00 H new ATOM 0 HG1 THR C 330 16.823 -7.566 -11.651 1.00 0.00 H new ATOM 0 HG21 THR C 330 19.050 -7.887 -10.778 1.00 0.00 H new ATOM 0 HG22 THR C 330 20.175 -8.809 -11.804 1.00 0.00 H new ATOM 0 HG23 THR C 330 19.673 -7.170 -12.283 1.00 0.00 H new ATOM 51 N PRO C 331 17.507 -11.056 -14.735 1.00 0.00 N ATOM 52 CA PRO C 331 16.458 -11.893 -15.396 1.00 0.00 C ATOM 53 C PRO C 331 15.150 -11.913 -14.606 1.00 0.00 C ATOM 54 O PRO C 331 15.128 -11.605 -13.412 1.00 0.00 O ATOM 55 CB PRO C 331 17.095 -13.285 -15.425 1.00 0.00 C ATOM 56 CG PRO C 331 17.957 -13.306 -14.209 1.00 0.00 C ATOM 57 CD PRO C 331 18.552 -11.905 -14.118 1.00 0.00 C ATOM 0 HA PRO C 331 16.184 -11.513 -16.380 1.00 0.00 H new ATOM 0 HB2 PRO C 331 16.341 -14.071 -15.394 1.00 0.00 H new ATOM 0 HB3 PRO C 331 17.679 -13.439 -16.332 1.00 0.00 H new ATOM 0 HG2 PRO C 331 17.376 -13.546 -13.318 1.00 0.00 H new ATOM 0 HG3 PRO C 331 18.738 -14.061 -14.293 1.00 0.00 H new ATOM 0 HD2 PRO C 331 18.748 -11.617 -13.085 1.00 0.00 H new ATOM 0 HD3 PRO C 331 19.498 -11.833 -14.654 1.00 0.00 H new ATOM 65 N GLU C 332 14.068 -12.294 -15.275 1.00 0.00 N ATOM 66 CA GLU C 332 12.767 -12.369 -14.623 1.00 0.00 C ATOM 67 C GLU C 332 12.815 -13.387 -13.494 1.00 0.00 C ATOM 68 O GLU C 332 11.966 -13.392 -12.609 1.00 0.00 O ATOM 69 CB GLU C 332 11.686 -12.769 -15.628 1.00 0.00 C ATOM 70 CG GLU C 332 11.459 -11.624 -16.606 1.00 0.00 C ATOM 71 CD GLU C 332 10.445 -12.036 -17.668 1.00 0.00 C ATOM 72 OE1 GLU C 332 9.949 -13.147 -17.583 1.00 0.00 O ATOM 73 OE2 GLU C 332 10.179 -11.235 -18.547 1.00 0.00 O ATOM 0 H GLU C 332 14.065 -12.554 -16.261 1.00 0.00 H new ATOM 0 HA GLU C 332 12.524 -11.387 -14.218 1.00 0.00 H new ATOM 0 HB2 GLU C 332 11.988 -13.667 -16.166 1.00 0.00 H new ATOM 0 HB3 GLU C 332 10.759 -13.006 -15.107 1.00 0.00 H new ATOM 0 HG2 GLU C 332 11.100 -10.744 -16.071 1.00 0.00 H new ATOM 0 HG3 GLU C 332 12.401 -11.347 -17.079 1.00 0.00 H new ATOM 80 N GLU C 333 13.814 -14.253 -13.532 1.00 0.00 N ATOM 81 CA GLU C 333 13.953 -15.268 -12.503 1.00 0.00 C ATOM 82 C GLU C 333 13.910 -14.635 -11.115 1.00 0.00 C ATOM 83 O GLU C 333 13.107 -15.030 -10.270 1.00 0.00 O ATOM 84 CB GLU C 333 15.278 -16.013 -12.696 1.00 0.00 C ATOM 85 CG GLU C 333 15.187 -16.926 -13.915 1.00 0.00 C ATOM 86 CD GLU C 333 16.517 -17.646 -14.122 1.00 0.00 C ATOM 87 OE1 GLU C 333 17.403 -17.453 -13.307 1.00 0.00 O ATOM 88 OE2 GLU C 333 16.626 -18.380 -15.089 1.00 0.00 O ATOM 0 H GLU C 333 14.533 -14.274 -14.256 1.00 0.00 H new ATOM 0 HA GLU C 333 13.124 -15.970 -12.587 1.00 0.00 H new ATOM 0 HB2 GLU C 333 16.091 -15.299 -12.825 1.00 0.00 H new ATOM 0 HB3 GLU C 333 15.508 -16.600 -11.807 1.00 0.00 H new ATOM 0 HG2 GLU C 333 14.387 -17.653 -13.777 1.00 0.00 H new ATOM 0 HG3 GLU C 333 14.938 -16.342 -14.801 1.00 0.00 H new ATOM 95 N LEU C 334 14.771 -13.650 -10.883 1.00 0.00 N ATOM 96 CA LEU C 334 14.806 -12.974 -9.590 1.00 0.00 C ATOM 97 C LEU C 334 13.539 -12.166 -9.353 1.00 0.00 C ATOM 98 O LEU C 334 12.976 -12.181 -8.260 1.00 0.00 O ATOM 99 CB LEU C 334 16.028 -12.048 -9.517 1.00 0.00 C ATOM 100 CG LEU C 334 16.012 -11.235 -8.212 1.00 0.00 C ATOM 101 CD1 LEU C 334 15.919 -12.177 -7.001 1.00 0.00 C ATOM 102 CD2 LEU C 334 17.304 -10.418 -8.125 1.00 0.00 C ATOM 0 H LEU C 334 15.447 -13.304 -11.564 1.00 0.00 H new ATOM 0 HA LEU C 334 14.875 -13.737 -8.814 1.00 0.00 H new ATOM 0 HB2 LEU C 334 16.943 -12.638 -9.573 1.00 0.00 H new ATOM 0 HB3 LEU C 334 16.031 -11.373 -10.373 1.00 0.00 H new ATOM 0 HG LEU C 334 15.147 -10.572 -8.208 1.00 0.00 H new ATOM 0 HD11 LEU C 334 15.908 -11.589 -6.083 1.00 0.00 H new ATOM 0 HD12 LEU C 334 15.003 -12.764 -7.066 1.00 0.00 H new ATOM 0 HD13 LEU C 334 16.779 -12.846 -6.994 1.00 0.00 H new ATOM 0 HD21 LEU C 334 17.305 -9.836 -7.203 1.00 0.00 H new ATOM 0 HD22 LEU C 334 18.161 -11.091 -8.130 1.00 0.00 H new ATOM 0 HD23 LEU C 334 17.367 -9.744 -8.979 1.00 0.00 H new ATOM 114 N ALA C 335 13.104 -11.445 -10.376 1.00 0.00 N ATOM 115 CA ALA C 335 11.916 -10.618 -10.253 1.00 0.00 C ATOM 116 C ALA C 335 10.688 -11.470 -9.957 1.00 0.00 C ATOM 117 O ALA C 335 9.919 -11.175 -9.041 1.00 0.00 O ATOM 118 CB ALA C 335 11.697 -9.835 -11.545 1.00 0.00 C ATOM 0 H ALA C 335 13.552 -11.416 -11.292 1.00 0.00 H new ATOM 0 HA ALA C 335 12.064 -9.926 -9.424 1.00 0.00 H new ATOM 0 HB1 ALA C 335 10.805 -9.216 -11.449 1.00 0.00 H new ATOM 0 HB2 ALA C 335 12.561 -9.199 -11.736 1.00 0.00 H new ATOM 0 HB3 ALA C 335 11.568 -10.530 -12.374 1.00 0.00 H new ATOM 124 N VAL C 336 10.518 -12.529 -10.730 1.00 0.00 N ATOM 125 CA VAL C 336 9.380 -13.421 -10.558 1.00 0.00 C ATOM 126 C VAL C 336 9.402 -14.038 -9.168 1.00 0.00 C ATOM 127 O VAL C 336 8.377 -14.103 -8.491 1.00 0.00 O ATOM 128 CB VAL C 336 9.427 -14.523 -11.622 1.00 0.00 C ATOM 129 CG1 VAL C 336 8.296 -15.525 -11.367 1.00 0.00 C ATOM 130 CG2 VAL C 336 9.270 -13.899 -13.025 1.00 0.00 C ATOM 0 H VAL C 336 11.153 -12.794 -11.483 1.00 0.00 H new ATOM 0 HA VAL C 336 8.458 -12.850 -10.671 1.00 0.00 H new ATOM 0 HB VAL C 336 10.385 -15.040 -11.569 1.00 0.00 H new ATOM 0 HG11 VAL C 336 8.328 -16.310 -12.123 1.00 0.00 H new ATOM 0 HG12 VAL C 336 8.418 -15.968 -10.379 1.00 0.00 H new ATOM 0 HG13 VAL C 336 7.336 -15.011 -11.418 1.00 0.00 H new ATOM 0 HG21 VAL C 336 9.304 -14.686 -13.779 1.00 0.00 H new ATOM 0 HG22 VAL C 336 8.314 -13.378 -13.087 1.00 0.00 H new ATOM 0 HG23 VAL C 336 10.081 -13.192 -13.202 1.00 0.00 H new ATOM 140 N ASN C 337 10.577 -14.482 -8.745 1.00 0.00 N ATOM 141 CA ASN C 337 10.718 -15.080 -7.428 1.00 0.00 C ATOM 142 C ASN C 337 10.361 -14.062 -6.349 1.00 0.00 C ATOM 143 O ASN C 337 9.741 -14.404 -5.342 1.00 0.00 O ATOM 144 CB ASN C 337 12.152 -15.571 -7.221 1.00 0.00 C ATOM 145 CG ASN C 337 12.311 -16.131 -5.811 1.00 0.00 C ATOM 146 OD1 ASN C 337 12.891 -15.478 -4.945 1.00 0.00 O ATOM 147 ND2 ASN C 337 11.825 -17.309 -5.528 1.00 0.00 N ATOM 0 H ASN C 337 11.438 -14.440 -9.290 1.00 0.00 H new ATOM 0 HA ASN C 337 10.038 -15.929 -7.357 1.00 0.00 H new ATOM 0 HB2 ASN C 337 12.392 -16.339 -7.956 1.00 0.00 H new ATOM 0 HB3 ASN C 337 12.853 -14.751 -7.377 1.00 0.00 H new ATOM 0 HD21 ASN C 337 11.926 -17.690 -4.587 1.00 0.00 H new ATOM 0 HD22 ASN C 337 11.344 -17.849 -6.248 1.00 0.00 H new ATOM 154 N ASN C 338 10.757 -12.804 -6.567 1.00 0.00 N ATOM 155 CA ASN C 338 10.473 -11.735 -5.603 1.00 0.00 C ATOM 156 C ASN C 338 9.464 -10.751 -6.181 1.00 0.00 C ATOM 157 O ASN C 338 9.768 -9.573 -6.367 1.00 0.00 O ATOM 158 CB ASN C 338 11.765 -10.995 -5.256 1.00 0.00 C ATOM 159 CG ASN C 338 11.487 -9.916 -4.213 1.00 0.00 C ATOM 160 OD1 ASN C 338 10.331 -9.564 -3.974 1.00 0.00 O ATOM 161 ND2 ASN C 338 12.484 -9.365 -3.575 1.00 0.00 N ATOM 0 H ASN C 338 11.271 -12.502 -7.395 1.00 0.00 H new ATOM 0 HA ASN C 338 10.054 -12.182 -4.702 1.00 0.00 H new ATOM 0 HB2 ASN C 338 12.505 -11.699 -4.875 1.00 0.00 H new ATOM 0 HB3 ASN C 338 12.187 -10.544 -6.154 1.00 0.00 H new ATOM 0 HD21 ASN C 338 12.306 -8.642 -2.878 1.00 0.00 H new ATOM 0 HD22 ASN C 338 13.441 -9.657 -3.774 1.00 0.00 H new ATOM 168 N ASP C 339 8.261 -11.241 -6.459 1.00 0.00 N ATOM 169 CA ASP C 339 7.212 -10.393 -7.015 1.00 0.00 C ATOM 170 C ASP C 339 6.551 -9.577 -5.911 1.00 0.00 C ATOM 171 O ASP C 339 5.430 -9.868 -5.494 1.00 0.00 O ATOM 172 CB ASP C 339 6.164 -11.259 -7.716 1.00 0.00 C ATOM 173 CG ASP C 339 5.770 -12.428 -6.819 1.00 0.00 C ATOM 174 OD1 ASP C 339 5.009 -12.206 -5.890 1.00 0.00 O ATOM 175 OD2 ASP C 339 6.238 -13.525 -7.070 1.00 0.00 O ATOM 0 H ASP C 339 7.989 -12.213 -6.310 1.00 0.00 H new ATOM 0 HA ASP C 339 7.658 -9.710 -7.738 1.00 0.00 H new ATOM 0 HB2 ASP C 339 5.285 -10.660 -7.954 1.00 0.00 H new ATOM 0 HB3 ASP C 339 6.561 -11.632 -8.660 1.00 0.00 H new ATOM 180 N ASP C 340 7.255 -8.549 -5.448 1.00 0.00 N ATOM 181 CA ASP C 340 6.734 -7.688 -4.392 1.00 0.00 C ATOM 182 C ASP C 340 7.547 -6.401 -4.311 1.00 0.00 C ATOM 183 O ASP C 340 8.775 -6.433 -4.252 1.00 0.00 O ATOM 184 CB ASP C 340 6.788 -8.415 -3.047 1.00 0.00 C ATOM 185 CG ASP C 340 6.127 -7.563 -1.970 1.00 0.00 C ATOM 186 OD1 ASP C 340 5.786 -6.430 -2.265 1.00 0.00 O ATOM 187 OD2 ASP C 340 5.971 -8.058 -0.865 1.00 0.00 O ATOM 0 H ASP C 340 8.183 -8.293 -5.785 1.00 0.00 H new ATOM 0 HA ASP C 340 5.698 -7.441 -4.625 1.00 0.00 H new ATOM 0 HB2 ASP C 340 6.282 -9.377 -3.123 1.00 0.00 H new ATOM 0 HB3 ASP C 340 7.824 -8.620 -2.776 1.00 0.00 H new ATOM 192 N CYS C 341 6.850 -5.267 -4.303 1.00 0.00 N ATOM 193 CA CYS C 341 7.510 -3.963 -4.226 1.00 0.00 C ATOM 194 C CYS C 341 7.453 -3.408 -2.809 1.00 0.00 C ATOM 195 O CYS C 341 6.448 -3.540 -2.123 1.00 0.00 O ATOM 196 CB CYS C 341 6.829 -2.971 -5.173 1.00 0.00 C ATOM 197 SG CYS C 341 7.930 -1.560 -5.454 1.00 0.00 S ATOM 0 H CYS C 341 5.832 -5.223 -4.349 1.00 0.00 H new ATOM 0 HA CYS C 341 8.552 -4.098 -4.516 1.00 0.00 H new ATOM 0 HB2 CYS C 341 6.593 -3.457 -6.120 1.00 0.00 H new ATOM 0 HB3 CYS C 341 5.886 -2.631 -4.746 1.00 0.00 H new ATOM 202 N ALA C 342 8.540 -2.791 -2.373 1.00 0.00 N ATOM 203 CA ALA C 342 8.586 -2.213 -1.033 1.00 0.00 C ATOM 204 C ALA C 342 8.036 -0.783 -1.064 1.00 0.00 C ATOM 205 O ALA C 342 7.559 -0.267 -0.053 1.00 0.00 O ATOM 206 CB ALA C 342 10.030 -2.214 -0.511 1.00 0.00 C ATOM 0 H ALA C 342 9.395 -2.677 -2.918 1.00 0.00 H new ATOM 0 HA ALA C 342 7.970 -2.814 -0.364 1.00 0.00 H new ATOM 0 HB1 ALA C 342 10.056 -1.781 0.489 1.00 0.00 H new ATOM 0 HB2 ALA C 342 10.402 -3.238 -0.473 1.00 0.00 H new ATOM 0 HB3 ALA C 342 10.658 -1.624 -1.178 1.00 0.00 H new ATOM 212 N ILE C 343 8.126 -0.144 -2.234 1.00 0.00 N ATOM 213 CA ILE C 343 7.654 1.233 -2.399 1.00 0.00 C ATOM 214 C ILE C 343 6.201 1.288 -2.869 1.00 0.00 C ATOM 215 O ILE C 343 5.325 1.763 -2.147 1.00 0.00 O ATOM 216 CB ILE C 343 8.535 1.957 -3.419 1.00 0.00 C ATOM 217 CG1 ILE C 343 9.963 2.032 -2.885 1.00 0.00 C ATOM 218 CG2 ILE C 343 8.002 3.374 -3.645 1.00 0.00 C ATOM 219 CD1 ILE C 343 10.897 2.500 -3.999 1.00 0.00 C ATOM 0 H ILE C 343 8.521 -0.557 -3.079 1.00 0.00 H new ATOM 0 HA ILE C 343 7.714 1.720 -1.426 1.00 0.00 H new ATOM 0 HB ILE C 343 8.523 1.412 -4.363 1.00 0.00 H new ATOM 0 HG12 ILE C 343 10.012 2.720 -2.041 1.00 0.00 H new ATOM 0 HG13 ILE C 343 10.278 1.055 -2.518 1.00 0.00 H new ATOM 0 HG21 ILE C 343 8.631 3.888 -4.372 1.00 0.00 H new ATOM 0 HG22 ILE C 343 6.980 3.323 -4.021 1.00 0.00 H new ATOM 0 HG23 ILE C 343 8.014 3.922 -2.703 1.00 0.00 H new ATOM 0 HD11 ILE C 343 11.917 2.554 -3.620 1.00 0.00 H new ATOM 0 HD12 ILE C 343 10.855 1.795 -4.829 1.00 0.00 H new ATOM 0 HD13 ILE C 343 10.586 3.486 -4.345 1.00 0.00 H new ATOM 231 N CYS C 344 5.955 0.826 -4.093 1.00 0.00 N ATOM 232 CA CYS C 344 4.607 0.855 -4.659 1.00 0.00 C ATOM 233 C CYS C 344 3.758 -0.289 -4.119 1.00 0.00 C ATOM 234 O CYS C 344 2.617 -0.477 -4.540 1.00 0.00 O ATOM 235 CB CYS C 344 4.683 0.765 -6.187 1.00 0.00 C ATOM 236 SG CYS C 344 5.234 -0.892 -6.669 1.00 0.00 S ATOM 0 H CYS C 344 6.665 0.430 -4.709 1.00 0.00 H new ATOM 0 HA CYS C 344 4.138 1.795 -4.369 1.00 0.00 H new ATOM 0 HB2 CYS C 344 3.707 0.976 -6.623 1.00 0.00 H new ATOM 0 HB3 CYS C 344 5.373 1.516 -6.572 1.00 0.00 H new ATOM 241 N TRP C 345 4.319 -1.053 -3.189 1.00 0.00 N ATOM 242 CA TRP C 345 3.598 -2.178 -2.598 1.00 0.00 C ATOM 243 C TRP C 345 2.816 -2.944 -3.662 1.00 0.00 C ATOM 244 O TRP C 345 1.831 -3.619 -3.355 1.00 0.00 O ATOM 245 CB TRP C 345 2.645 -1.675 -1.516 1.00 0.00 C ATOM 246 CG TRP C 345 1.989 -2.843 -0.861 1.00 0.00 C ATOM 247 CD1 TRP C 345 2.622 -3.771 -0.106 1.00 0.00 C ATOM 248 CD2 TRP C 345 0.585 -3.226 -0.887 1.00 0.00 C ATOM 249 NE1 TRP C 345 1.696 -4.700 0.329 1.00 0.00 N ATOM 250 CE2 TRP C 345 0.425 -4.406 -0.125 1.00 0.00 C ATOM 251 CE3 TRP C 345 -0.553 -2.667 -1.494 1.00 0.00 C ATOM 252 CZ2 TRP C 345 -0.821 -5.011 0.031 1.00 0.00 C ATOM 253 CZ3 TRP C 345 -1.810 -3.274 -1.340 1.00 0.00 C ATOM 254 CH2 TRP C 345 -1.944 -4.445 -0.579 1.00 0.00 C ATOM 0 H TRP C 345 5.264 -0.917 -2.829 1.00 0.00 H new ATOM 0 HA TRP C 345 4.327 -2.855 -2.153 1.00 0.00 H new ATOM 0 HB2 TRP C 345 3.191 -1.088 -0.778 1.00 0.00 H new ATOM 0 HB3 TRP C 345 1.893 -1.018 -1.953 1.00 0.00 H new ATOM 0 HD1 TRP C 345 3.678 -3.783 0.120 1.00 0.00 H new ATOM 0 HE1 TRP C 345 1.923 -5.504 0.914 1.00 0.00 H new ATOM 0 HE3 TRP C 345 -0.460 -1.766 -2.082 1.00 0.00 H new ATOM 0 HZ2 TRP C 345 -0.918 -5.911 0.619 1.00 0.00 H new ATOM 0 HZ3 TRP C 345 -2.679 -2.837 -1.810 1.00 0.00 H new ATOM 0 HH2 TRP C 345 -2.913 -4.908 -0.465 1.00 0.00 H new ATOM 265 N ASP C 346 3.260 -2.838 -4.914 1.00 0.00 N ATOM 266 CA ASP C 346 2.600 -3.524 -6.027 1.00 0.00 C ATOM 267 C ASP C 346 3.436 -4.718 -6.488 1.00 0.00 C ATOM 268 O ASP C 346 4.302 -5.201 -5.761 1.00 0.00 O ATOM 269 CB ASP C 346 2.402 -2.546 -7.192 1.00 0.00 C ATOM 270 CG ASP C 346 1.307 -3.047 -8.132 1.00 0.00 C ATOM 271 OD1 ASP C 346 0.315 -3.552 -7.634 1.00 0.00 O ATOM 272 OD2 ASP C 346 1.479 -2.918 -9.332 1.00 0.00 O ATOM 0 H ASP C 346 4.073 -2.284 -5.184 1.00 0.00 H new ATOM 0 HA ASP C 346 1.629 -3.887 -5.690 1.00 0.00 H new ATOM 0 HB2 ASP C 346 2.136 -1.562 -6.807 1.00 0.00 H new ATOM 0 HB3 ASP C 346 3.337 -2.432 -7.741 1.00 0.00 H new ATOM 277 N SER C 347 3.164 -5.190 -7.703 1.00 0.00 N ATOM 278 CA SER C 347 3.891 -6.327 -8.266 1.00 0.00 C ATOM 279 C SER C 347 3.935 -6.228 -9.790 1.00 0.00 C ATOM 280 O SER C 347 2.891 -6.206 -10.445 1.00 0.00 O ATOM 281 CB SER C 347 3.203 -7.628 -7.855 1.00 0.00 C ATOM 282 OG SER C 347 3.175 -7.713 -6.436 1.00 0.00 O ATOM 0 H SER C 347 2.446 -4.804 -8.316 1.00 0.00 H new ATOM 0 HA SER C 347 4.912 -6.317 -7.884 1.00 0.00 H new ATOM 0 HB2 SER C 347 2.189 -7.659 -8.253 1.00 0.00 H new ATOM 0 HB3 SER C 347 3.735 -8.483 -8.272 1.00 0.00 H new ATOM 0 HG SER C 347 3.847 -8.359 -6.134 1.00 0.00 H new ATOM 288 N MET C 348 5.140 -6.171 -10.356 1.00 0.00 N ATOM 289 CA MET C 348 5.298 -6.078 -11.809 1.00 0.00 C ATOM 290 C MET C 348 6.567 -6.799 -12.247 1.00 0.00 C ATOM 291 O MET C 348 7.411 -7.148 -11.422 1.00 0.00 O ATOM 292 CB MET C 348 5.376 -4.615 -12.254 1.00 0.00 C ATOM 293 CG MET C 348 4.132 -3.862 -11.774 1.00 0.00 C ATOM 294 SD MET C 348 4.113 -2.195 -12.484 1.00 0.00 S ATOM 295 CE MET C 348 5.369 -1.453 -11.412 1.00 0.00 C ATOM 0 H MET C 348 6.017 -6.187 -9.835 1.00 0.00 H new ATOM 0 HA MET C 348 4.430 -6.547 -12.272 1.00 0.00 H new ATOM 0 HB2 MET C 348 6.274 -4.149 -11.848 1.00 0.00 H new ATOM 0 HB3 MET C 348 5.450 -4.559 -13.340 1.00 0.00 H new ATOM 0 HG2 MET C 348 3.232 -4.403 -12.068 1.00 0.00 H new ATOM 0 HG3 MET C 348 4.128 -3.804 -10.686 1.00 0.00 H new ATOM 0 HE1 MET C 348 5.102 -0.417 -11.202 1.00 0.00 H new ATOM 0 HE2 MET C 348 5.424 -2.010 -10.477 1.00 0.00 H new ATOM 0 HE3 MET C 348 6.338 -1.484 -11.911 1.00 0.00 H new ATOM 305 N GLN C 349 6.694 -7.023 -13.549 1.00 0.00 N ATOM 306 CA GLN C 349 7.860 -7.703 -14.085 1.00 0.00 C ATOM 307 C GLN C 349 9.110 -6.834 -13.956 1.00 0.00 C ATOM 308 O GLN C 349 10.205 -7.341 -13.716 1.00 0.00 O ATOM 309 CB GLN C 349 7.623 -8.045 -15.555 1.00 0.00 C ATOM 310 CG GLN C 349 8.726 -8.981 -16.050 1.00 0.00 C ATOM 311 CD GLN C 349 8.587 -10.349 -15.387 1.00 0.00 C ATOM 312 OE1 GLN C 349 9.335 -10.672 -14.465 1.00 0.00 O ATOM 313 NE2 GLN C 349 7.668 -11.175 -15.805 1.00 0.00 N ATOM 0 H GLN C 349 6.006 -6.744 -14.248 1.00 0.00 H new ATOM 0 HA GLN C 349 8.017 -8.617 -13.513 1.00 0.00 H new ATOM 0 HB2 GLN C 349 6.649 -8.519 -15.676 1.00 0.00 H new ATOM 0 HB3 GLN C 349 7.610 -7.134 -16.153 1.00 0.00 H new ATOM 0 HG2 GLN C 349 8.667 -9.085 -17.133 1.00 0.00 H new ATOM 0 HG3 GLN C 349 9.704 -8.556 -15.824 1.00 0.00 H new ATOM 0 HE21 GLN C 349 7.049 -10.905 -16.569 1.00 0.00 H new ATOM 0 HE22 GLN C 349 7.568 -12.091 -15.367 1.00 0.00 H new ATOM 322 N ALA C 350 8.942 -5.527 -14.128 1.00 0.00 N ATOM 323 CA ALA C 350 10.071 -4.614 -14.038 1.00 0.00 C ATOM 324 C ALA C 350 10.771 -4.765 -12.696 1.00 0.00 C ATOM 325 O ALA C 350 10.148 -4.662 -11.640 1.00 0.00 O ATOM 326 CB ALA C 350 9.592 -3.173 -14.214 1.00 0.00 C ATOM 0 H ALA C 350 8.046 -5.082 -14.328 1.00 0.00 H new ATOM 0 HA ALA C 350 10.778 -4.857 -14.831 1.00 0.00 H new ATOM 0 HB1 ALA C 350 10.443 -2.496 -14.145 1.00 0.00 H new ATOM 0 HB2 ALA C 350 9.119 -3.063 -15.190 1.00 0.00 H new ATOM 0 HB3 ALA C 350 8.872 -2.931 -13.432 1.00 0.00 H new ATOM 332 N ALA C 351 12.076 -5.016 -12.747 1.00 0.00 N ATOM 333 CA ALA C 351 12.872 -5.190 -11.535 1.00 0.00 C ATOM 334 C ALA C 351 14.251 -4.572 -11.712 1.00 0.00 C ATOM 335 O ALA C 351 14.882 -4.728 -12.752 1.00 0.00 O ATOM 336 CB ALA C 351 13.009 -6.679 -11.223 1.00 0.00 C ATOM 0 H ALA C 351 12.605 -5.104 -13.615 1.00 0.00 H new ATOM 0 HA ALA C 351 12.369 -4.689 -10.708 1.00 0.00 H new ATOM 0 HB1 ALA C 351 13.603 -6.808 -10.318 1.00 0.00 H new ATOM 0 HB2 ALA C 351 12.020 -7.112 -11.072 1.00 0.00 H new ATOM 0 HB3 ALA C 351 13.502 -7.181 -12.055 1.00 0.00 H new ATOM 342 N ARG C 352 14.710 -3.871 -10.682 1.00 0.00 N ATOM 343 CA ARG C 352 16.020 -3.231 -10.722 1.00 0.00 C ATOM 344 C ARG C 352 16.650 -3.259 -9.338 1.00 0.00 C ATOM 345 O ARG C 352 15.947 -3.219 -8.332 1.00 0.00 O ATOM 346 CB ARG C 352 15.893 -1.787 -11.223 1.00 0.00 C ATOM 347 CG ARG C 352 17.285 -1.135 -11.301 1.00 0.00 C ATOM 348 CD ARG C 352 17.318 -0.108 -12.438 1.00 0.00 C ATOM 349 NE ARG C 352 18.496 0.739 -12.309 1.00 0.00 N ATOM 350 CZ ARG C 352 19.680 0.337 -12.758 1.00 0.00 C ATOM 351 NH1 ARG C 352 19.800 -0.840 -13.307 1.00 0.00 N ATOM 352 NH2 ARG C 352 20.720 1.114 -12.640 1.00 0.00 N ATOM 0 H ARG C 352 14.197 -3.731 -9.812 1.00 0.00 H new ATOM 0 HA ARG C 352 16.661 -3.779 -11.413 1.00 0.00 H new ATOM 0 HB2 ARG C 352 15.420 -1.774 -12.205 1.00 0.00 H new ATOM 0 HB3 ARG C 352 15.251 -1.215 -10.553 1.00 0.00 H new ATOM 0 HG2 ARG C 352 17.522 -0.650 -10.354 1.00 0.00 H new ATOM 0 HG3 ARG C 352 18.045 -1.899 -11.467 1.00 0.00 H new ATOM 0 HD2 ARG C 352 17.331 -0.619 -13.401 1.00 0.00 H new ATOM 0 HD3 ARG C 352 16.416 0.503 -12.414 1.00 0.00 H new ATOM 0 HE ARG C 352 18.411 1.654 -11.867 1.00 0.00 H new ATOM 0 HH11 ARG C 352 18.986 -1.449 -13.391 1.00 0.00 H new ATOM 0 HH12 ARG C 352 20.708 -1.151 -13.653 1.00 0.00 H new ATOM 0 HH21 ARG C 352 20.625 2.031 -12.203 1.00 0.00 H new ATOM 0 HH22 ARG C 352 21.629 0.805 -12.985 1.00 0.00 H new ATOM 366 N LYS C 353 17.980 -3.344 -9.286 1.00 0.00 N ATOM 367 CA LYS C 353 18.692 -3.390 -8.010 1.00 0.00 C ATOM 368 C LYS C 353 19.455 -2.095 -7.763 1.00 0.00 C ATOM 369 O LYS C 353 20.280 -1.687 -8.581 1.00 0.00 O ATOM 370 CB LYS C 353 19.667 -4.573 -8.000 1.00 0.00 C ATOM 371 CG LYS C 353 20.421 -4.609 -6.670 1.00 0.00 C ATOM 372 CD LYS C 353 21.273 -5.878 -6.602 1.00 0.00 C ATOM 373 CE LYS C 353 22.001 -5.929 -5.259 1.00 0.00 C ATOM 374 NZ LYS C 353 23.008 -4.833 -5.200 1.00 0.00 N ATOM 0 H LYS C 353 18.582 -3.382 -10.108 1.00 0.00 H new ATOM 0 HA LYS C 353 17.958 -3.514 -7.214 1.00 0.00 H new ATOM 0 HB2 LYS C 353 19.123 -5.506 -8.146 1.00 0.00 H new ATOM 0 HB3 LYS C 353 20.372 -4.483 -8.826 1.00 0.00 H new ATOM 0 HG2 LYS C 353 21.054 -3.727 -6.575 1.00 0.00 H new ATOM 0 HG3 LYS C 353 19.716 -4.586 -5.839 1.00 0.00 H new ATOM 0 HD2 LYS C 353 20.643 -6.759 -6.720 1.00 0.00 H new ATOM 0 HD3 LYS C 353 21.994 -5.890 -7.420 1.00 0.00 H new ATOM 0 HE2 LYS C 353 21.287 -5.826 -4.442 1.00 0.00 H new ATOM 0 HE3 LYS C 353 22.491 -6.895 -5.135 1.00 0.00 H new ATOM 0 HZ1 LYS C 353 23.700 -5.037 -4.451 1.00 0.00 H new ATOM 0 HZ2 LYS C 353 23.499 -4.763 -6.114 1.00 0.00 H new ATOM 0 HZ3 LYS C 353 22.530 -3.933 -4.994 1.00 0.00 H new ATOM 388 N LEU C 354 19.178 -1.458 -6.629 1.00 0.00 N ATOM 389 CA LEU C 354 19.849 -0.210 -6.273 1.00 0.00 C ATOM 390 C LEU C 354 21.341 -0.480 -6.010 1.00 0.00 C ATOM 391 O LEU C 354 21.722 -1.598 -5.657 1.00 0.00 O ATOM 392 CB LEU C 354 19.189 0.377 -5.004 1.00 0.00 C ATOM 393 CG LEU C 354 17.956 1.230 -5.364 1.00 0.00 C ATOM 394 CD1 LEU C 354 17.009 1.298 -4.154 1.00 0.00 C ATOM 395 CD2 LEU C 354 18.377 2.658 -5.738 1.00 0.00 C ATOM 0 H LEU C 354 18.497 -1.783 -5.943 1.00 0.00 H new ATOM 0 HA LEU C 354 19.758 0.502 -7.093 1.00 0.00 H new ATOM 0 HB2 LEU C 354 18.893 -0.432 -4.337 1.00 0.00 H new ATOM 0 HB3 LEU C 354 19.912 0.987 -4.463 1.00 0.00 H new ATOM 0 HG LEU C 354 17.454 0.769 -6.215 1.00 0.00 H new ATOM 0 HD11 LEU C 354 16.137 1.901 -4.408 1.00 0.00 H new ATOM 0 HD12 LEU C 354 16.688 0.291 -3.886 1.00 0.00 H new ATOM 0 HD13 LEU C 354 17.529 1.750 -3.310 1.00 0.00 H new ATOM 0 HD21 LEU C 354 17.493 3.244 -5.989 1.00 0.00 H new ATOM 0 HD22 LEU C 354 18.890 3.119 -4.894 1.00 0.00 H new ATOM 0 HD23 LEU C 354 19.047 2.627 -6.597 1.00 0.00 H new ATOM 407 N PRO C 355 22.185 0.512 -6.160 1.00 0.00 N ATOM 408 CA PRO C 355 23.655 0.366 -5.919 1.00 0.00 C ATOM 409 C PRO C 355 23.959 -0.008 -4.462 1.00 0.00 C ATOM 410 O PRO C 355 25.037 -0.517 -4.158 1.00 0.00 O ATOM 411 CB PRO C 355 24.222 1.753 -6.287 1.00 0.00 C ATOM 412 CG PRO C 355 23.058 2.685 -6.163 1.00 0.00 C ATOM 413 CD PRO C 355 21.843 1.874 -6.581 1.00 0.00 C ATOM 0 HA PRO C 355 24.100 -0.438 -6.506 1.00 0.00 H new ATOM 0 HB2 PRO C 355 25.032 2.040 -5.617 1.00 0.00 H new ATOM 0 HB3 PRO C 355 24.628 1.759 -7.299 1.00 0.00 H new ATOM 0 HG2 PRO C 355 22.954 3.049 -5.141 1.00 0.00 H new ATOM 0 HG3 PRO C 355 23.185 3.559 -6.802 1.00 0.00 H new ATOM 0 HD2 PRO C 355 20.935 2.230 -6.094 1.00 0.00 H new ATOM 0 HD3 PRO C 355 21.671 1.932 -7.656 1.00 0.00 H new ATOM 421 N CYS C 356 23.002 0.248 -3.569 1.00 0.00 N ATOM 422 CA CYS C 356 23.185 -0.072 -2.152 1.00 0.00 C ATOM 423 C CYS C 356 22.917 -1.559 -1.884 1.00 0.00 C ATOM 424 O CYS C 356 23.760 -2.252 -1.313 1.00 0.00 O ATOM 425 CB CYS C 356 22.247 0.782 -1.292 1.00 0.00 C ATOM 426 SG CYS C 356 20.526 0.384 -1.684 1.00 0.00 S ATOM 0 H CYS C 356 22.102 0.671 -3.797 1.00 0.00 H new ATOM 0 HA CYS C 356 24.220 0.147 -1.889 1.00 0.00 H new ATOM 0 HB2 CYS C 356 22.441 0.600 -0.235 1.00 0.00 H new ATOM 0 HB3 CYS C 356 22.436 1.840 -1.473 1.00 0.00 H new ATOM 431 N GLY C 357 21.744 -2.043 -2.294 1.00 0.00 N ATOM 432 CA GLY C 357 21.384 -3.454 -2.089 1.00 0.00 C ATOM 433 C GLY C 357 19.880 -3.616 -1.860 1.00 0.00 C ATOM 434 O GLY C 357 19.457 -4.208 -0.863 1.00 0.00 O ATOM 0 H GLY C 357 21.030 -1.488 -2.766 1.00 0.00 H new ATOM 0 HA2 GLY C 357 21.687 -4.039 -2.958 1.00 0.00 H new ATOM 0 HA3 GLY C 357 21.929 -3.850 -1.232 1.00 0.00 H new ATOM 438 N HIS C 358 19.081 -3.109 -2.803 1.00 0.00 N ATOM 439 CA HIS C 358 17.619 -3.208 -2.716 1.00 0.00 C ATOM 440 C HIS C 358 17.029 -3.433 -4.105 1.00 0.00 C ATOM 441 O HIS C 358 17.544 -2.905 -5.085 1.00 0.00 O ATOM 442 CB HIS C 358 17.050 -1.924 -2.115 1.00 0.00 C ATOM 443 CG HIS C 358 17.401 -1.865 -0.659 1.00 0.00 C ATOM 444 ND1 HIS C 358 18.583 -1.305 -0.205 1.00 0.00 N ATOM 445 CD2 HIS C 358 16.742 -2.307 0.458 1.00 0.00 C ATOM 446 CE1 HIS C 358 18.601 -1.426 1.133 1.00 0.00 C ATOM 447 NE2 HIS C 358 17.500 -2.030 1.590 1.00 0.00 N ATOM 0 H HIS C 358 19.420 -2.626 -3.635 1.00 0.00 H new ATOM 0 HA HIS C 358 17.356 -4.051 -2.077 1.00 0.00 H new ATOM 0 HB2 HIS C 358 17.454 -1.055 -2.634 1.00 0.00 H new ATOM 0 HB3 HIS C 358 15.968 -1.897 -2.242 1.00 0.00 H new ATOM 0 HD1 HIS C 358 19.308 -0.878 -0.781 1.00 0.00 H new ATOM 0 HD2 HIS C 358 15.779 -2.797 0.459 1.00 0.00 H new ATOM 0 HE1 HIS C 358 19.407 -1.078 1.762 1.00 0.00 H new ATOM 455 N LEU C 359 15.959 -4.230 -4.189 1.00 0.00 N ATOM 456 CA LEU C 359 15.330 -4.538 -5.479 1.00 0.00 C ATOM 457 C LEU C 359 14.074 -3.713 -5.697 1.00 0.00 C ATOM 458 O LEU C 359 13.069 -3.927 -5.031 1.00 0.00 O ATOM 459 CB LEU C 359 14.932 -6.012 -5.494 1.00 0.00 C ATOM 460 CG LEU C 359 16.148 -6.882 -5.177 1.00 0.00 C ATOM 461 CD1 LEU C 359 15.696 -8.339 -5.086 1.00 0.00 C ATOM 462 CD2 LEU C 359 17.203 -6.734 -6.282 1.00 0.00 C ATOM 0 H LEU C 359 15.512 -4.671 -3.385 1.00 0.00 H new ATOM 0 HA LEU C 359 16.047 -4.307 -6.267 1.00 0.00 H new ATOM 0 HB2 LEU C 359 14.144 -6.192 -4.763 1.00 0.00 H new ATOM 0 HB3 LEU C 359 14.528 -6.279 -6.470 1.00 0.00 H new ATOM 0 HG LEU C 359 16.589 -6.568 -4.231 1.00 0.00 H new ATOM 0 HD11 LEU C 359 16.554 -8.973 -4.860 1.00 0.00 H new ATOM 0 HD12 LEU C 359 14.952 -8.440 -4.296 1.00 0.00 H new ATOM 0 HD13 LEU C 359 15.260 -8.645 -6.037 1.00 0.00 H new ATOM 0 HD21 LEU C 359 18.066 -7.358 -6.047 1.00 0.00 H new ATOM 0 HD22 LEU C 359 16.778 -7.047 -7.235 1.00 0.00 H new ATOM 0 HD23 LEU C 359 17.516 -5.692 -6.349 1.00 0.00 H new ATOM 474 N PHE C 360 14.141 -2.785 -6.647 1.00 0.00 N ATOM 475 CA PHE C 360 13.009 -1.909 -6.964 1.00 0.00 C ATOM 476 C PHE C 360 12.692 -1.971 -8.453 1.00 0.00 C ATOM 477 O PHE C 360 13.569 -2.202 -9.284 1.00 0.00 O ATOM 478 CB PHE C 360 13.397 -0.478 -6.570 1.00 0.00 C ATOM 479 CG PHE C 360 13.314 -0.222 -5.063 1.00 0.00 C ATOM 480 CD1 PHE C 360 12.727 -1.125 -4.140 1.00 0.00 C ATOM 481 CD2 PHE C 360 13.930 0.929 -4.577 1.00 0.00 C ATOM 482 CE1 PHE C 360 12.752 -0.848 -2.775 1.00 0.00 C ATOM 483 CE2 PHE C 360 13.947 1.202 -3.211 1.00 0.00 C ATOM 484 CZ PHE C 360 13.351 0.318 -2.309 1.00 0.00 C ATOM 0 H PHE C 360 14.971 -2.617 -7.216 1.00 0.00 H new ATOM 0 HA PHE C 360 12.122 -2.229 -6.417 1.00 0.00 H new ATOM 0 HB2 PHE C 360 14.413 -0.278 -6.910 1.00 0.00 H new ATOM 0 HB3 PHE C 360 12.743 0.224 -7.087 1.00 0.00 H new ATOM 0 HD1 PHE C 360 12.259 -2.031 -4.497 1.00 0.00 H new ATOM 0 HD2 PHE C 360 14.399 1.616 -5.266 1.00 0.00 H new ATOM 0 HE1 PHE C 360 12.305 -1.540 -2.077 1.00 0.00 H new ATOM 0 HE2 PHE C 360 14.423 2.101 -2.848 1.00 0.00 H new ATOM 0 HZ PHE C 360 13.355 0.539 -1.252 1.00 0.00 H new ATOM 494 N HIS C 361 11.420 -1.759 -8.774 1.00 0.00 N ATOM 495 CA HIS C 361 10.968 -1.792 -10.155 1.00 0.00 C ATOM 496 C HIS C 361 11.478 -0.572 -10.910 1.00 0.00 C ATOM 497 O HIS C 361 11.869 0.429 -10.311 1.00 0.00 O ATOM 498 CB HIS C 361 9.440 -1.828 -10.192 1.00 0.00 C ATOM 499 CG HIS C 361 8.955 -3.028 -9.426 1.00 0.00 C ATOM 500 ND1 HIS C 361 7.637 -3.156 -9.012 1.00 0.00 N ATOM 501 CD2 HIS C 361 9.586 -4.184 -9.028 1.00 0.00 C ATOM 502 CE1 HIS C 361 7.519 -4.353 -8.404 1.00 0.00 C ATOM 503 NE2 HIS C 361 8.677 -5.017 -8.384 1.00 0.00 N ATOM 0 H HIS C 361 10.685 -1.563 -8.094 1.00 0.00 H new ATOM 0 HA HIS C 361 11.363 -2.687 -10.636 1.00 0.00 H new ATOM 0 HB2 HIS C 361 9.032 -0.915 -9.758 1.00 0.00 H new ATOM 0 HB3 HIS C 361 9.090 -1.874 -11.223 1.00 0.00 H new ATOM 0 HD2 HIS C 361 10.629 -4.410 -9.191 1.00 0.00 H new ATOM 0 HE1 HIS C 361 6.598 -4.730 -7.984 1.00 0.00 H new ATOM 0 HE2 HIS C 361 8.857 -5.937 -7.983 1.00 0.00 H new ATOM 511 N ASN C 362 11.482 -0.666 -12.229 1.00 0.00 N ATOM 512 CA ASN C 362 11.961 0.428 -13.054 1.00 0.00 C ATOM 513 C ASN C 362 11.111 1.673 -12.834 1.00 0.00 C ATOM 514 O ASN C 362 11.638 2.776 -12.688 1.00 0.00 O ATOM 515 CB ASN C 362 11.908 0.015 -14.523 1.00 0.00 C ATOM 516 CG ASN C 362 12.345 1.175 -15.404 1.00 0.00 C ATOM 517 OD1 ASN C 362 11.659 2.194 -15.472 1.00 0.00 O ATOM 518 ND2 ASN C 362 13.455 1.082 -16.082 1.00 0.00 N ATOM 0 H ASN C 362 11.161 -1.483 -12.748 1.00 0.00 H new ATOM 0 HA ASN C 362 12.989 0.659 -12.776 1.00 0.00 H new ATOM 0 HB2 ASN C 362 12.556 -0.845 -14.691 1.00 0.00 H new ATOM 0 HB3 ASN C 362 10.896 -0.292 -14.787 1.00 0.00 H new ATOM 0 HD21 ASN C 362 13.758 1.856 -16.672 1.00 0.00 H new ATOM 0 HD22 ASN C 362 14.020 0.235 -16.022 1.00 0.00 H new ATOM 525 N SER C 363 9.796 1.490 -12.803 1.00 0.00 N ATOM 526 CA SER C 363 8.887 2.606 -12.591 1.00 0.00 C ATOM 527 C SER C 363 8.972 3.126 -11.160 1.00 0.00 C ATOM 528 O SER C 363 8.971 4.336 -10.924 1.00 0.00 O ATOM 529 CB SER C 363 7.453 2.167 -12.886 1.00 0.00 C ATOM 530 OG SER C 363 7.307 1.947 -14.283 1.00 0.00 O ATOM 0 H SER C 363 9.340 0.586 -12.921 1.00 0.00 H new ATOM 0 HA SER C 363 9.178 3.410 -13.267 1.00 0.00 H new ATOM 0 HB2 SER C 363 7.219 1.255 -12.336 1.00 0.00 H new ATOM 0 HB3 SER C 363 6.751 2.930 -12.551 1.00 0.00 H new ATOM 0 HG SER C 363 6.389 1.664 -14.475 1.00 0.00 H new ATOM 536 N CYS C 364 9.040 2.203 -10.208 1.00 0.00 N ATOM 537 CA CYS C 364 9.116 2.576 -8.801 1.00 0.00 C ATOM 538 C CYS C 364 10.448 3.245 -8.488 1.00 0.00 C ATOM 539 O CYS C 364 10.494 4.282 -7.824 1.00 0.00 O ATOM 540 CB CYS C 364 8.963 1.336 -7.924 1.00 0.00 C ATOM 541 SG CYS C 364 7.354 0.574 -8.240 1.00 0.00 S ATOM 0 H CYS C 364 9.044 1.198 -10.383 1.00 0.00 H new ATOM 0 HA CYS C 364 8.309 3.279 -8.594 1.00 0.00 H new ATOM 0 HB2 CYS C 364 9.762 0.626 -8.136 1.00 0.00 H new ATOM 0 HB3 CYS C 364 9.049 1.608 -6.872 1.00 0.00 H new ATOM 546 N LEU C 365 11.532 2.641 -8.966 1.00 0.00 N ATOM 547 CA LEU C 365 12.860 3.187 -8.724 1.00 0.00 C ATOM 548 C LEU C 365 13.008 4.561 -9.364 1.00 0.00 C ATOM 549 O LEU C 365 13.474 5.504 -8.733 1.00 0.00 O ATOM 550 CB LEU C 365 13.923 2.232 -9.286 1.00 0.00 C ATOM 551 CG LEU C 365 15.324 2.879 -9.241 1.00 0.00 C ATOM 552 CD1 LEU C 365 15.645 3.379 -7.830 1.00 0.00 C ATOM 553 CD2 LEU C 365 16.385 1.842 -9.657 1.00 0.00 C ATOM 0 H LEU C 365 11.517 1.783 -9.517 1.00 0.00 H new ATOM 0 HA LEU C 365 12.998 3.294 -7.648 1.00 0.00 H new ATOM 0 HB2 LEU C 365 13.927 1.306 -8.710 1.00 0.00 H new ATOM 0 HB3 LEU C 365 13.673 1.967 -10.313 1.00 0.00 H new ATOM 0 HG LEU C 365 15.334 3.725 -9.929 1.00 0.00 H new ATOM 0 HD11 LEU C 365 16.637 3.831 -7.821 1.00 0.00 H new ATOM 0 HD12 LEU C 365 14.905 4.121 -7.530 1.00 0.00 H new ATOM 0 HD13 LEU C 365 15.622 2.541 -7.133 1.00 0.00 H new ATOM 0 HD21 LEU C 365 17.374 2.300 -9.625 1.00 0.00 H new ATOM 0 HD22 LEU C 365 16.355 0.995 -8.971 1.00 0.00 H new ATOM 0 HD23 LEU C 365 16.178 1.496 -10.670 1.00 0.00 H new ATOM 565 N ARG C 366 12.599 4.667 -10.617 1.00 0.00 N ATOM 566 CA ARG C 366 12.701 5.931 -11.329 1.00 0.00 C ATOM 567 C ARG C 366 11.916 7.007 -10.593 1.00 0.00 C ATOM 568 O ARG C 366 12.398 8.124 -10.410 1.00 0.00 O ATOM 569 CB ARG C 366 12.172 5.769 -12.751 1.00 0.00 C ATOM 570 CG ARG C 366 12.579 6.983 -13.582 1.00 0.00 C ATOM 571 CD ARG C 366 12.134 6.775 -15.028 1.00 0.00 C ATOM 572 NE ARG C 366 12.650 7.842 -15.876 1.00 0.00 N ATOM 573 CZ ARG C 366 12.396 7.867 -17.180 1.00 0.00 C ATOM 574 NH1 ARG C 366 11.675 6.924 -17.725 1.00 0.00 N ATOM 575 NH2 ARG C 366 12.868 8.833 -17.919 1.00 0.00 N ATOM 0 H ARG C 366 12.197 3.902 -11.159 1.00 0.00 H new ATOM 0 HA ARG C 366 13.748 6.232 -11.375 1.00 0.00 H new ATOM 0 HB2 ARG C 366 12.570 4.858 -13.198 1.00 0.00 H new ATOM 0 HB3 ARG C 366 11.087 5.670 -12.738 1.00 0.00 H new ATOM 0 HG2 ARG C 366 12.124 7.886 -13.175 1.00 0.00 H new ATOM 0 HG3 ARG C 366 13.659 7.123 -13.538 1.00 0.00 H new ATOM 0 HD2 ARG C 366 12.490 5.810 -15.390 1.00 0.00 H new ATOM 0 HD3 ARG C 366 11.045 6.754 -15.081 1.00 0.00 H new ATOM 0 HE ARG C 366 13.216 8.582 -15.461 1.00 0.00 H new ATOM 0 HH11 ARG C 366 11.306 6.167 -17.149 1.00 0.00 H new ATOM 0 HH12 ARG C 366 11.481 6.945 -18.726 1.00 0.00 H new ATOM 0 HH21 ARG C 366 13.432 9.570 -17.496 1.00 0.00 H new ATOM 0 HH22 ARG C 366 12.673 8.852 -18.920 1.00 0.00 H new ATOM 589 N SER C 367 10.708 6.663 -10.173 1.00 0.00 N ATOM 590 CA SER C 367 9.869 7.613 -9.457 1.00 0.00 C ATOM 591 C SER C 367 10.593 8.108 -8.209 1.00 0.00 C ATOM 592 O SER C 367 10.588 9.303 -7.911 1.00 0.00 O ATOM 593 CB SER C 367 8.556 6.950 -9.056 1.00 0.00 C ATOM 594 OG SER C 367 7.903 7.756 -8.085 1.00 0.00 O ATOM 0 H SER C 367 10.290 5.743 -10.313 1.00 0.00 H new ATOM 0 HA SER C 367 9.658 8.459 -10.111 1.00 0.00 H new ATOM 0 HB2 SER C 367 7.917 6.823 -9.930 1.00 0.00 H new ATOM 0 HB3 SER C 367 8.745 5.955 -8.653 1.00 0.00 H new ATOM 0 HG SER C 367 7.057 7.334 -7.825 1.00 0.00 H new ATOM 600 N TRP C 368 11.219 7.185 -7.484 1.00 0.00 N ATOM 601 CA TRP C 368 11.947 7.548 -6.272 1.00 0.00 C ATOM 602 C TRP C 368 13.119 8.465 -6.618 1.00 0.00 C ATOM 603 O TRP C 368 13.376 9.450 -5.925 1.00 0.00 O ATOM 604 CB TRP C 368 12.467 6.287 -5.568 1.00 0.00 C ATOM 605 CG TRP C 368 12.907 6.631 -4.176 1.00 0.00 C ATOM 606 CD1 TRP C 368 14.172 6.524 -3.699 1.00 0.00 C ATOM 607 CD2 TRP C 368 12.098 7.130 -3.073 1.00 0.00 C ATOM 608 NE1 TRP C 368 14.186 6.940 -2.381 1.00 0.00 N ATOM 609 CE2 TRP C 368 12.935 7.321 -1.950 1.00 0.00 C ATOM 610 CE3 TRP C 368 10.732 7.438 -2.940 1.00 0.00 C ATOM 611 CZ2 TRP C 368 12.437 7.801 -0.738 1.00 0.00 C ATOM 612 CZ3 TRP C 368 10.226 7.919 -1.723 1.00 0.00 C ATOM 613 CH2 TRP C 368 11.077 8.102 -0.624 1.00 0.00 C ATOM 0 H TRP C 368 11.237 6.191 -7.711 1.00 0.00 H new ATOM 0 HA TRP C 368 11.267 8.074 -5.602 1.00 0.00 H new ATOM 0 HB2 TRP C 368 11.685 5.528 -5.536 1.00 0.00 H new ATOM 0 HB3 TRP C 368 13.300 5.863 -6.129 1.00 0.00 H new ATOM 0 HD1 TRP C 368 15.027 6.172 -4.257 1.00 0.00 H new ATOM 0 HE1 TRP C 368 15.022 6.962 -1.798 1.00 0.00 H new ATOM 0 HE3 TRP C 368 10.068 7.303 -3.781 1.00 0.00 H new ATOM 0 HZ2 TRP C 368 13.097 7.939 0.105 1.00 0.00 H new ATOM 0 HZ3 TRP C 368 9.175 8.150 -1.632 1.00 0.00 H new ATOM 0 HH2 TRP C 368 10.682 8.475 0.309 1.00 0.00 H new ATOM 624 N LEU C 369 13.826 8.134 -7.695 1.00 0.00 N ATOM 625 CA LEU C 369 14.971 8.934 -8.121 1.00 0.00 C ATOM 626 C LEU C 369 14.532 10.344 -8.513 1.00 0.00 C ATOM 627 O LEU C 369 15.230 11.320 -8.243 1.00 0.00 O ATOM 628 CB LEU C 369 15.673 8.275 -9.310 1.00 0.00 C ATOM 629 CG LEU C 369 16.333 6.962 -8.874 1.00 0.00 C ATOM 630 CD1 LEU C 369 16.867 6.244 -10.118 1.00 0.00 C ATOM 631 CD2 LEU C 369 17.484 7.233 -7.878 1.00 0.00 C ATOM 0 H LEU C 369 13.629 7.325 -8.284 1.00 0.00 H new ATOM 0 HA LEU C 369 15.664 8.997 -7.282 1.00 0.00 H new ATOM 0 HB2 LEU C 369 14.953 8.082 -10.105 1.00 0.00 H new ATOM 0 HB3 LEU C 369 16.425 8.951 -9.718 1.00 0.00 H new ATOM 0 HG LEU C 369 15.596 6.335 -8.371 1.00 0.00 H new ATOM 0 HD11 LEU C 369 17.340 5.307 -9.823 1.00 0.00 H new ATOM 0 HD12 LEU C 369 16.042 6.035 -10.800 1.00 0.00 H new ATOM 0 HD13 LEU C 369 17.599 6.878 -10.618 1.00 0.00 H new ATOM 0 HD21 LEU C 369 17.939 6.288 -7.581 1.00 0.00 H new ATOM 0 HD22 LEU C 369 18.235 7.864 -8.353 1.00 0.00 H new ATOM 0 HD23 LEU C 369 17.091 7.739 -6.996 1.00 0.00 H new ATOM 643 N GLU C 370 13.370 10.439 -9.149 1.00 0.00 N ATOM 644 CA GLU C 370 12.849 11.731 -9.569 1.00 0.00 C ATOM 645 C GLU C 370 12.454 12.572 -8.355 1.00 0.00 C ATOM 646 O GLU C 370 12.715 13.775 -8.313 1.00 0.00 O ATOM 647 CB GLU C 370 11.631 11.522 -10.467 1.00 0.00 C ATOM 648 CG GLU C 370 11.226 12.851 -11.104 1.00 0.00 C ATOM 649 CD GLU C 370 12.266 13.275 -12.136 1.00 0.00 C ATOM 650 OE1 GLU C 370 13.150 12.481 -12.420 1.00 0.00 O ATOM 651 OE2 GLU C 370 12.169 14.387 -12.625 1.00 0.00 O ATOM 0 H GLU C 370 12.776 9.643 -9.383 1.00 0.00 H new ATOM 0 HA GLU C 370 13.626 12.260 -10.120 1.00 0.00 H new ATOM 0 HB2 GLU C 370 11.860 10.791 -11.242 1.00 0.00 H new ATOM 0 HB3 GLU C 370 10.802 11.120 -9.884 1.00 0.00 H new ATOM 0 HG2 GLU C 370 10.250 12.753 -11.579 1.00 0.00 H new ATOM 0 HG3 GLU C 370 11.131 13.618 -10.335 1.00 0.00 H new ATOM 658 N GLN C 371 11.821 11.934 -7.373 1.00 0.00 N ATOM 659 CA GLN C 371 11.391 12.637 -6.168 1.00 0.00 C ATOM 660 C GLN C 371 12.583 12.979 -5.276 1.00 0.00 C ATOM 661 O GLN C 371 12.789 14.136 -4.914 1.00 0.00 O ATOM 662 CB GLN C 371 10.395 11.770 -5.381 1.00 0.00 C ATOM 663 CG GLN C 371 9.544 12.655 -4.461 1.00 0.00 C ATOM 664 CD GLN C 371 10.427 13.340 -3.422 1.00 0.00 C ATOM 665 OE1 GLN C 371 10.841 14.484 -3.617 1.00 0.00 O ATOM 666 NE2 GLN C 371 10.747 12.708 -2.327 1.00 0.00 N ATOM 0 H GLN C 371 11.596 10.939 -7.388 1.00 0.00 H new ATOM 0 HA GLN C 371 10.909 13.565 -6.474 1.00 0.00 H new ATOM 0 HB2 GLN C 371 9.752 11.223 -6.071 1.00 0.00 H new ATOM 0 HB3 GLN C 371 10.933 11.028 -4.791 1.00 0.00 H new ATOM 0 HG2 GLN C 371 9.017 13.404 -5.051 1.00 0.00 H new ATOM 0 HG3 GLN C 371 8.786 12.051 -3.963 1.00 0.00 H new ATOM 0 HE21 GLN C 371 10.404 11.761 -2.166 1.00 0.00 H new ATOM 0 HE22 GLN C 371 11.340 13.161 -1.632 1.00 0.00 H new ATOM 675 N ASP C 372 13.370 11.959 -4.929 1.00 0.00 N ATOM 676 CA ASP C 372 14.551 12.147 -4.079 1.00 0.00 C ATOM 677 C ASP C 372 15.824 11.791 -4.840 1.00 0.00 C ATOM 678 O ASP C 372 16.189 12.466 -5.798 1.00 0.00 O ATOM 679 CB ASP C 372 14.429 11.284 -2.817 1.00 0.00 C ATOM 680 CG ASP C 372 15.624 11.546 -1.910 1.00 0.00 C ATOM 681 OD1 ASP C 372 16.528 12.238 -2.345 1.00 0.00 O ATOM 682 OD2 ASP C 372 15.616 11.055 -0.793 1.00 0.00 O ATOM 0 H ASP C 372 13.213 10.995 -5.222 1.00 0.00 H new ATOM 0 HA ASP C 372 14.608 13.196 -3.789 1.00 0.00 H new ATOM 0 HB2 ASP C 372 13.502 11.516 -2.292 1.00 0.00 H new ATOM 0 HB3 ASP C 372 14.387 10.229 -3.087 1.00 0.00 H new ATOM 687 N THR C 373 16.479 10.718 -4.410 1.00 0.00 N ATOM 688 CA THR C 373 17.710 10.241 -5.055 1.00 0.00 C ATOM 689 C THR C 373 18.472 9.310 -4.117 1.00 0.00 C ATOM 690 O THR C 373 19.424 8.648 -4.524 1.00 0.00 O ATOM 691 CB THR C 373 18.633 11.423 -5.471 1.00 0.00 C ATOM 692 OG1 THR C 373 18.293 12.573 -4.712 1.00 0.00 O ATOM 693 CG2 THR C 373 18.512 11.747 -6.976 1.00 0.00 C ATOM 0 H THR C 373 16.181 10.155 -3.613 1.00 0.00 H new ATOM 0 HA THR C 373 17.419 9.699 -5.955 1.00 0.00 H new ATOM 0 HB THR C 373 19.664 11.128 -5.276 1.00 0.00 H new ATOM 0 HG1 THR C 373 17.639 13.110 -5.206 1.00 0.00 H new ATOM 0 HG21 THR C 373 19.173 12.578 -7.224 1.00 0.00 H new ATOM 0 HG22 THR C 373 18.795 10.872 -7.561 1.00 0.00 H new ATOM 0 HG23 THR C 373 17.483 12.021 -7.208 1.00 0.00 H new ATOM 701 N SER C 374 18.056 9.278 -2.860 1.00 0.00 N ATOM 702 CA SER C 374 18.711 8.435 -1.859 1.00 0.00 C ATOM 703 C SER C 374 17.975 7.113 -1.702 1.00 0.00 C ATOM 704 O SER C 374 16.957 6.878 -2.352 1.00 0.00 O ATOM 705 CB SER C 374 18.768 9.156 -0.508 1.00 0.00 C ATOM 706 OG SER C 374 17.492 9.707 -0.213 1.00 0.00 O ATOM 0 H SER C 374 17.270 9.823 -2.505 1.00 0.00 H new ATOM 0 HA SER C 374 19.726 8.233 -2.201 1.00 0.00 H new ATOM 0 HB2 SER C 374 19.066 8.460 0.276 1.00 0.00 H new ATOM 0 HB3 SER C 374 19.519 9.945 -0.536 1.00 0.00 H new ATOM 0 HG SER C 374 17.419 10.597 -0.617 1.00 0.00 H new ATOM 712 N CYS C 375 18.495 6.243 -0.836 1.00 0.00 N ATOM 713 CA CYS C 375 17.864 4.946 -0.612 1.00 0.00 C ATOM 714 C CYS C 375 16.748 5.053 0.443 1.00 0.00 C ATOM 715 O CYS C 375 16.995 5.543 1.536 1.00 0.00 O ATOM 716 CB CYS C 375 18.904 3.932 -0.145 1.00 0.00 C ATOM 717 SG CYS C 375 18.238 2.274 -0.419 1.00 0.00 S ATOM 0 H CYS C 375 19.338 6.410 -0.287 1.00 0.00 H new ATOM 0 HA CYS C 375 17.427 4.616 -1.554 1.00 0.00 H new ATOM 0 HB2 CYS C 375 19.836 4.063 -0.695 1.00 0.00 H new ATOM 0 HB3 CYS C 375 19.133 4.080 0.910 1.00 0.00 H new ATOM 722 N PRO C 376 15.538 4.609 0.155 1.00 0.00 N ATOM 723 CA PRO C 376 14.409 4.671 1.137 1.00 0.00 C ATOM 724 C PRO C 376 14.549 3.631 2.255 1.00 0.00 C ATOM 725 O PRO C 376 13.961 3.779 3.327 1.00 0.00 O ATOM 726 CB PRO C 376 13.163 4.390 0.283 1.00 0.00 C ATOM 727 CG PRO C 376 13.657 3.596 -0.879 1.00 0.00 C ATOM 728 CD PRO C 376 15.112 4.006 -1.118 1.00 0.00 C ATOM 0 HA PRO C 376 14.373 5.632 1.651 1.00 0.00 H new ATOM 0 HB2 PRO C 376 12.414 3.836 0.849 1.00 0.00 H new ATOM 0 HB3 PRO C 376 12.693 5.317 -0.045 1.00 0.00 H new ATOM 0 HG2 PRO C 376 13.587 2.528 -0.674 1.00 0.00 H new ATOM 0 HG3 PRO C 376 13.051 3.791 -1.764 1.00 0.00 H new ATOM 0 HD2 PRO C 376 15.730 3.146 -1.376 1.00 0.00 H new ATOM 0 HD3 PRO C 376 15.194 4.716 -1.941 1.00 0.00 H new ATOM 736 N THR C 377 15.306 2.566 1.987 1.00 0.00 N ATOM 737 CA THR C 377 15.491 1.496 2.970 1.00 0.00 C ATOM 738 C THR C 377 16.669 1.781 3.890 1.00 0.00 C ATOM 739 O THR C 377 16.487 2.241 5.017 1.00 0.00 O ATOM 740 CB THR C 377 15.727 0.167 2.245 1.00 0.00 C ATOM 741 OG1 THR C 377 14.632 -0.102 1.381 1.00 0.00 O ATOM 742 CG2 THR C 377 15.862 -0.967 3.266 1.00 0.00 C ATOM 0 H THR C 377 15.798 2.421 1.105 1.00 0.00 H new ATOM 0 HA THR C 377 14.588 1.439 3.578 1.00 0.00 H new ATOM 0 HB THR C 377 16.645 0.235 1.662 1.00 0.00 H new ATOM 0 HG1 THR C 377 14.414 -1.057 1.417 1.00 0.00 H new ATOM 0 HG21 THR C 377 16.030 -1.909 2.744 1.00 0.00 H new ATOM 0 HG22 THR C 377 16.705 -0.763 3.927 1.00 0.00 H new ATOM 0 HG23 THR C 377 14.948 -1.037 3.855 1.00 0.00 H new ATOM 750 N CYS C 378 17.875 1.497 3.414 1.00 0.00 N ATOM 751 CA CYS C 378 19.060 1.720 4.225 1.00 0.00 C ATOM 752 C CYS C 378 19.198 3.196 4.586 1.00 0.00 C ATOM 753 O CYS C 378 20.083 3.567 5.357 1.00 0.00 O ATOM 754 CB CYS C 378 20.320 1.248 3.486 1.00 0.00 C ATOM 755 SG CYS C 378 20.261 1.793 1.762 1.00 0.00 S ATOM 0 H CYS C 378 18.055 1.118 2.484 1.00 0.00 H new ATOM 0 HA CYS C 378 18.951 1.141 5.142 1.00 0.00 H new ATOM 0 HB2 CYS C 378 21.209 1.648 3.973 1.00 0.00 H new ATOM 0 HB3 CYS C 378 20.393 0.161 3.531 1.00 0.00 H new ATOM 760 N ARG C 379 18.343 4.034 4.001 1.00 0.00 N ATOM 761 CA ARG C 379 18.400 5.472 4.253 1.00 0.00 C ATOM 762 C ARG C 379 19.769 6.020 3.880 1.00 0.00 C ATOM 763 O ARG C 379 20.222 7.019 4.442 1.00 0.00 O ATOM 764 CB ARG C 379 18.109 5.773 5.723 1.00 0.00 C ATOM 765 CG ARG C 379 16.629 5.520 6.014 1.00 0.00 C ATOM 766 CD ARG C 379 16.372 5.717 7.505 1.00 0.00 C ATOM 767 NE ARG C 379 16.653 7.097 7.878 1.00 0.00 N ATOM 768 CZ ARG C 379 16.665 7.475 9.149 1.00 0.00 C ATOM 769 NH1 ARG C 379 16.430 6.601 10.089 1.00 0.00 N ATOM 770 NH2 ARG C 379 16.917 8.717 9.459 1.00 0.00 N ATOM 0 H ARG C 379 17.609 3.745 3.355 1.00 0.00 H new ATOM 0 HA ARG C 379 17.641 5.955 3.637 1.00 0.00 H new ATOM 0 HB2 ARG C 379 18.729 5.145 6.363 1.00 0.00 H new ATOM 0 HB3 ARG C 379 18.363 6.808 5.950 1.00 0.00 H new ATOM 0 HG2 ARG C 379 16.009 6.203 5.432 1.00 0.00 H new ATOM 0 HG3 ARG C 379 16.355 4.508 5.716 1.00 0.00 H new ATOM 0 HD2 ARG C 379 15.336 5.471 7.740 1.00 0.00 H new ATOM 0 HD3 ARG C 379 17.000 5.040 8.084 1.00 0.00 H new ATOM 0 HE ARG C 379 16.844 7.784 7.149 1.00 0.00 H new ATOM 0 HH11 ARG C 379 16.238 5.629 9.845 1.00 0.00 H new ATOM 0 HH12 ARG C 379 16.439 6.889 11.067 1.00 0.00 H new ATOM 0 HH21 ARG C 379 17.105 9.398 8.723 1.00 0.00 H new ATOM 0 HH22 ARG C 379 16.926 9.007 10.437 1.00 0.00 H new ATOM 784 N MET C 380 20.431 5.364 2.923 1.00 0.00 N ATOM 785 CA MET C 380 21.759 5.797 2.474 1.00 0.00 C ATOM 786 C MET C 380 21.681 6.424 1.087 1.00 0.00 C ATOM 787 O MET C 380 20.876 6.010 0.253 1.00 0.00 O ATOM 788 CB MET C 380 22.726 4.605 2.459 1.00 0.00 C ATOM 789 CG MET C 380 24.143 5.083 2.107 1.00 0.00 C ATOM 790 SD MET C 380 24.757 6.193 3.403 1.00 0.00 S ATOM 791 CE MET C 380 26.524 5.875 3.174 1.00 0.00 C ATOM 0 H MET C 380 20.073 4.536 2.446 1.00 0.00 H new ATOM 0 HA MET C 380 22.130 6.548 3.172 1.00 0.00 H new ATOM 0 HB2 MET C 380 22.730 4.117 3.433 1.00 0.00 H new ATOM 0 HB3 MET C 380 22.392 3.864 1.732 1.00 0.00 H new ATOM 0 HG2 MET C 380 24.810 4.227 2.003 1.00 0.00 H new ATOM 0 HG3 MET C 380 24.134 5.599 1.147 1.00 0.00 H new ATOM 0 HE1 MET C 380 27.096 6.470 3.886 1.00 0.00 H new ATOM 0 HE2 MET C 380 26.728 4.817 3.339 1.00 0.00 H new ATOM 0 HE3 MET C 380 26.814 6.147 2.159 1.00 0.00 H new ATOM 801 N SER C 381 22.535 7.413 0.846 1.00 0.00 N ATOM 802 CA SER C 381 22.573 8.084 -0.448 1.00 0.00 C ATOM 803 C SER C 381 23.398 7.270 -1.436 1.00 0.00 C ATOM 804 O SER C 381 24.304 6.537 -1.042 1.00 0.00 O ATOM 805 CB SER C 381 23.175 9.482 -0.303 1.00 0.00 C ATOM 806 OG SER C 381 22.333 10.270 0.530 1.00 0.00 O ATOM 0 H SER C 381 23.207 7.766 1.527 1.00 0.00 H new ATOM 0 HA SER C 381 21.553 8.174 -0.822 1.00 0.00 H new ATOM 0 HB2 SER C 381 24.175 9.418 0.127 1.00 0.00 H new ATOM 0 HB3 SER C 381 23.279 9.950 -1.282 1.00 0.00 H new ATOM 0 HG SER C 381 22.716 11.167 0.627 1.00 0.00 H new ATOM 812 N LEU C 382 23.080 7.405 -2.720 1.00 0.00 N ATOM 813 CA LEU C 382 23.799 6.680 -3.772 1.00 0.00 C ATOM 814 C LEU C 382 24.366 7.659 -4.797 1.00 0.00 C ATOM 815 O LEU C 382 23.769 8.701 -5.070 1.00 0.00 O ATOM 816 CB LEU C 382 22.847 5.706 -4.486 1.00 0.00 C ATOM 817 CG LEU C 382 21.543 6.445 -4.915 1.00 0.00 C ATOM 818 CD1 LEU C 382 21.306 6.269 -6.423 1.00 0.00 C ATOM 819 CD2 LEU C 382 20.338 5.873 -4.154 1.00 0.00 C ATOM 0 H LEU C 382 22.331 8.008 -3.061 1.00 0.00 H new ATOM 0 HA LEU C 382 24.615 6.125 -3.310 1.00 0.00 H new ATOM 0 HB2 LEU C 382 23.338 5.282 -5.362 1.00 0.00 H new ATOM 0 HB3 LEU C 382 22.602 4.875 -3.825 1.00 0.00 H new ATOM 0 HG LEU C 382 21.656 7.504 -4.683 1.00 0.00 H new ATOM 0 HD11 LEU C 382 20.393 6.789 -6.711 1.00 0.00 H new ATOM 0 HD12 LEU C 382 22.149 6.684 -6.975 1.00 0.00 H new ATOM 0 HD13 LEU C 382 21.208 5.208 -6.655 1.00 0.00 H new ATOM 0 HD21 LEU C 382 19.432 6.396 -4.461 1.00 0.00 H new ATOM 0 HD22 LEU C 382 20.237 4.811 -4.378 1.00 0.00 H new ATOM 0 HD23 LEU C 382 20.488 6.005 -3.083 1.00 0.00 H new ATOM 831 N ASN C 383 25.520 7.319 -5.363 1.00 0.00 N ATOM 832 CA ASN C 383 26.160 8.177 -6.361 1.00 0.00 C ATOM 833 C ASN C 383 25.655 7.834 -7.762 1.00 0.00 C ATOM 834 O ASN C 383 25.055 6.780 -7.973 1.00 0.00 O ATOM 835 CB ASN C 383 27.676 7.992 -6.306 1.00 0.00 C ATOM 836 CG ASN C 383 28.038 6.556 -6.669 1.00 0.00 C ATOM 837 OD1 ASN C 383 27.159 5.757 -6.993 1.00 0.00 O ATOM 838 ND2 ASN C 383 29.286 6.180 -6.636 1.00 0.00 N ATOM 0 H ASN C 383 26.030 6.462 -5.151 1.00 0.00 H new ATOM 0 HA ASN C 383 25.910 9.215 -6.140 1.00 0.00 H new ATOM 0 HB2 ASN C 383 28.161 8.684 -6.995 1.00 0.00 H new ATOM 0 HB3 ASN C 383 28.044 8.227 -5.307 1.00 0.00 H new ATOM 0 HD21 ASN C 383 29.536 5.222 -6.879 1.00 0.00 H new ATOM 0 HD22 ASN C 383 30.012 6.844 -6.367 1.00 0.00 H new ATOM 845 N ILE C 384 25.901 8.733 -8.711 1.00 0.00 N ATOM 846 CA ILE C 384 25.464 8.518 -10.087 1.00 0.00 C ATOM 847 C ILE C 384 26.460 7.632 -10.829 1.00 0.00 C ATOM 848 O ILE C 384 26.331 6.423 -10.738 1.00 0.00 O ATOM 849 CB ILE C 384 25.338 9.863 -10.805 1.00 0.00 C ATOM 850 CG1 ILE C 384 24.588 10.859 -9.909 1.00 0.00 C ATOM 851 CG2 ILE C 384 24.578 9.676 -12.119 1.00 0.00 C ATOM 852 CD1 ILE C 384 23.269 10.247 -9.429 1.00 0.00 C ATOM 0 H ILE C 384 26.397 9.611 -8.555 1.00 0.00 H new ATOM 0 HA ILE C 384 24.494 8.021 -10.073 1.00 0.00 H new ATOM 0 HB ILE C 384 26.334 10.252 -11.019 1.00 0.00 H new ATOM 0 HG12 ILE C 384 25.207 11.126 -9.052 1.00 0.00 H new ATOM 0 HG13 ILE C 384 24.392 11.779 -10.460 1.00 0.00 H new ATOM 0 HG21 ILE C 384 24.490 10.636 -12.628 1.00 0.00 H new ATOM 0 HG22 ILE C 384 25.119 8.976 -12.756 1.00 0.00 H new ATOM 0 HG23 ILE C 384 23.583 9.283 -11.911 1.00 0.00 H new ATOM 0 HD11 ILE C 384 22.746 10.962 -8.794 1.00 0.00 H new ATOM 0 HD12 ILE C 384 22.647 10.003 -10.290 1.00 0.00 H new ATOM 0 HD13 ILE C 384 23.474 9.340 -8.861 1.00 0.00 H new TER 864 ILE C 384 HETATM 865 ZN ZN C 900 7.292 -1.662 -7.576 1.00 0.00 ZN HETATM 866 ZN ZN C 901 19.414 0.583 0.179 1.00 0.00 ZN