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 Single : C 330 THR OG1 : rot -139:sc= 0.269 USER MOD Single : C 337 ASN : amide:sc= -0.128 K(o=-0.13,f=-1.3!) USER MOD Single : C 338 ASN : amide:sc= -2.68 X(o=-2.7,f=-2.5!) USER MOD Single : C 347 SER OG : rot 170:sc= 0.0875 USER MOD Single : C 348 MET CE :methyl 165:sc= -0.456 (180deg=-0.936) USER MOD Single : C 349 GLN : amide:sc= -1.17 K(o=-1.2,f=-0.56) USER MOD Single : C 353 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 358 HIS : no HE2:sc= -0.775 K(o=-0.77,f=-8.7!) USER MOD Single : C 361 HIS : no HD1:sc= -3.56! K(o=-3.6!,f=-2) USER MOD Single : C 362 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 363 SER OG : rot 180:sc= 0 USER MOD Single : C 367 SER OG : rot -21:sc= -0.452 USER MOD Single : C 371 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : C 373 THR OG1 : rot -96:sc= -0.252! USER MOD Single : C 374 SER OG : rot -70:sc= 0.668 USER MOD Single : C 377 THR OG1 : rot 180:sc= 0 USER MOD Single : C 380 MET CE :methyl 154:sc= -0.128 (180deg=-1.09) USER MOD Single : C 381 SER OG : rot 38:sc= 0.536 USER MOD Single : C 383 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA C 327 16.693 0.743 -16.696 1.00 0.00 N ATOM 2 CA ALA C 327 17.915 -0.072 -16.945 1.00 0.00 C ATOM 3 C ALA C 327 17.866 -1.334 -16.095 1.00 0.00 C ATOM 4 O ALA C 327 18.470 -1.396 -15.025 1.00 0.00 O ATOM 5 CB ALA C 327 19.157 0.746 -16.583 1.00 0.00 C ATOM 0 HA ALA C 327 17.960 -0.348 -17.998 1.00 0.00 H new ATOM 0 HB1 ALA C 327 20.051 0.150 -16.765 1.00 0.00 H new ATOM 0 HB2 ALA C 327 19.191 1.647 -17.196 1.00 0.00 H new ATOM 0 HB3 ALA C 327 19.115 1.025 -15.530 1.00 0.00 H new ATOM 11 N VAL C 328 17.140 -2.342 -16.576 1.00 0.00 N ATOM 12 CA VAL C 328 17.016 -3.608 -15.852 1.00 0.00 C ATOM 13 C VAL C 328 17.857 -4.685 -16.525 1.00 0.00 C ATOM 14 O VAL C 328 17.508 -5.178 -17.599 1.00 0.00 O ATOM 15 CB VAL C 328 15.553 -4.051 -15.826 1.00 0.00 C ATOM 16 CG1 VAL C 328 15.423 -5.332 -14.999 1.00 0.00 C ATOM 17 CG2 VAL C 328 14.699 -2.950 -15.198 1.00 0.00 C ATOM 0 H VAL C 328 16.631 -2.308 -17.459 1.00 0.00 H new ATOM 0 HA VAL C 328 17.371 -3.462 -14.832 1.00 0.00 H new ATOM 0 HB VAL C 328 15.212 -4.240 -16.844 1.00 0.00 H new ATOM 0 HG11 VAL C 328 14.380 -5.649 -14.980 1.00 0.00 H new ATOM 0 HG12 VAL C 328 16.032 -6.117 -15.446 1.00 0.00 H new ATOM 0 HG13 VAL C 328 15.764 -5.144 -13.981 1.00 0.00 H new ATOM 0 HG21 VAL C 328 13.656 -3.265 -15.179 1.00 0.00 H new ATOM 0 HG22 VAL C 328 15.040 -2.761 -14.180 1.00 0.00 H new ATOM 0 HG23 VAL C 328 14.792 -2.037 -15.787 1.00 0.00 H new ATOM 27 N ALA C 329 18.963 -5.052 -15.886 1.00 0.00 N ATOM 28 CA ALA C 329 19.851 -6.078 -16.428 1.00 0.00 C ATOM 29 C ALA C 329 19.466 -7.453 -15.894 1.00 0.00 C ATOM 30 O ALA C 329 19.939 -8.478 -16.387 1.00 0.00 O ATOM 31 CB ALA C 329 21.299 -5.774 -16.037 1.00 0.00 C ATOM 0 H ALA C 329 19.266 -4.657 -14.996 1.00 0.00 H new ATOM 0 HA ALA C 329 19.756 -6.077 -17.514 1.00 0.00 H new ATOM 0 HB1 ALA C 329 21.955 -6.543 -16.445 1.00 0.00 H new ATOM 0 HB2 ALA C 329 21.587 -4.802 -16.437 1.00 0.00 H new ATOM 0 HB3 ALA C 329 21.387 -5.760 -14.951 1.00 0.00 H new ATOM 37 N THR C 330 18.607 -7.468 -14.878 1.00 0.00 N ATOM 38 CA THR C 330 18.169 -8.730 -14.275 1.00 0.00 C ATOM 39 C THR C 330 16.984 -9.322 -15.051 1.00 0.00 C ATOM 40 O THR C 330 16.121 -8.582 -15.522 1.00 0.00 O ATOM 41 CB THR C 330 17.758 -8.497 -12.819 1.00 0.00 C ATOM 42 OG1 THR C 330 16.584 -7.701 -12.778 1.00 0.00 O ATOM 43 CG2 THR C 330 18.888 -7.780 -12.074 1.00 0.00 C ATOM 0 H THR C 330 18.202 -6.632 -14.457 1.00 0.00 H new ATOM 0 HA THR C 330 19.000 -9.434 -14.313 1.00 0.00 H new ATOM 0 HB THR C 330 17.562 -9.457 -12.342 1.00 0.00 H new ATOM 0 HG1 THR C 330 16.659 -7.044 -12.055 1.00 0.00 H new ATOM 0 HG21 THR C 330 18.593 -7.615 -11.038 1.00 0.00 H new ATOM 0 HG22 THR C 330 19.789 -8.393 -12.102 1.00 0.00 H new ATOM 0 HG23 THR C 330 19.087 -6.821 -12.552 1.00 0.00 H new ATOM 51 N PRO C 331 16.912 -10.632 -15.183 1.00 0.00 N ATOM 52 CA PRO C 331 15.791 -11.305 -15.907 1.00 0.00 C ATOM 53 C PRO C 331 14.490 -11.276 -15.108 1.00 0.00 C ATOM 54 O PRO C 331 14.508 -11.223 -13.878 1.00 0.00 O ATOM 55 CB PRO C 331 16.299 -12.740 -16.078 1.00 0.00 C ATOM 56 CG PRO C 331 17.177 -12.957 -14.892 1.00 0.00 C ATOM 57 CD PRO C 331 17.879 -11.621 -14.659 1.00 0.00 C ATOM 0 HA PRO C 331 15.549 -10.813 -16.849 1.00 0.00 H new ATOM 0 HB2 PRO C 331 15.476 -13.454 -16.101 1.00 0.00 H new ATOM 0 HB3 PRO C 331 16.851 -12.859 -17.010 1.00 0.00 H new ATOM 0 HG2 PRO C 331 16.594 -13.252 -14.020 1.00 0.00 H new ATOM 0 HG3 PRO C 331 17.898 -13.753 -15.077 1.00 0.00 H new ATOM 0 HD2 PRO C 331 18.090 -11.456 -13.602 1.00 0.00 H new ATOM 0 HD3 PRO C 331 18.832 -11.570 -15.186 1.00 0.00 H new ATOM 65 N GLU C 332 13.368 -11.334 -15.813 1.00 0.00 N ATOM 66 CA GLU C 332 12.068 -11.336 -15.161 1.00 0.00 C ATOM 67 C GLU C 332 11.997 -12.480 -14.154 1.00 0.00 C ATOM 68 O GLU C 332 11.146 -12.492 -13.264 1.00 0.00 O ATOM 69 CB GLU C 332 10.963 -11.492 -16.207 1.00 0.00 C ATOM 70 CG GLU C 332 11.170 -12.802 -16.970 1.00 0.00 C ATOM 71 CD GLU C 332 10.155 -12.911 -18.103 1.00 0.00 C ATOM 72 OE1 GLU C 332 10.096 -11.996 -18.908 1.00 0.00 O ATOM 73 OE2 GLU C 332 9.451 -13.905 -18.150 1.00 0.00 O ATOM 0 H GLU C 332 13.333 -11.380 -16.831 1.00 0.00 H new ATOM 0 HA GLU C 332 11.929 -10.391 -14.636 1.00 0.00 H new ATOM 0 HB2 GLU C 332 9.986 -11.490 -15.724 1.00 0.00 H new ATOM 0 HB3 GLU C 332 10.979 -10.649 -16.898 1.00 0.00 H new ATOM 0 HG2 GLU C 332 12.182 -12.842 -17.372 1.00 0.00 H new ATOM 0 HG3 GLU C 332 11.063 -13.648 -16.292 1.00 0.00 H new ATOM 80 N GLU C 333 12.906 -13.440 -14.308 1.00 0.00 N ATOM 81 CA GLU C 333 12.959 -14.590 -13.415 1.00 0.00 C ATOM 82 C GLU C 333 13.106 -14.139 -11.965 1.00 0.00 C ATOM 83 O GLU C 333 12.415 -14.636 -11.076 1.00 0.00 O ATOM 84 CB GLU C 333 14.151 -15.465 -13.804 1.00 0.00 C ATOM 85 CG GLU C 333 13.868 -16.150 -15.140 1.00 0.00 C ATOM 86 CD GLU C 333 12.745 -17.173 -14.985 1.00 0.00 C ATOM 87 OE1 GLU C 333 12.858 -18.020 -14.115 1.00 0.00 O ATOM 88 OE2 GLU C 333 11.788 -17.091 -15.737 1.00 0.00 O ATOM 0 H GLU C 333 13.614 -13.443 -15.042 1.00 0.00 H new ATOM 0 HA GLU C 333 12.032 -15.156 -13.507 1.00 0.00 H new ATOM 0 HB2 GLU C 333 15.052 -14.857 -13.879 1.00 0.00 H new ATOM 0 HB3 GLU C 333 14.334 -16.212 -13.032 1.00 0.00 H new ATOM 0 HG2 GLU C 333 13.590 -15.406 -15.886 1.00 0.00 H new ATOM 0 HG3 GLU C 333 14.770 -16.643 -15.502 1.00 0.00 H new ATOM 95 N LEU C 334 14.010 -13.194 -11.735 1.00 0.00 N ATOM 96 CA LEU C 334 14.235 -12.685 -10.389 1.00 0.00 C ATOM 97 C LEU C 334 12.978 -12.012 -9.857 1.00 0.00 C ATOM 98 O LEU C 334 12.606 -12.194 -8.697 1.00 0.00 O ATOM 99 CB LEU C 334 15.394 -11.677 -10.394 1.00 0.00 C ATOM 100 CG LEU C 334 15.609 -11.100 -8.981 1.00 0.00 C ATOM 101 CD1 LEU C 334 15.880 -12.235 -7.979 1.00 0.00 C ATOM 102 CD2 LEU C 334 16.805 -10.142 -9.012 1.00 0.00 C ATOM 0 H LEU C 334 14.593 -12.769 -12.456 1.00 0.00 H new ATOM 0 HA LEU C 334 14.488 -13.524 -9.741 1.00 0.00 H new ATOM 0 HB2 LEU C 334 16.307 -12.164 -10.738 1.00 0.00 H new ATOM 0 HB3 LEU C 334 15.180 -10.870 -11.095 1.00 0.00 H new ATOM 0 HG LEU C 334 14.712 -10.565 -8.668 1.00 0.00 H new ATOM 0 HD11 LEU C 334 16.030 -11.814 -6.985 1.00 0.00 H new ATOM 0 HD12 LEU C 334 15.028 -12.915 -7.960 1.00 0.00 H new ATOM 0 HD13 LEU C 334 16.774 -12.781 -8.281 1.00 0.00 H new ATOM 0 HD21 LEU C 334 16.966 -9.728 -8.016 1.00 0.00 H new ATOM 0 HD22 LEU C 334 17.697 -10.683 -9.328 1.00 0.00 H new ATOM 0 HD23 LEU C 334 16.604 -9.332 -9.714 1.00 0.00 H new ATOM 114 N ALA C 335 12.326 -11.233 -10.707 1.00 0.00 N ATOM 115 CA ALA C 335 11.117 -10.536 -10.302 1.00 0.00 C ATOM 116 C ALA C 335 10.024 -11.529 -9.931 1.00 0.00 C ATOM 117 O ALA C 335 9.371 -11.390 -8.899 1.00 0.00 O ATOM 118 CB ALA C 335 10.628 -9.630 -11.434 1.00 0.00 C ATOM 0 H ALA C 335 12.611 -11.069 -11.673 1.00 0.00 H new ATOM 0 HA ALA C 335 11.349 -9.927 -9.428 1.00 0.00 H new ATOM 0 HB1 ALA C 335 9.722 -9.112 -11.120 1.00 0.00 H new ATOM 0 HB2 ALA C 335 11.399 -8.898 -11.673 1.00 0.00 H new ATOM 0 HB3 ALA C 335 10.414 -10.233 -12.316 1.00 0.00 H new ATOM 124 N VAL C 336 9.834 -12.530 -10.777 1.00 0.00 N ATOM 125 CA VAL C 336 8.811 -13.538 -10.527 1.00 0.00 C ATOM 126 C VAL C 336 9.111 -14.286 -9.233 1.00 0.00 C ATOM 127 O VAL C 336 8.225 -14.488 -8.402 1.00 0.00 O ATOM 128 CB VAL C 336 8.758 -14.524 -11.695 1.00 0.00 C ATOM 129 CG1 VAL C 336 7.778 -15.655 -11.370 1.00 0.00 C ATOM 130 CG2 VAL C 336 8.295 -13.791 -12.957 1.00 0.00 C ATOM 0 H VAL C 336 10.368 -12.667 -11.635 1.00 0.00 H new ATOM 0 HA VAL C 336 7.845 -13.042 -10.430 1.00 0.00 H new ATOM 0 HB VAL C 336 9.750 -14.945 -11.861 1.00 0.00 H new ATOM 0 HG11 VAL C 336 7.742 -16.356 -12.204 1.00 0.00 H new ATOM 0 HG12 VAL C 336 8.109 -16.176 -10.472 1.00 0.00 H new ATOM 0 HG13 VAL C 336 6.785 -15.239 -11.203 1.00 0.00 H new ATOM 0 HG21 VAL C 336 8.256 -14.492 -13.791 1.00 0.00 H new ATOM 0 HG22 VAL C 336 7.303 -13.370 -12.790 1.00 0.00 H new ATOM 0 HG23 VAL C 336 8.995 -12.989 -13.189 1.00 0.00 H new ATOM 140 N ASN C 337 10.361 -14.698 -9.075 1.00 0.00 N ATOM 141 CA ASN C 337 10.765 -15.429 -7.880 1.00 0.00 C ATOM 142 C ASN C 337 10.925 -14.476 -6.701 1.00 0.00 C ATOM 143 O ASN C 337 11.018 -14.908 -5.553 1.00 0.00 O ATOM 144 CB ASN C 337 12.084 -16.161 -8.133 1.00 0.00 C ATOM 145 CG ASN C 337 12.350 -17.154 -7.007 1.00 0.00 C ATOM 146 OD1 ASN C 337 11.421 -17.787 -6.502 1.00 0.00 O ATOM 147 ND2 ASN C 337 13.571 -17.331 -6.580 1.00 0.00 N ATOM 0 H ASN C 337 11.108 -14.541 -9.752 1.00 0.00 H new ATOM 0 HA ASN C 337 9.989 -16.157 -7.642 1.00 0.00 H new ATOM 0 HB2 ASN C 337 12.042 -16.684 -9.089 1.00 0.00 H new ATOM 0 HB3 ASN C 337 12.902 -15.443 -8.198 1.00 0.00 H new ATOM 0 HD21 ASN C 337 13.757 -17.994 -5.827 1.00 0.00 H new ATOM 0 HD22 ASN C 337 14.339 -16.806 -6.999 1.00 0.00 H new ATOM 154 N ASN C 338 10.959 -13.178 -6.995 1.00 0.00 N ATOM 155 CA ASN C 338 11.112 -12.168 -5.950 1.00 0.00 C ATOM 156 C ASN C 338 10.360 -10.898 -6.324 1.00 0.00 C ATOM 157 O ASN C 338 10.947 -9.818 -6.406 1.00 0.00 O ATOM 158 CB ASN C 338 12.596 -11.849 -5.752 1.00 0.00 C ATOM 159 CG ASN C 338 12.803 -11.111 -4.432 1.00 0.00 C ATOM 160 OD1 ASN C 338 11.979 -11.216 -3.526 1.00 0.00 O ATOM 161 ND2 ASN C 338 13.866 -10.373 -4.271 1.00 0.00 N ATOM 0 H ASN C 338 10.883 -12.803 -7.940 1.00 0.00 H new ATOM 0 HA ASN C 338 10.698 -12.560 -5.021 1.00 0.00 H new ATOM 0 HB2 ASN C 338 13.178 -12.771 -5.757 1.00 0.00 H new ATOM 0 HB3 ASN C 338 12.958 -11.239 -6.579 1.00 0.00 H new ATOM 0 HD21 ASN C 338 14.016 -9.880 -3.391 1.00 0.00 H new ATOM 0 HD22 ASN C 338 14.547 -10.289 -5.025 1.00 0.00 H new ATOM 168 N ASP C 339 9.055 -11.031 -6.535 1.00 0.00 N ATOM 169 CA ASP C 339 8.231 -9.886 -6.894 1.00 0.00 C ATOM 170 C ASP C 339 7.949 -9.048 -5.652 1.00 0.00 C ATOM 171 O ASP C 339 8.845 -8.812 -4.842 1.00 0.00 O ATOM 172 CB ASP C 339 6.915 -10.361 -7.512 1.00 0.00 C ATOM 173 CG ASP C 339 6.114 -11.156 -6.487 1.00 0.00 C ATOM 174 OD1 ASP C 339 6.660 -11.449 -5.436 1.00 0.00 O ATOM 175 OD2 ASP C 339 4.966 -11.461 -6.767 1.00 0.00 O ATOM 0 H ASP C 339 8.549 -11.914 -6.464 1.00 0.00 H new ATOM 0 HA ASP C 339 8.764 -9.277 -7.625 1.00 0.00 H new ATOM 0 HB2 ASP C 339 6.334 -9.504 -7.854 1.00 0.00 H new ATOM 0 HB3 ASP C 339 7.117 -10.979 -8.387 1.00 0.00 H new ATOM 180 N ASP C 340 6.702 -8.605 -5.512 1.00 0.00 N ATOM 181 CA ASP C 340 6.304 -7.797 -4.364 1.00 0.00 C ATOM 182 C ASP C 340 7.150 -6.529 -4.280 1.00 0.00 C ATOM 183 O ASP C 340 8.377 -6.586 -4.255 1.00 0.00 O ATOM 184 CB ASP C 340 6.449 -8.603 -3.068 1.00 0.00 C ATOM 185 CG ASP C 340 5.421 -9.730 -3.034 1.00 0.00 C ATOM 186 OD1 ASP C 340 4.478 -9.669 -3.806 1.00 0.00 O ATOM 187 OD2 ASP C 340 5.596 -10.640 -2.242 1.00 0.00 O ATOM 0 H ASP C 340 5.952 -8.792 -6.178 1.00 0.00 H new ATOM 0 HA ASP C 340 5.259 -7.515 -4.493 1.00 0.00 H new ATOM 0 HB2 ASP C 340 7.455 -9.016 -2.998 1.00 0.00 H new ATOM 0 HB3 ASP C 340 6.312 -7.949 -2.207 1.00 0.00 H new ATOM 192 N CYS C 341 6.476 -5.382 -4.233 1.00 0.00 N ATOM 193 CA CYS C 341 7.163 -4.090 -4.141 1.00 0.00 C ATOM 194 C CYS C 341 7.064 -3.527 -2.729 1.00 0.00 C ATOM 195 O CYS C 341 6.031 -3.646 -2.075 1.00 0.00 O ATOM 196 CB CYS C 341 6.555 -3.102 -5.137 1.00 0.00 C ATOM 197 SG CYS C 341 7.760 -1.799 -5.496 1.00 0.00 S ATOM 0 H CYS C 341 5.458 -5.318 -4.257 1.00 0.00 H new ATOM 0 HA CYS C 341 8.215 -4.242 -4.381 1.00 0.00 H new ATOM 0 HB2 CYS C 341 6.276 -3.619 -6.055 1.00 0.00 H new ATOM 0 HB3 CYS C 341 5.644 -2.668 -4.726 1.00 0.00 H new ATOM 202 N ALA C 342 8.147 -2.906 -2.265 1.00 0.00 N ATOM 203 CA ALA C 342 8.171 -2.315 -0.928 1.00 0.00 C ATOM 204 C ALA C 342 7.766 -0.841 -0.994 1.00 0.00 C ATOM 205 O ALA C 342 7.312 -0.272 -0.003 1.00 0.00 O ATOM 206 CB ALA C 342 9.582 -2.456 -0.335 1.00 0.00 C ATOM 0 H ALA C 342 9.014 -2.799 -2.791 1.00 0.00 H new ATOM 0 HA ALA C 342 7.459 -2.837 -0.289 1.00 0.00 H new ATOM 0 HB1 ALA C 342 9.603 -2.016 0.662 1.00 0.00 H new ATOM 0 HB2 ALA C 342 9.846 -3.512 -0.272 1.00 0.00 H new ATOM 0 HB3 ALA C 342 10.299 -1.940 -0.974 1.00 0.00 H new ATOM 212 N ILE C 343 7.943 -0.230 -2.165 1.00 0.00 N ATOM 213 CA ILE C 343 7.600 1.181 -2.348 1.00 0.00 C ATOM 214 C ILE C 343 6.168 1.343 -2.850 1.00 0.00 C ATOM 215 O ILE C 343 5.275 1.733 -2.096 1.00 0.00 O ATOM 216 CB ILE C 343 8.562 1.828 -3.346 1.00 0.00 C ATOM 217 CG1 ILE C 343 9.978 1.806 -2.767 1.00 0.00 C ATOM 218 CG2 ILE C 343 8.140 3.278 -3.601 1.00 0.00 C ATOM 219 CD1 ILE C 343 10.987 2.201 -3.848 1.00 0.00 C ATOM 0 H ILE C 343 8.319 -0.686 -2.996 1.00 0.00 H new ATOM 0 HA ILE C 343 7.685 1.673 -1.379 1.00 0.00 H new ATOM 0 HB ILE C 343 8.539 1.275 -4.285 1.00 0.00 H new ATOM 0 HG12 ILE C 343 10.047 2.494 -1.924 1.00 0.00 H new ATOM 0 HG13 ILE C 343 10.210 0.811 -2.387 1.00 0.00 H new ATOM 0 HG21 ILE C 343 8.827 3.737 -4.312 1.00 0.00 H new ATOM 0 HG22 ILE C 343 7.129 3.296 -4.009 1.00 0.00 H new ATOM 0 HG23 ILE C 343 8.163 3.834 -2.664 1.00 0.00 H new ATOM 0 HD11 ILE C 343 11.994 2.184 -3.430 1.00 0.00 H new ATOM 0 HD12 ILE C 343 10.926 1.496 -4.677 1.00 0.00 H new ATOM 0 HD13 ILE C 343 10.761 3.205 -4.208 1.00 0.00 H new ATOM 231 N CYS C 344 5.955 1.051 -4.130 1.00 0.00 N ATOM 232 CA CYS C 344 4.631 1.181 -4.724 1.00 0.00 C ATOM 233 C CYS C 344 3.675 0.138 -4.165 1.00 0.00 C ATOM 234 O CYS C 344 2.470 0.368 -4.088 1.00 0.00 O ATOM 235 CB CYS C 344 4.720 1.019 -6.242 1.00 0.00 C ATOM 236 SG CYS C 344 5.184 -0.685 -6.643 1.00 0.00 S ATOM 0 H CYS C 344 6.678 0.725 -4.771 1.00 0.00 H new ATOM 0 HA CYS C 344 4.250 2.172 -4.479 1.00 0.00 H new ATOM 0 HB2 CYS C 344 3.762 1.264 -6.701 1.00 0.00 H new ATOM 0 HB3 CYS C 344 5.455 1.713 -6.650 1.00 0.00 H new ATOM 241 N TRP C 345 4.216 -1.011 -3.781 1.00 0.00 N ATOM 242 CA TRP C 345 3.395 -2.084 -3.235 1.00 0.00 C ATOM 243 C TRP C 345 2.275 -2.450 -4.206 1.00 0.00 C ATOM 244 O TRP C 345 1.104 -2.185 -3.941 1.00 0.00 O ATOM 245 CB TRP C 345 2.796 -1.651 -1.898 1.00 0.00 C ATOM 246 CG TRP C 345 2.126 -2.820 -1.255 1.00 0.00 C ATOM 247 CD1 TRP C 345 2.764 -3.818 -0.605 1.00 0.00 C ATOM 248 CD2 TRP C 345 0.703 -3.128 -1.186 1.00 0.00 C ATOM 249 NE1 TRP C 345 1.826 -4.723 -0.143 1.00 0.00 N ATOM 250 CE2 TRP C 345 0.540 -4.341 -0.475 1.00 0.00 C ATOM 251 CE3 TRP C 345 -0.449 -2.480 -1.666 1.00 0.00 C ATOM 252 CZ2 TRP C 345 -0.721 -4.891 -0.248 1.00 0.00 C ATOM 253 CZ3 TRP C 345 -1.721 -3.031 -1.440 1.00 0.00 C ATOM 254 CH2 TRP C 345 -1.855 -4.235 -0.732 1.00 0.00 C ATOM 0 H TRP C 345 5.212 -1.223 -3.837 1.00 0.00 H new ATOM 0 HA TRP C 345 4.026 -2.960 -3.083 1.00 0.00 H new ATOM 0 HB2 TRP C 345 3.577 -1.261 -1.246 1.00 0.00 H new ATOM 0 HB3 TRP C 345 2.078 -0.845 -2.052 1.00 0.00 H new ATOM 0 HD1 TRP C 345 3.832 -3.896 -0.468 1.00 0.00 H new ATOM 0 HE1 TRP C 345 2.055 -5.569 0.379 1.00 0.00 H new ATOM 0 HE3 TRP C 345 -0.355 -1.553 -2.212 1.00 0.00 H new ATOM 0 HZ2 TRP C 345 -0.820 -5.817 0.298 1.00 0.00 H new ATOM 0 HZ3 TRP C 345 -2.600 -2.526 -1.813 1.00 0.00 H new ATOM 0 HH2 TRP C 345 -2.835 -4.655 -0.561 1.00 0.00 H new ATOM 265 N ASP C 346 2.642 -3.058 -5.334 1.00 0.00 N ATOM 266 CA ASP C 346 1.656 -3.459 -6.340 1.00 0.00 C ATOM 267 C ASP C 346 2.045 -4.788 -6.981 1.00 0.00 C ATOM 268 O ASP C 346 1.183 -5.601 -7.315 1.00 0.00 O ATOM 269 CB ASP C 346 1.554 -2.384 -7.422 1.00 0.00 C ATOM 270 CG ASP C 346 0.432 -2.731 -8.396 1.00 0.00 C ATOM 271 OD1 ASP C 346 -0.109 -3.820 -8.281 1.00 0.00 O ATOM 272 OD2 ASP C 346 0.131 -1.904 -9.240 1.00 0.00 O ATOM 0 H ASP C 346 3.608 -3.283 -5.574 1.00 0.00 H new ATOM 0 HA ASP C 346 0.692 -3.578 -5.846 1.00 0.00 H new ATOM 0 HB2 ASP C 346 1.363 -1.413 -6.965 1.00 0.00 H new ATOM 0 HB3 ASP C 346 2.500 -2.304 -7.957 1.00 0.00 H new ATOM 277 N SER C 347 3.347 -5.002 -7.154 1.00 0.00 N ATOM 278 CA SER C 347 3.840 -6.236 -7.761 1.00 0.00 C ATOM 279 C SER C 347 3.676 -6.186 -9.282 1.00 0.00 C ATOM 280 O SER C 347 2.606 -5.846 -9.785 1.00 0.00 O ATOM 281 CB SER C 347 3.089 -7.445 -7.188 1.00 0.00 C ATOM 282 OG SER C 347 3.960 -8.570 -7.174 1.00 0.00 O ATOM 0 H SER C 347 4.076 -4.341 -6.884 1.00 0.00 H new ATOM 0 HA SER C 347 4.900 -6.337 -7.529 1.00 0.00 H new ATOM 0 HB2 SER C 347 2.740 -7.227 -6.179 1.00 0.00 H new ATOM 0 HB3 SER C 347 2.207 -7.660 -7.791 1.00 0.00 H new ATOM 0 HG SER C 347 3.546 -9.298 -6.665 1.00 0.00 H new ATOM 288 N MET C 348 4.739 -6.530 -10.006 1.00 0.00 N ATOM 289 CA MET C 348 4.695 -6.524 -11.467 1.00 0.00 C ATOM 290 C MET C 348 5.775 -7.447 -12.032 1.00 0.00 C ATOM 291 O MET C 348 5.824 -8.631 -11.695 1.00 0.00 O ATOM 292 CB MET C 348 4.883 -5.094 -11.996 1.00 0.00 C ATOM 293 CG MET C 348 4.410 -5.005 -13.452 1.00 0.00 C ATOM 294 SD MET C 348 4.640 -3.313 -14.054 1.00 0.00 S ATOM 295 CE MET C 348 6.350 -3.497 -14.614 1.00 0.00 C ATOM 0 H MET C 348 5.635 -6.814 -9.609 1.00 0.00 H new ATOM 0 HA MET C 348 3.721 -6.890 -11.791 1.00 0.00 H new ATOM 0 HB2 MET C 348 4.321 -4.393 -11.379 1.00 0.00 H new ATOM 0 HB3 MET C 348 5.933 -4.808 -11.928 1.00 0.00 H new ATOM 0 HG2 MET C 348 4.972 -5.703 -14.072 1.00 0.00 H new ATOM 0 HG3 MET C 348 3.360 -5.289 -13.523 1.00 0.00 H new ATOM 0 HE1 MET C 348 6.613 -2.660 -15.260 1.00 0.00 H new ATOM 0 HE2 MET C 348 7.016 -3.513 -13.751 1.00 0.00 H new ATOM 0 HE3 MET C 348 6.453 -4.430 -15.169 1.00 0.00 H new ATOM 305 N GLN C 349 6.632 -6.908 -12.900 1.00 0.00 N ATOM 306 CA GLN C 349 7.700 -7.694 -13.516 1.00 0.00 C ATOM 307 C GLN C 349 9.031 -6.955 -13.424 1.00 0.00 C ATOM 308 O GLN C 349 10.060 -7.553 -13.107 1.00 0.00 O ATOM 309 CB GLN C 349 7.357 -7.953 -14.983 1.00 0.00 C ATOM 310 CG GLN C 349 6.058 -8.759 -15.071 1.00 0.00 C ATOM 311 CD GLN C 349 6.256 -10.144 -14.461 1.00 0.00 C ATOM 312 OE1 GLN C 349 7.118 -10.900 -14.905 1.00 0.00 O ATOM 313 NE2 GLN C 349 5.507 -10.518 -13.460 1.00 0.00 N ATOM 0 H GLN C 349 6.607 -5.931 -13.192 1.00 0.00 H new ATOM 0 HA GLN C 349 7.791 -8.641 -12.985 1.00 0.00 H new ATOM 0 HB2 GLN C 349 7.247 -7.007 -15.514 1.00 0.00 H new ATOM 0 HB3 GLN C 349 8.168 -8.497 -15.466 1.00 0.00 H new ATOM 0 HG2 GLN C 349 5.259 -8.234 -14.548 1.00 0.00 H new ATOM 0 HG3 GLN C 349 5.749 -8.853 -16.112 1.00 0.00 H new ATOM 0 HE21 GLN C 349 4.793 -9.888 -13.094 1.00 0.00 H new ATOM 0 HE22 GLN C 349 5.636 -11.440 -13.043 1.00 0.00 H new ATOM 322 N ALA C 350 9.004 -5.657 -13.705 1.00 0.00 N ATOM 323 CA ALA C 350 10.219 -4.853 -13.654 1.00 0.00 C ATOM 324 C ALA C 350 10.843 -4.916 -12.264 1.00 0.00 C ATOM 325 O ALA C 350 10.152 -4.774 -11.258 1.00 0.00 O ATOM 326 CB ALA C 350 9.897 -3.399 -14.010 1.00 0.00 C ATOM 0 H ALA C 350 8.163 -5.143 -13.968 1.00 0.00 H new ATOM 0 HA ALA C 350 10.931 -5.253 -14.376 1.00 0.00 H new ATOM 0 HB1 ALA C 350 10.809 -2.804 -13.970 1.00 0.00 H new ATOM 0 HB2 ALA C 350 9.479 -3.355 -15.016 1.00 0.00 H new ATOM 0 HB3 ALA C 350 9.173 -3.002 -13.298 1.00 0.00 H new ATOM 332 N ALA C 351 12.153 -5.140 -12.220 1.00 0.00 N ATOM 333 CA ALA C 351 12.867 -5.236 -10.948 1.00 0.00 C ATOM 334 C ALA C 351 14.332 -4.853 -11.126 1.00 0.00 C ATOM 335 O ALA C 351 15.133 -5.627 -11.652 1.00 0.00 O ATOM 336 CB ALA C 351 12.763 -6.663 -10.413 1.00 0.00 C ATOM 0 H ALA C 351 12.741 -5.258 -13.045 1.00 0.00 H new ATOM 0 HA ALA C 351 12.415 -4.546 -10.236 1.00 0.00 H new ATOM 0 HB1 ALA C 351 13.295 -6.736 -9.464 1.00 0.00 H new ATOM 0 HB2 ALA C 351 11.714 -6.919 -10.261 1.00 0.00 H new ATOM 0 HB3 ALA C 351 13.205 -7.354 -11.131 1.00 0.00 H new ATOM 342 N ARG C 352 14.669 -3.649 -10.681 1.00 0.00 N ATOM 343 CA ARG C 352 16.032 -3.140 -10.781 1.00 0.00 C ATOM 344 C ARG C 352 16.679 -3.180 -9.414 1.00 0.00 C ATOM 345 O ARG C 352 15.984 -3.139 -8.404 1.00 0.00 O ATOM 346 CB ARG C 352 16.025 -1.706 -11.317 1.00 0.00 C ATOM 347 CG ARG C 352 17.469 -1.267 -11.613 1.00 0.00 C ATOM 348 CD ARG C 352 17.464 -0.071 -12.568 1.00 0.00 C ATOM 349 NE ARG C 352 18.835 0.333 -12.859 1.00 0.00 N ATOM 350 CZ ARG C 352 19.503 1.143 -12.045 1.00 0.00 C ATOM 351 NH1 ARG C 352 18.940 1.584 -10.954 1.00 0.00 N ATOM 352 NH2 ARG C 352 20.726 1.491 -12.334 1.00 0.00 N ATOM 0 H ARG C 352 14.012 -3.002 -10.244 1.00 0.00 H new ATOM 0 HA ARG C 352 16.600 -3.763 -11.472 1.00 0.00 H new ATOM 0 HB2 ARG C 352 15.422 -1.647 -12.223 1.00 0.00 H new ATOM 0 HB3 ARG C 352 15.571 -1.035 -10.588 1.00 0.00 H new ATOM 0 HG2 ARG C 352 17.975 -1.000 -10.685 1.00 0.00 H new ATOM 0 HG3 ARG C 352 18.027 -2.093 -12.054 1.00 0.00 H new ATOM 0 HD2 ARG C 352 16.948 -0.333 -13.492 1.00 0.00 H new ATOM 0 HD3 ARG C 352 16.917 0.760 -12.123 1.00 0.00 H new ATOM 0 HE ARG C 352 19.290 -0.013 -13.704 1.00 0.00 H new ATOM 0 HH11 ARG C 352 17.985 1.307 -10.725 1.00 0.00 H new ATOM 0 HH12 ARG C 352 19.454 2.206 -10.330 1.00 0.00 H new ATOM 0 HH21 ARG C 352 21.168 1.141 -13.184 1.00 0.00 H new ATOM 0 HH22 ARG C 352 21.240 2.113 -11.710 1.00 0.00 H new ATOM 366 N LYS C 353 18.007 -3.271 -9.379 1.00 0.00 N ATOM 367 CA LYS C 353 18.730 -3.338 -8.111 1.00 0.00 C ATOM 368 C LYS C 353 19.475 -2.038 -7.839 1.00 0.00 C ATOM 369 O LYS C 353 20.269 -1.582 -8.663 1.00 0.00 O ATOM 370 CB LYS C 353 19.724 -4.496 -8.160 1.00 0.00 C ATOM 371 CG LYS C 353 20.447 -4.627 -6.816 1.00 0.00 C ATOM 372 CD LYS C 353 21.439 -5.794 -6.868 1.00 0.00 C ATOM 373 CE LYS C 353 20.703 -7.131 -6.715 1.00 0.00 C ATOM 374 NZ LYS C 353 21.702 -8.221 -6.543 1.00 0.00 N ATOM 0 H LYS C 353 18.601 -3.300 -10.208 1.00 0.00 H new ATOM 0 HA LYS C 353 18.011 -3.495 -7.307 1.00 0.00 H new ATOM 0 HB2 LYS C 353 19.202 -5.424 -8.393 1.00 0.00 H new ATOM 0 HB3 LYS C 353 20.449 -4.330 -8.957 1.00 0.00 H new ATOM 0 HG2 LYS C 353 20.973 -3.701 -6.585 1.00 0.00 H new ATOM 0 HG3 LYS C 353 19.723 -4.790 -6.018 1.00 0.00 H new ATOM 0 HD2 LYS C 353 21.981 -5.777 -7.813 1.00 0.00 H new ATOM 0 HD3 LYS C 353 22.179 -5.686 -6.075 1.00 0.00 H new ATOM 0 HE2 LYS C 353 20.034 -7.095 -5.855 1.00 0.00 H new ATOM 0 HE3 LYS C 353 20.085 -7.322 -7.592 1.00 0.00 H new ATOM 0 HZ1 LYS C 353 21.209 -9.131 -6.439 1.00 0.00 H new ATOM 0 HZ2 LYS C 353 22.323 -8.257 -7.376 1.00 0.00 H new ATOM 0 HZ3 LYS C 353 22.273 -8.038 -5.693 1.00 0.00 H new ATOM 388 N LEU C 354 19.224 -1.452 -6.674 1.00 0.00 N ATOM 389 CA LEU C 354 19.886 -0.205 -6.301 1.00 0.00 C ATOM 390 C LEU C 354 21.370 -0.469 -6.006 1.00 0.00 C ATOM 391 O LEU C 354 21.746 -1.588 -5.661 1.00 0.00 O ATOM 392 CB LEU C 354 19.204 0.387 -5.049 1.00 0.00 C ATOM 393 CG LEU C 354 17.947 1.184 -5.427 1.00 0.00 C ATOM 394 CD1 LEU C 354 17.070 1.350 -4.172 1.00 0.00 C ATOM 395 CD2 LEU C 354 18.321 2.575 -5.963 1.00 0.00 C ATOM 0 H LEU C 354 18.574 -1.815 -5.977 1.00 0.00 H new ATOM 0 HA LEU C 354 19.808 0.503 -7.126 1.00 0.00 H new ATOM 0 HB2 LEU C 354 18.936 -0.417 -4.363 1.00 0.00 H new ATOM 0 HB3 LEU C 354 19.904 1.035 -4.522 1.00 0.00 H new ATOM 0 HG LEU C 354 17.409 0.644 -6.206 1.00 0.00 H new ATOM 0 HD11 LEU C 354 16.173 1.915 -4.427 1.00 0.00 H new ATOM 0 HD12 LEU C 354 16.785 0.368 -3.795 1.00 0.00 H new ATOM 0 HD13 LEU C 354 17.630 1.885 -3.405 1.00 0.00 H new ATOM 0 HD21 LEU C 354 17.414 3.120 -6.224 1.00 0.00 H new ATOM 0 HD22 LEU C 354 18.868 3.125 -5.197 1.00 0.00 H new ATOM 0 HD23 LEU C 354 18.947 2.467 -6.849 1.00 0.00 H new ATOM 407 N PRO C 355 22.210 0.531 -6.125 1.00 0.00 N ATOM 408 CA PRO C 355 23.675 0.393 -5.851 1.00 0.00 C ATOM 409 C PRO C 355 23.948 0.006 -4.395 1.00 0.00 C ATOM 410 O PRO C 355 25.029 -0.485 -4.067 1.00 0.00 O ATOM 411 CB PRO C 355 24.243 1.789 -6.192 1.00 0.00 C ATOM 412 CG PRO C 355 23.074 2.714 -6.084 1.00 0.00 C ATOM 413 CD PRO C 355 21.869 1.905 -6.538 1.00 0.00 C ATOM 0 HA PRO C 355 24.138 -0.402 -6.436 1.00 0.00 H new ATOM 0 HB2 PRO C 355 25.037 2.073 -5.501 1.00 0.00 H new ATOM 0 HB3 PRO C 355 24.671 1.808 -7.194 1.00 0.00 H new ATOM 0 HG2 PRO C 355 22.946 3.067 -5.061 1.00 0.00 H new ATOM 0 HG3 PRO C 355 23.213 3.596 -6.710 1.00 0.00 H new ATOM 0 HD2 PRO C 355 20.950 2.251 -6.065 1.00 0.00 H new ATOM 0 HD3 PRO C 355 21.719 1.976 -7.615 1.00 0.00 H new ATOM 421 N CYS C 356 22.962 0.232 -3.526 1.00 0.00 N ATOM 422 CA CYS C 356 23.111 -0.098 -2.109 1.00 0.00 C ATOM 423 C CYS C 356 22.859 -1.590 -1.862 1.00 0.00 C ATOM 424 O CYS C 356 23.630 -2.250 -1.168 1.00 0.00 O ATOM 425 CB CYS C 356 22.146 0.751 -1.266 1.00 0.00 C ATOM 426 SG CYS C 356 20.478 0.049 -1.328 1.00 0.00 S ATOM 0 H CYS C 356 22.060 0.638 -3.775 1.00 0.00 H new ATOM 0 HA CYS C 356 24.136 0.126 -1.812 1.00 0.00 H new ATOM 0 HB2 CYS C 356 22.493 0.792 -0.234 1.00 0.00 H new ATOM 0 HB3 CYS C 356 22.131 1.775 -1.638 1.00 0.00 H new ATOM 431 N GLY C 357 21.771 -2.110 -2.432 1.00 0.00 N ATOM 432 CA GLY C 357 21.415 -3.530 -2.268 1.00 0.00 C ATOM 433 C GLY C 357 19.915 -3.693 -2.031 1.00 0.00 C ATOM 434 O GLY C 357 19.495 -4.317 -1.051 1.00 0.00 O ATOM 0 H GLY C 357 21.121 -1.577 -3.009 1.00 0.00 H new ATOM 0 HA2 GLY C 357 21.709 -4.088 -3.157 1.00 0.00 H new ATOM 0 HA3 GLY C 357 21.968 -3.953 -1.429 1.00 0.00 H new ATOM 438 N HIS C 358 19.112 -3.156 -2.951 1.00 0.00 N ATOM 439 CA HIS C 358 17.650 -3.251 -2.857 1.00 0.00 C ATOM 440 C HIS C 358 17.055 -3.454 -4.245 1.00 0.00 C ATOM 441 O HIS C 358 17.554 -2.897 -5.214 1.00 0.00 O ATOM 442 CB HIS C 358 17.084 -1.969 -2.220 1.00 0.00 C ATOM 443 CG HIS C 358 17.149 -2.078 -0.723 1.00 0.00 C ATOM 444 ND1 HIS C 358 18.203 -1.564 0.022 1.00 0.00 N ATOM 445 CD2 HIS C 358 16.305 -2.671 0.178 1.00 0.00 C ATOM 446 CE1 HIS C 358 17.960 -1.865 1.313 1.00 0.00 C ATOM 447 NE2 HIS C 358 16.817 -2.537 1.461 1.00 0.00 N ATOM 0 H HIS C 358 19.447 -2.650 -3.771 1.00 0.00 H new ATOM 0 HA HIS C 358 17.385 -4.103 -2.231 1.00 0.00 H new ATOM 0 HB2 HIS C 358 17.653 -1.102 -2.556 1.00 0.00 H new ATOM 0 HB3 HIS C 358 16.053 -1.817 -2.539 1.00 0.00 H new ATOM 0 HD1 HIS C 358 19.009 -1.055 -0.340 1.00 0.00 H new ATOM 0 HD2 HIS C 358 15.380 -3.168 -0.072 1.00 0.00 H new ATOM 0 HE1 HIS C 358 18.612 -1.595 2.130 1.00 0.00 H new ATOM 455 N LEU C 359 15.991 -4.260 -4.331 1.00 0.00 N ATOM 456 CA LEU C 359 15.349 -4.547 -5.621 1.00 0.00 C ATOM 457 C LEU C 359 14.079 -3.730 -5.801 1.00 0.00 C ATOM 458 O LEU C 359 13.090 -3.959 -5.109 1.00 0.00 O ATOM 459 CB LEU C 359 14.977 -6.024 -5.672 1.00 0.00 C ATOM 460 CG LEU C 359 16.226 -6.888 -5.471 1.00 0.00 C ATOM 461 CD1 LEU C 359 15.802 -8.349 -5.314 1.00 0.00 C ATOM 462 CD2 LEU C 359 17.162 -6.750 -6.679 1.00 0.00 C ATOM 0 H LEU C 359 15.558 -4.722 -3.531 1.00 0.00 H new ATOM 0 HA LEU C 359 16.051 -4.289 -6.414 1.00 0.00 H new ATOM 0 HB2 LEU C 359 14.242 -6.249 -4.900 1.00 0.00 H new ATOM 0 HB3 LEU C 359 14.514 -6.258 -6.631 1.00 0.00 H new ATOM 0 HG LEU C 359 16.755 -6.558 -4.577 1.00 0.00 H new ATOM 0 HD11 LEU C 359 16.686 -8.971 -5.170 1.00 0.00 H new ATOM 0 HD12 LEU C 359 15.145 -8.446 -4.449 1.00 0.00 H new ATOM 0 HD13 LEU C 359 15.272 -8.672 -6.210 1.00 0.00 H new ATOM 0 HD21 LEU C 359 18.047 -7.368 -6.526 1.00 0.00 H new ATOM 0 HD22 LEU C 359 16.643 -7.076 -7.580 1.00 0.00 H new ATOM 0 HD23 LEU C 359 17.462 -5.708 -6.790 1.00 0.00 H new ATOM 474 N PHE C 360 14.115 -2.776 -6.733 1.00 0.00 N ATOM 475 CA PHE C 360 12.970 -1.898 -7.002 1.00 0.00 C ATOM 476 C PHE C 360 12.620 -1.934 -8.478 1.00 0.00 C ATOM 477 O PHE C 360 13.489 -2.050 -9.338 1.00 0.00 O ATOM 478 CB PHE C 360 13.360 -0.477 -6.573 1.00 0.00 C ATOM 479 CG PHE C 360 13.301 -0.279 -5.055 1.00 0.00 C ATOM 480 CD1 PHE C 360 12.692 -1.196 -4.160 1.00 0.00 C ATOM 481 CD2 PHE C 360 13.979 0.816 -4.529 1.00 0.00 C ATOM 482 CE1 PHE C 360 12.756 -0.980 -2.784 1.00 0.00 C ATOM 483 CE2 PHE C 360 14.035 1.026 -3.154 1.00 0.00 C ATOM 484 CZ PHE C 360 13.423 0.134 -2.281 1.00 0.00 C ATOM 0 H PHE C 360 14.929 -2.589 -7.319 1.00 0.00 H new ATOM 0 HA PHE C 360 12.093 -2.230 -6.446 1.00 0.00 H new ATOM 0 HB2 PHE C 360 14.369 -0.260 -6.924 1.00 0.00 H new ATOM 0 HB3 PHE C 360 12.694 0.239 -7.055 1.00 0.00 H new ATOM 0 HD1 PHE C 360 12.177 -2.064 -4.546 1.00 0.00 H new ATOM 0 HD2 PHE C 360 14.468 1.511 -5.195 1.00 0.00 H new ATOM 0 HE1 PHE C 360 12.287 -1.678 -2.107 1.00 0.00 H new ATOM 0 HE2 PHE C 360 14.557 1.887 -2.763 1.00 0.00 H new ATOM 0 HZ PHE C 360 13.465 0.305 -1.215 1.00 0.00 H new ATOM 494 N HIS C 361 11.327 -1.813 -8.756 1.00 0.00 N ATOM 495 CA HIS C 361 10.840 -1.828 -10.127 1.00 0.00 C ATOM 496 C HIS C 361 11.407 -0.647 -10.898 1.00 0.00 C ATOM 497 O HIS C 361 11.848 0.337 -10.308 1.00 0.00 O ATOM 498 CB HIS C 361 9.315 -1.775 -10.136 1.00 0.00 C ATOM 499 CG HIS C 361 8.777 -2.953 -9.370 1.00 0.00 C ATOM 500 ND1 HIS C 361 7.432 -3.090 -9.070 1.00 0.00 N ATOM 501 CD2 HIS C 361 9.390 -4.074 -8.859 1.00 0.00 C ATOM 502 CE1 HIS C 361 7.278 -4.256 -8.419 1.00 0.00 C ATOM 503 NE2 HIS C 361 8.440 -4.895 -8.261 1.00 0.00 N ATOM 0 H HIS C 361 10.599 -1.704 -8.050 1.00 0.00 H new ATOM 0 HA HIS C 361 11.167 -2.750 -10.608 1.00 0.00 H new ATOM 0 HB2 HIS C 361 8.968 -0.844 -9.687 1.00 0.00 H new ATOM 0 HB3 HIS C 361 8.944 -1.792 -11.161 1.00 0.00 H new ATOM 0 HD2 HIS C 361 10.448 -4.284 -8.914 1.00 0.00 H new ATOM 0 HE1 HIS C 361 6.329 -4.631 -8.066 1.00 0.00 H new ATOM 0 HE2 HIS C 361 8.597 -5.792 -7.801 1.00 0.00 H new ATOM 511 N ASN C 362 11.399 -0.753 -12.216 1.00 0.00 N ATOM 512 CA ASN C 362 11.928 0.307 -13.057 1.00 0.00 C ATOM 513 C ASN C 362 11.173 1.607 -12.815 1.00 0.00 C ATOM 514 O ASN C 362 11.778 2.674 -12.687 1.00 0.00 O ATOM 515 CB ASN C 362 11.794 -0.102 -14.525 1.00 0.00 C ATOM 516 CG ASN C 362 12.235 1.039 -15.430 1.00 0.00 C ATOM 517 OD1 ASN C 362 11.400 1.735 -16.008 1.00 0.00 O ATOM 518 ND2 ASN C 362 13.508 1.275 -15.591 1.00 0.00 N ATOM 0 H ASN C 362 11.034 -1.558 -12.725 1.00 0.00 H new ATOM 0 HA ASN C 362 12.978 0.466 -12.811 1.00 0.00 H new ATOM 0 HB2 ASN C 362 12.400 -0.986 -14.721 1.00 0.00 H new ATOM 0 HB3 ASN C 362 10.760 -0.370 -14.743 1.00 0.00 H new ATOM 0 HD21 ASN C 362 13.813 2.037 -16.196 1.00 0.00 H new ATOM 0 HD22 ASN C 362 14.198 0.697 -15.111 1.00 0.00 H new ATOM 525 N SER C 363 9.852 1.515 -12.746 1.00 0.00 N ATOM 526 CA SER C 363 9.027 2.689 -12.513 1.00 0.00 C ATOM 527 C SER C 363 9.154 3.173 -11.070 1.00 0.00 C ATOM 528 O SER C 363 9.224 4.371 -10.813 1.00 0.00 O ATOM 529 CB SER C 363 7.565 2.363 -12.813 1.00 0.00 C ATOM 530 OG SER C 363 7.394 2.230 -14.218 1.00 0.00 O ATOM 0 H SER C 363 9.332 0.643 -12.848 1.00 0.00 H new ATOM 0 HA SER C 363 9.372 3.482 -13.176 1.00 0.00 H new ATOM 0 HB2 SER C 363 7.275 1.440 -12.310 1.00 0.00 H new ATOM 0 HB3 SER C 363 6.918 3.152 -12.429 1.00 0.00 H new ATOM 0 HG SER C 363 6.457 2.019 -14.415 1.00 0.00 H new ATOM 536 N CYS C 364 9.169 2.234 -10.137 1.00 0.00 N ATOM 537 CA CYS C 364 9.267 2.588 -8.722 1.00 0.00 C ATOM 538 C CYS C 364 10.632 3.175 -8.393 1.00 0.00 C ATOM 539 O CYS C 364 10.729 4.202 -7.716 1.00 0.00 O ATOM 540 CB CYS C 364 9.039 1.352 -7.854 1.00 0.00 C ATOM 541 SG CYS C 364 7.394 0.681 -8.179 1.00 0.00 S ATOM 0 H CYS C 364 9.116 1.233 -10.326 1.00 0.00 H new ATOM 0 HA CYS C 364 8.502 3.336 -8.516 1.00 0.00 H new ATOM 0 HB2 CYS C 364 9.799 0.600 -8.067 1.00 0.00 H new ATOM 0 HB3 CYS C 364 9.135 1.612 -6.800 1.00 0.00 H new ATOM 546 N LEU C 365 11.685 2.514 -8.857 1.00 0.00 N ATOM 547 CA LEU C 365 13.035 2.989 -8.585 1.00 0.00 C ATOM 548 C LEU C 365 13.273 4.349 -9.241 1.00 0.00 C ATOM 549 O LEU C 365 13.693 5.303 -8.589 1.00 0.00 O ATOM 550 CB LEU C 365 14.061 1.963 -9.116 1.00 0.00 C ATOM 551 CG LEU C 365 15.393 2.097 -8.363 1.00 0.00 C ATOM 552 CD1 LEU C 365 16.366 1.022 -8.849 1.00 0.00 C ATOM 553 CD2 LEU C 365 15.994 3.485 -8.599 1.00 0.00 C ATOM 0 H LEU C 365 11.633 1.661 -9.414 1.00 0.00 H new ATOM 0 HA LEU C 365 13.155 3.102 -7.508 1.00 0.00 H new ATOM 0 HB2 LEU C 365 13.669 0.953 -8.997 1.00 0.00 H new ATOM 0 HB3 LEU C 365 14.222 2.119 -10.183 1.00 0.00 H new ATOM 0 HG LEU C 365 15.214 1.968 -7.296 1.00 0.00 H new ATOM 0 HD11 LEU C 365 17.311 1.118 -8.314 1.00 0.00 H new ATOM 0 HD12 LEU C 365 15.942 0.036 -8.662 1.00 0.00 H new ATOM 0 HD13 LEU C 365 16.540 1.145 -9.918 1.00 0.00 H new ATOM 0 HD21 LEU C 365 16.938 3.569 -8.061 1.00 0.00 H new ATOM 0 HD22 LEU C 365 16.170 3.629 -9.665 1.00 0.00 H new ATOM 0 HD23 LEU C 365 15.302 4.247 -8.240 1.00 0.00 H new ATOM 565 N ARG C 366 12.990 4.426 -10.534 1.00 0.00 N ATOM 566 CA ARG C 366 13.190 5.662 -11.271 1.00 0.00 C ATOM 567 C ARG C 366 12.343 6.772 -10.665 1.00 0.00 C ATOM 568 O ARG C 366 12.813 7.894 -10.480 1.00 0.00 O ATOM 569 CB ARG C 366 12.824 5.456 -12.741 1.00 0.00 C ATOM 570 CG ARG C 366 13.172 6.716 -13.525 1.00 0.00 C ATOM 571 CD ARG C 366 12.871 6.493 -15.011 1.00 0.00 C ATOM 572 NE ARG C 366 13.764 5.472 -15.558 1.00 0.00 N ATOM 573 CZ ARG C 366 14.982 5.785 -15.993 1.00 0.00 C ATOM 574 NH1 ARG C 366 15.393 7.021 -15.948 1.00 0.00 N ATOM 575 NH2 ARG C 366 15.764 4.854 -16.471 1.00 0.00 N ATOM 0 H ARG C 366 12.624 3.653 -11.089 1.00 0.00 H new ATOM 0 HA ARG C 366 14.239 5.950 -11.208 1.00 0.00 H new ATOM 0 HB2 ARG C 366 13.364 4.600 -13.146 1.00 0.00 H new ATOM 0 HB3 ARG C 366 11.761 5.236 -12.836 1.00 0.00 H new ATOM 0 HG2 ARG C 366 12.596 7.562 -13.149 1.00 0.00 H new ATOM 0 HG3 ARG C 366 14.225 6.962 -13.389 1.00 0.00 H new ATOM 0 HD2 ARG C 366 11.833 6.185 -15.137 1.00 0.00 H new ATOM 0 HD3 ARG C 366 12.995 7.427 -15.559 1.00 0.00 H new ATOM 0 HE ARG C 366 13.448 4.503 -15.607 1.00 0.00 H new ATOM 0 HH11 ARG C 366 14.781 7.749 -15.579 1.00 0.00 H new ATOM 0 HH12 ARG C 366 16.327 7.260 -16.282 1.00 0.00 H new ATOM 0 HH21 ARG C 366 15.441 3.887 -16.511 1.00 0.00 H new ATOM 0 HH22 ARG C 366 16.698 5.094 -16.804 1.00 0.00 H new ATOM 589 N SER C 367 11.094 6.451 -10.355 1.00 0.00 N ATOM 590 CA SER C 367 10.196 7.437 -9.766 1.00 0.00 C ATOM 591 C SER C 367 10.810 8.002 -8.493 1.00 0.00 C ATOM 592 O SER C 367 10.699 9.195 -8.212 1.00 0.00 O ATOM 593 CB SER C 367 8.846 6.799 -9.433 1.00 0.00 C ATOM 594 OG SER C 367 9.050 5.713 -8.536 1.00 0.00 O ATOM 0 H SER C 367 10.683 5.529 -10.499 1.00 0.00 H new ATOM 0 HA SER C 367 10.044 8.239 -10.488 1.00 0.00 H new ATOM 0 HB2 SER C 367 8.182 7.538 -8.984 1.00 0.00 H new ATOM 0 HB3 SER C 367 8.362 6.448 -10.344 1.00 0.00 H new ATOM 0 HG SER C 367 9.979 5.408 -8.597 1.00 0.00 H new ATOM 600 N TRP C 368 11.467 7.137 -7.728 1.00 0.00 N ATOM 601 CA TRP C 368 12.102 7.566 -6.488 1.00 0.00 C ATOM 602 C TRP C 368 13.220 8.555 -6.795 1.00 0.00 C ATOM 603 O TRP C 368 13.389 9.556 -6.101 1.00 0.00 O ATOM 604 CB TRP C 368 12.676 6.358 -5.746 1.00 0.00 C ATOM 605 CG TRP C 368 13.026 6.748 -4.345 1.00 0.00 C ATOM 606 CD1 TRP C 368 14.278 6.802 -3.834 1.00 0.00 C ATOM 607 CD2 TRP C 368 12.129 7.140 -3.268 1.00 0.00 C ATOM 608 NE1 TRP C 368 14.201 7.196 -2.508 1.00 0.00 N ATOM 609 CE2 TRP C 368 12.898 7.417 -2.115 1.00 0.00 C ATOM 610 CE3 TRP C 368 10.732 7.278 -3.182 1.00 0.00 C ATOM 611 CZ2 TRP C 368 12.304 7.817 -0.918 1.00 0.00 C ATOM 612 CZ3 TRP C 368 10.130 7.679 -1.978 1.00 0.00 C ATOM 613 CH2 TRP C 368 10.913 7.949 -0.849 1.00 0.00 C ATOM 0 H TRP C 368 11.573 6.145 -7.942 1.00 0.00 H new ATOM 0 HA TRP C 368 11.355 8.049 -5.859 1.00 0.00 H new ATOM 0 HB2 TRP C 368 11.950 5.545 -5.737 1.00 0.00 H new ATOM 0 HB3 TRP C 368 13.561 5.988 -6.263 1.00 0.00 H new ATOM 0 HD1 TRP C 368 15.187 6.575 -4.371 1.00 0.00 H new ATOM 0 HE1 TRP C 368 15.010 7.309 -1.897 1.00 0.00 H new ATOM 0 HE3 TRP C 368 10.118 7.074 -4.047 1.00 0.00 H new ATOM 0 HZ2 TRP C 368 12.914 8.023 -0.051 1.00 0.00 H new ATOM 0 HZ3 TRP C 368 9.056 7.780 -1.923 1.00 0.00 H new ATOM 0 HH2 TRP C 368 10.444 8.259 0.073 1.00 0.00 H new ATOM 624 N LEU C 369 13.988 8.260 -7.839 1.00 0.00 N ATOM 625 CA LEU C 369 15.100 9.127 -8.228 1.00 0.00 C ATOM 626 C LEU C 369 14.587 10.498 -8.667 1.00 0.00 C ATOM 627 O LEU C 369 15.212 11.521 -8.394 1.00 0.00 O ATOM 628 CB LEU C 369 15.894 8.502 -9.374 1.00 0.00 C ATOM 629 CG LEU C 369 16.473 7.140 -8.959 1.00 0.00 C ATOM 630 CD1 LEU C 369 17.236 6.536 -10.147 1.00 0.00 C ATOM 631 CD2 LEU C 369 17.420 7.296 -7.754 1.00 0.00 C ATOM 0 H LEU C 369 13.865 7.436 -8.427 1.00 0.00 H new ATOM 0 HA LEU C 369 15.749 9.245 -7.360 1.00 0.00 H new ATOM 0 HB2 LEU C 369 15.249 8.378 -10.244 1.00 0.00 H new ATOM 0 HB3 LEU C 369 16.702 9.171 -9.669 1.00 0.00 H new ATOM 0 HG LEU C 369 15.656 6.480 -8.668 1.00 0.00 H new ATOM 0 HD11 LEU C 369 17.650 5.569 -9.860 1.00 0.00 H new ATOM 0 HD12 LEU C 369 16.555 6.404 -10.988 1.00 0.00 H new ATOM 0 HD13 LEU C 369 18.046 7.205 -10.438 1.00 0.00 H new ATOM 0 HD21 LEU C 369 17.819 6.320 -7.476 1.00 0.00 H new ATOM 0 HD22 LEU C 369 18.241 7.961 -8.020 1.00 0.00 H new ATOM 0 HD23 LEU C 369 16.871 7.717 -6.912 1.00 0.00 H new ATOM 643 N GLU C 370 13.448 10.506 -9.348 1.00 0.00 N ATOM 644 CA GLU C 370 12.864 11.752 -9.824 1.00 0.00 C ATOM 645 C GLU C 370 12.389 12.606 -8.652 1.00 0.00 C ATOM 646 O GLU C 370 12.610 13.817 -8.626 1.00 0.00 O ATOM 647 CB GLU C 370 11.685 11.444 -10.743 1.00 0.00 C ATOM 648 CG GLU C 370 11.257 12.716 -11.472 1.00 0.00 C ATOM 649 CD GLU C 370 12.304 13.093 -12.515 1.00 0.00 C ATOM 650 OE1 GLU C 370 13.223 12.315 -12.712 1.00 0.00 O ATOM 651 OE2 GLU C 370 12.172 14.153 -13.105 1.00 0.00 O ATOM 0 H GLU C 370 12.914 9.669 -9.582 1.00 0.00 H new ATOM 0 HA GLU C 370 13.625 12.307 -10.373 1.00 0.00 H new ATOM 0 HB2 GLU C 370 11.964 10.676 -11.464 1.00 0.00 H new ATOM 0 HB3 GLU C 370 10.852 11.048 -10.162 1.00 0.00 H new ATOM 0 HG2 GLU C 370 10.291 12.563 -11.953 1.00 0.00 H new ATOM 0 HG3 GLU C 370 11.132 13.530 -10.758 1.00 0.00 H new ATOM 658 N GLN C 371 11.731 11.970 -7.683 1.00 0.00 N ATOM 659 CA GLN C 371 11.224 12.685 -6.512 1.00 0.00 C ATOM 660 C GLN C 371 12.301 12.816 -5.439 1.00 0.00 C ATOM 661 O GLN C 371 12.676 13.923 -5.054 1.00 0.00 O ATOM 662 CB GLN C 371 10.019 11.941 -5.930 1.00 0.00 C ATOM 663 CG GLN C 371 9.472 12.714 -4.727 1.00 0.00 C ATOM 664 CD GLN C 371 8.182 12.069 -4.234 1.00 0.00 C ATOM 665 OE1 GLN C 371 7.729 11.074 -4.800 1.00 0.00 O ATOM 666 NE2 GLN C 371 7.565 12.576 -3.203 1.00 0.00 N ATOM 0 H GLN C 371 11.538 10.969 -7.685 1.00 0.00 H new ATOM 0 HA GLN C 371 10.926 13.684 -6.830 1.00 0.00 H new ATOM 0 HB2 GLN C 371 9.244 11.833 -6.689 1.00 0.00 H new ATOM 0 HB3 GLN C 371 10.311 10.935 -5.627 1.00 0.00 H new ATOM 0 HG2 GLN C 371 10.211 12.726 -3.926 1.00 0.00 H new ATOM 0 HG3 GLN C 371 9.286 13.751 -5.005 1.00 0.00 H new ATOM 0 HE21 GLN C 371 7.944 13.400 -2.737 1.00 0.00 H new ATOM 0 HE22 GLN C 371 6.704 12.148 -2.863 1.00 0.00 H new ATOM 675 N ASP C 372 12.796 11.676 -4.960 1.00 0.00 N ATOM 676 CA ASP C 372 13.836 11.662 -3.927 1.00 0.00 C ATOM 677 C ASP C 372 15.195 11.381 -4.551 1.00 0.00 C ATOM 678 O ASP C 372 15.593 12.057 -5.495 1.00 0.00 O ATOM 679 CB ASP C 372 13.513 10.599 -2.875 1.00 0.00 C ATOM 680 CG ASP C 372 14.472 10.737 -1.697 1.00 0.00 C ATOM 681 OD1 ASP C 372 15.396 11.527 -1.804 1.00 0.00 O ATOM 682 OD2 ASP C 372 14.269 10.052 -0.710 1.00 0.00 O ATOM 0 H ASP C 372 12.496 10.751 -5.268 1.00 0.00 H new ATOM 0 HA ASP C 372 13.867 12.640 -3.447 1.00 0.00 H new ATOM 0 HB2 ASP C 372 12.484 10.711 -2.534 1.00 0.00 H new ATOM 0 HB3 ASP C 372 13.598 9.604 -3.311 1.00 0.00 H new ATOM 687 N THR C 373 15.885 10.375 -4.019 1.00 0.00 N ATOM 688 CA THR C 373 17.203 9.972 -4.529 1.00 0.00 C ATOM 689 C THR C 373 17.943 9.141 -3.489 1.00 0.00 C ATOM 690 O THR C 373 18.892 8.438 -3.814 1.00 0.00 O ATOM 691 CB THR C 373 18.070 11.200 -4.915 1.00 0.00 C ATOM 692 OG1 THR C 373 17.586 12.350 -4.235 1.00 0.00 O ATOM 693 CG2 THR C 373 18.047 11.461 -6.437 1.00 0.00 C ATOM 0 H THR C 373 15.555 9.818 -3.231 1.00 0.00 H new ATOM 0 HA THR C 373 17.034 9.375 -5.425 1.00 0.00 H new ATOM 0 HB THR C 373 19.099 10.989 -4.624 1.00 0.00 H new ATOM 0 HG1 THR C 373 16.980 12.847 -4.823 1.00 0.00 H new ATOM 0 HG21 THR C 373 18.666 12.329 -6.667 1.00 0.00 H new ATOM 0 HG22 THR C 373 18.436 10.588 -6.962 1.00 0.00 H new ATOM 0 HG23 THR C 373 17.023 11.650 -6.758 1.00 0.00 H new ATOM 701 N SER C 374 17.512 9.237 -2.245 1.00 0.00 N ATOM 702 CA SER C 374 18.153 8.497 -1.159 1.00 0.00 C ATOM 703 C SER C 374 17.621 7.076 -1.089 1.00 0.00 C ATOM 704 O SER C 374 16.690 6.719 -1.808 1.00 0.00 O ATOM 705 CB SER C 374 17.916 9.200 0.177 1.00 0.00 C ATOM 706 OG SER C 374 16.537 9.122 0.510 1.00 0.00 O ATOM 0 H SER C 374 16.724 9.816 -1.956 1.00 0.00 H new ATOM 0 HA SER C 374 19.224 8.462 -1.360 1.00 0.00 H new ATOM 0 HB2 SER C 374 18.517 8.734 0.958 1.00 0.00 H new ATOM 0 HB3 SER C 374 18.228 10.242 0.113 1.00 0.00 H new ATOM 0 HG SER C 374 16.020 9.686 -0.102 1.00 0.00 H new ATOM 712 N CYS C 375 18.219 6.263 -0.219 1.00 0.00 N ATOM 713 CA CYS C 375 17.780 4.875 -0.066 1.00 0.00 C ATOM 714 C CYS C 375 16.623 4.777 0.950 1.00 0.00 C ATOM 715 O CYS C 375 16.828 5.030 2.130 1.00 0.00 O ATOM 716 CB CYS C 375 18.939 4.017 0.425 1.00 0.00 C ATOM 717 SG CYS C 375 18.349 2.323 0.645 1.00 0.00 S ATOM 0 H CYS C 375 18.997 6.535 0.382 1.00 0.00 H new ATOM 0 HA CYS C 375 17.436 4.519 -1.037 1.00 0.00 H new ATOM 0 HB2 CYS C 375 19.759 4.042 -0.293 1.00 0.00 H new ATOM 0 HB3 CYS C 375 19.327 4.408 1.366 1.00 0.00 H new ATOM 722 N PRO C 376 15.423 4.411 0.539 1.00 0.00 N ATOM 723 CA PRO C 376 14.262 4.292 1.480 1.00 0.00 C ATOM 724 C PRO C 376 14.564 3.419 2.704 1.00 0.00 C ATOM 725 O PRO C 376 13.960 3.591 3.763 1.00 0.00 O ATOM 726 CB PRO C 376 13.154 3.648 0.628 1.00 0.00 C ATOM 727 CG PRO C 376 13.505 3.958 -0.788 1.00 0.00 C ATOM 728 CD PRO C 376 15.030 4.075 -0.841 1.00 0.00 C ATOM 0 HA PRO C 376 13.993 5.265 1.890 1.00 0.00 H new ATOM 0 HB2 PRO C 376 13.108 2.572 0.794 1.00 0.00 H new ATOM 0 HB3 PRO C 376 12.176 4.053 0.887 1.00 0.00 H new ATOM 0 HG2 PRO C 376 13.153 3.172 -1.456 1.00 0.00 H new ATOM 0 HG3 PRO C 376 13.033 4.886 -1.111 1.00 0.00 H new ATOM 0 HD2 PRO C 376 15.488 3.142 -1.168 1.00 0.00 H new ATOM 0 HD3 PRO C 376 15.345 4.848 -1.542 1.00 0.00 H new ATOM 736 N THR C 377 15.494 2.482 2.549 1.00 0.00 N ATOM 737 CA THR C 377 15.859 1.572 3.640 1.00 0.00 C ATOM 738 C THR C 377 17.184 1.979 4.272 1.00 0.00 C ATOM 739 O THR C 377 17.227 2.384 5.432 1.00 0.00 O ATOM 740 CB THR C 377 15.959 0.143 3.100 1.00 0.00 C ATOM 741 OG1 THR C 377 14.664 -0.300 2.707 1.00 0.00 O ATOM 742 CG2 THR C 377 16.515 -0.793 4.177 1.00 0.00 C ATOM 0 H THR C 377 16.010 2.330 1.682 1.00 0.00 H new ATOM 0 HA THR C 377 15.087 1.624 4.407 1.00 0.00 H new ATOM 0 HB THR C 377 16.632 0.131 2.242 1.00 0.00 H new ATOM 0 HG1 THR C 377 14.723 -1.214 2.359 1.00 0.00 H new ATOM 0 HG21 THR C 377 16.581 -1.806 3.780 1.00 0.00 H new ATOM 0 HG22 THR C 377 17.507 -0.455 4.476 1.00 0.00 H new ATOM 0 HG23 THR C 377 15.853 -0.785 5.043 1.00 0.00 H new ATOM 750 N CYS C 378 18.260 1.851 3.511 1.00 0.00 N ATOM 751 CA CYS C 378 19.576 2.195 4.026 1.00 0.00 C ATOM 752 C CYS C 378 19.621 3.660 4.453 1.00 0.00 C ATOM 753 O CYS C 378 20.424 4.042 5.305 1.00 0.00 O ATOM 754 CB CYS C 378 20.659 1.934 2.973 1.00 0.00 C ATOM 755 SG CYS C 378 20.540 0.230 2.376 1.00 0.00 S ATOM 0 H CYS C 378 18.250 1.516 2.548 1.00 0.00 H new ATOM 0 HA CYS C 378 19.769 1.565 4.894 1.00 0.00 H new ATOM 0 HB2 CYS C 378 20.544 2.629 2.141 1.00 0.00 H new ATOM 0 HB3 CYS C 378 21.645 2.110 3.402 1.00 0.00 H new ATOM 760 N ARG C 379 18.757 4.479 3.857 1.00 0.00 N ATOM 761 CA ARG C 379 18.716 5.901 4.187 1.00 0.00 C ATOM 762 C ARG C 379 20.023 6.575 3.785 1.00 0.00 C ATOM 763 O ARG C 379 20.364 7.645 4.284 1.00 0.00 O ATOM 764 CB ARG C 379 18.478 6.080 5.694 1.00 0.00 C ATOM 765 CG ARG C 379 17.860 7.456 5.960 1.00 0.00 C ATOM 766 CD ARG C 379 17.636 7.642 7.458 1.00 0.00 C ATOM 767 NE ARG C 379 17.049 8.950 7.715 1.00 0.00 N ATOM 768 CZ ARG C 379 17.015 9.458 8.940 1.00 0.00 C ATOM 769 NH1 ARG C 379 17.515 8.783 9.939 1.00 0.00 N ATOM 770 NH2 ARG C 379 16.483 10.632 9.145 1.00 0.00 N ATOM 0 H ARG C 379 18.082 4.186 3.150 1.00 0.00 H new ATOM 0 HA ARG C 379 17.898 6.366 3.637 1.00 0.00 H new ATOM 0 HB2 ARG C 379 17.816 5.296 6.063 1.00 0.00 H new ATOM 0 HB3 ARG C 379 19.420 5.983 6.235 1.00 0.00 H new ATOM 0 HG2 ARG C 379 18.517 8.239 5.581 1.00 0.00 H new ATOM 0 HG3 ARG C 379 16.914 7.549 5.427 1.00 0.00 H new ATOM 0 HD2 ARG C 379 16.979 6.859 7.836 1.00 0.00 H new ATOM 0 HD3 ARG C 379 18.583 7.548 7.990 1.00 0.00 H new ATOM 0 HE ARG C 379 16.657 9.485 6.940 1.00 0.00 H new ATOM 0 HH11 ARG C 379 17.931 7.866 9.777 1.00 0.00 H new ATOM 0 HH12 ARG C 379 17.489 9.173 10.881 1.00 0.00 H new ATOM 0 HH21 ARG C 379 16.093 11.159 8.363 1.00 0.00 H new ATOM 0 HH22 ARG C 379 16.457 11.023 10.087 1.00 0.00 H new ATOM 784 N MET C 380 20.754 5.934 2.874 1.00 0.00 N ATOM 785 CA MET C 380 22.028 6.473 2.402 1.00 0.00 C ATOM 786 C MET C 380 21.880 7.063 1.006 1.00 0.00 C ATOM 787 O MET C 380 21.246 6.469 0.131 1.00 0.00 O ATOM 788 CB MET C 380 23.086 5.367 2.379 1.00 0.00 C ATOM 789 CG MET C 380 24.439 5.963 1.983 1.00 0.00 C ATOM 790 SD MET C 380 25.714 4.682 2.062 1.00 0.00 S ATOM 791 CE MET C 380 25.105 3.654 0.701 1.00 0.00 C ATOM 0 H MET C 380 20.487 5.045 2.450 1.00 0.00 H new ATOM 0 HA MET C 380 22.340 7.263 3.085 1.00 0.00 H new ATOM 0 HB2 MET C 380 23.157 4.896 3.360 1.00 0.00 H new ATOM 0 HB3 MET C 380 22.799 4.589 1.672 1.00 0.00 H new ATOM 0 HG2 MET C 380 24.385 6.375 0.975 1.00 0.00 H new ATOM 0 HG3 MET C 380 24.694 6.786 2.650 1.00 0.00 H new ATOM 0 HE1 MET C 380 25.934 3.092 0.271 1.00 0.00 H new ATOM 0 HE2 MET C 380 24.353 2.961 1.077 1.00 0.00 H new ATOM 0 HE3 MET C 380 24.662 4.290 -0.065 1.00 0.00 H new ATOM 801 N SER C 381 22.476 8.234 0.811 1.00 0.00 N ATOM 802 CA SER C 381 22.420 8.904 -0.481 1.00 0.00 C ATOM 803 C SER C 381 23.294 8.171 -1.494 1.00 0.00 C ATOM 804 O SER C 381 24.519 8.136 -1.364 1.00 0.00 O ATOM 805 CB SER C 381 22.889 10.351 -0.342 1.00 0.00 C ATOM 806 OG SER C 381 24.170 10.372 0.274 1.00 0.00 O ATOM 0 H SER C 381 23.001 8.736 1.527 1.00 0.00 H new ATOM 0 HA SER C 381 21.389 8.896 -0.834 1.00 0.00 H new ATOM 0 HB2 SER C 381 22.936 10.826 -1.322 1.00 0.00 H new ATOM 0 HB3 SER C 381 22.176 10.921 0.254 1.00 0.00 H new ATOM 0 HG SER C 381 24.705 9.620 -0.057 1.00 0.00 H new ATOM 812 N LEU C 382 22.654 7.587 -2.498 1.00 0.00 N ATOM 813 CA LEU C 382 23.372 6.850 -3.537 1.00 0.00 C ATOM 814 C LEU C 382 24.023 7.826 -4.516 1.00 0.00 C ATOM 815 O LEU C 382 24.484 7.430 -5.587 1.00 0.00 O ATOM 816 CB LEU C 382 22.405 5.908 -4.299 1.00 0.00 C ATOM 817 CG LEU C 382 20.961 6.473 -4.248 1.00 0.00 C ATOM 818 CD1 LEU C 382 20.202 6.106 -5.527 1.00 0.00 C ATOM 819 CD2 LEU C 382 20.222 5.892 -3.033 1.00 0.00 C ATOM 0 H LEU C 382 21.641 7.607 -2.618 1.00 0.00 H new ATOM 0 HA LEU C 382 24.147 6.248 -3.063 1.00 0.00 H new ATOM 0 HB2 LEU C 382 22.727 5.804 -5.335 1.00 0.00 H new ATOM 0 HB3 LEU C 382 22.430 4.912 -3.856 1.00 0.00 H new ATOM 0 HG LEU C 382 21.012 7.559 -4.163 1.00 0.00 H new ATOM 0 HD11 LEU C 382 19.190 6.509 -5.478 1.00 0.00 H new ATOM 0 HD12 LEU C 382 20.718 6.526 -6.390 1.00 0.00 H new ATOM 0 HD13 LEU C 382 20.156 5.021 -5.625 1.00 0.00 H new ATOM 0 HD21 LEU C 382 19.208 6.290 -2.999 1.00 0.00 H new ATOM 0 HD22 LEU C 382 20.183 4.806 -3.116 1.00 0.00 H new ATOM 0 HD23 LEU C 382 20.750 6.167 -2.120 1.00 0.00 H new ATOM 831 N ASN C 383 24.049 9.099 -4.146 1.00 0.00 N ATOM 832 CA ASN C 383 24.641 10.124 -5.003 1.00 0.00 C ATOM 833 C ASN C 383 26.137 10.245 -4.737 1.00 0.00 C ATOM 834 O ASN C 383 26.554 10.768 -3.705 1.00 0.00 O ATOM 835 CB ASN C 383 23.964 11.474 -4.752 1.00 0.00 C ATOM 836 CG ASN C 383 24.462 12.501 -5.763 1.00 0.00 C ATOM 837 OD1 ASN C 383 25.172 13.439 -5.399 1.00 0.00 O ATOM 838 ND2 ASN C 383 24.133 12.378 -7.019 1.00 0.00 N ATOM 0 H ASN C 383 23.671 9.448 -3.265 1.00 0.00 H new ATOM 0 HA ASN C 383 24.490 9.832 -6.042 1.00 0.00 H new ATOM 0 HB2 ASN C 383 22.882 11.368 -4.831 1.00 0.00 H new ATOM 0 HB3 ASN C 383 24.178 11.815 -3.739 1.00 0.00 H new ATOM 0 HD21 ASN C 383 24.464 13.060 -7.702 1.00 0.00 H new ATOM 0 HD22 ASN C 383 23.545 11.600 -7.318 1.00 0.00 H new ATOM 845 N ILE C 384 26.936 9.753 -5.677 1.00 0.00 N ATOM 846 CA ILE C 384 28.387 9.805 -5.541 1.00 0.00 C ATOM 847 C ILE C 384 28.808 9.362 -4.142 1.00 0.00 C ATOM 848 O ILE C 384 29.056 8.181 -3.966 1.00 0.00 O ATOM 849 CB ILE C 384 28.885 11.228 -5.799 1.00 0.00 C ATOM 850 CG1 ILE C 384 28.207 11.790 -7.055 1.00 0.00 C ATOM 851 CG2 ILE C 384 30.402 11.214 -5.997 1.00 0.00 C ATOM 852 CD1 ILE C 384 28.363 10.810 -8.223 1.00 0.00 C ATOM 0 H ILE C 384 26.606 9.316 -6.537 1.00 0.00 H new ATOM 0 HA ILE C 384 28.828 9.128 -6.273 1.00 0.00 H new ATOM 0 HB ILE C 384 28.639 11.857 -4.943 1.00 0.00 H new ATOM 0 HG12 ILE C 384 27.150 11.967 -6.858 1.00 0.00 H new ATOM 0 HG13 ILE C 384 28.648 12.752 -7.316 1.00 0.00 H new ATOM 0 HG21 ILE C 384 30.754 12.229 -6.181 1.00 0.00 H new ATOM 0 HG22 ILE C 384 30.882 10.820 -5.101 1.00 0.00 H new ATOM 0 HG23 ILE C 384 30.652 10.583 -6.850 1.00 0.00 H new ATOM 0 HD11 ILE C 384 27.878 11.220 -9.109 1.00 0.00 H new ATOM 0 HD12 ILE C 384 29.422 10.654 -8.428 1.00 0.00 H new ATOM 0 HD13 ILE C 384 27.900 9.858 -7.963 1.00 0.00 H new TER 864 ILE C 384 HETATM 865 ZN ZN C 900 7.144 -1.598 -7.623 1.00 0.00 ZN HETATM 866 ZN ZN C 901 19.087 0.264 0.523 1.00 0.00 ZN