USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 412 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 : A 332 GLN : amide:sc= -4.27! C(o=-4.3!,f=-3.4!) USER MOD Single : A 339 TYR OH : rot 180:sc= -0.0038 USER MOD Single : A 340 ASN : amide:sc=-0.00895 K(o=-0.0089,f=-0.94) USER MOD Single : A 346 TYR OH : rot 30:sc= -2.2! USER MOD Single : A 349 GLN : amide:sc= -2.31! X(o=-2.3!,f=-2.2) USER MOD Single : A 353 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 355 GLN : amide:sc= -0.0256 K(o=-0.026,f=-1.1) USER MOD Single : A 356 HIS : no HD1:sc= -1.67 K(o=-1.7,f=-0.0077) USER MOD Single : A 358 TYR OH : rot 30:sc= -0.777 USER MOD Single : A 364 GLN : amide:sc= -10.7! C(o=-11!,f=-8.1!) USER MOD Single : A 365 ASN : amide:sc= -2.21 K(o=-2.2,f=-0.91) USER MOD Single : A 368 CYS SG : rot -125:sc= -22.9! USER MOD Single : A 376 HIS : no HD1:sc= -1.42 K(o=-1.4,f=0) USER MOD Single : A 378 SER OG : rot -0:sc= 1.22 USER MOD Single : A 380 HIS : no HE2:sc= -3.35! K(o=-3.4!,f=0.41) USER MOD Single : A 381 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 328 4.941 -7.748 3.778 1.00 0.00 N ATOM 2 CA LEU A 328 3.967 -6.673 3.741 1.00 0.00 C ATOM 3 C LEU A 328 2.813 -6.914 4.666 1.00 0.00 C ATOM 4 O LEU A 328 2.293 -5.980 5.184 1.00 0.00 O ATOM 5 CB LEU A 328 3.444 -6.600 2.318 1.00 0.00 C ATOM 6 CG LEU A 328 2.534 -5.483 1.896 1.00 0.00 C ATOM 7 CD1 LEU A 328 2.597 -5.372 0.395 1.00 0.00 C ATOM 8 CD2 LEU A 328 1.116 -5.780 2.317 1.00 0.00 C ATOM 0 HA LEU A 328 4.447 -5.748 4.060 1.00 0.00 H new ATOM 0 HB2 LEU A 328 4.311 -6.575 1.658 1.00 0.00 H new ATOM 0 HB3 LEU A 328 2.919 -7.535 2.120 1.00 0.00 H new ATOM 0 HG LEU A 328 2.848 -4.551 2.365 1.00 0.00 H new ATOM 0 HD11 LEU A 328 1.943 -4.566 0.062 1.00 0.00 H new ATOM 0 HD12 LEU A 328 3.621 -5.159 0.089 1.00 0.00 H new ATOM 0 HD13 LEU A 328 2.272 -6.311 -0.053 1.00 0.00 H new ATOM 0 HD21 LEU A 328 0.465 -4.963 2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 328 0.784 -6.707 1.849 1.00 0.00 H new ATOM 0 HD23 LEU A 328 1.073 -5.885 3.401 1.00 0.00 H new ATOM 20 N ASP A 329 2.426 -8.159 4.836 1.00 0.00 N ATOM 21 CA ASP A 329 1.130 -8.549 5.421 1.00 0.00 C ATOM 22 C ASP A 329 0.760 -7.825 6.732 1.00 0.00 C ATOM 23 O ASP A 329 -0.412 -7.559 6.955 1.00 0.00 O ATOM 24 CB ASP A 329 1.091 -10.059 5.607 1.00 0.00 C ATOM 25 CG ASP A 329 -0.249 -10.575 6.047 1.00 0.00 C ATOM 26 OD1 ASP A 329 -1.129 -10.786 5.190 1.00 0.00 O ATOM 27 OD2 ASP A 329 -0.446 -10.814 7.251 1.00 0.00 O ATOM 0 H ASP A 329 3.004 -8.956 4.571 1.00 0.00 H new ATOM 0 HA ASP A 329 0.370 -8.229 4.708 1.00 0.00 H new ATOM 0 HB2 ASP A 329 1.366 -10.540 4.668 1.00 0.00 H new ATOM 0 HB3 ASP A 329 1.841 -10.346 6.344 1.00 0.00 H new ATOM 32 N ALA A 330 1.712 -7.533 7.593 1.00 0.00 N ATOM 33 CA ALA A 330 1.406 -6.695 8.768 1.00 0.00 C ATOM 34 C ALA A 330 0.970 -5.289 8.295 1.00 0.00 C ATOM 35 O ALA A 330 1.540 -4.787 7.351 1.00 0.00 O ATOM 36 CB ALA A 330 2.609 -6.588 9.677 1.00 0.00 C ATOM 0 H ALA A 330 2.680 -7.845 7.520 1.00 0.00 H new ATOM 0 HA ALA A 330 0.596 -7.158 9.331 1.00 0.00 H new ATOM 0 HB1 ALA A 330 2.361 -5.966 10.537 1.00 0.00 H new ATOM 0 HB2 ALA A 330 2.896 -7.582 10.019 1.00 0.00 H new ATOM 0 HB3 ALA A 330 3.439 -6.139 9.131 1.00 0.00 H new ATOM 42 N PHE A 331 0.050 -4.597 8.976 1.00 0.00 N ATOM 43 CA PHE A 331 -0.404 -3.336 8.386 1.00 0.00 C ATOM 44 C PHE A 331 0.635 -2.374 8.913 1.00 0.00 C ATOM 45 O PHE A 331 0.848 -2.307 10.133 1.00 0.00 O ATOM 46 CB PHE A 331 -1.776 -2.963 8.941 1.00 0.00 C ATOM 47 CG PHE A 331 -2.417 -1.858 8.181 1.00 0.00 C ATOM 48 CD1 PHE A 331 -2.198 -0.510 8.435 1.00 0.00 C ATOM 49 CD2 PHE A 331 -3.221 -2.207 7.142 1.00 0.00 C ATOM 50 CE1 PHE A 331 -2.812 0.451 7.630 1.00 0.00 C ATOM 51 CE2 PHE A 331 -3.807 -1.286 6.359 1.00 0.00 C ATOM 52 CZ PHE A 331 -3.623 0.035 6.576 1.00 0.00 C ATOM 0 H PHE A 331 -0.368 -4.861 9.868 1.00 0.00 H new ATOM 0 HA PHE A 331 -0.500 -3.355 7.300 1.00 0.00 H new ATOM 0 HB2 PHE A 331 -2.424 -3.839 8.918 1.00 0.00 H new ATOM 0 HB3 PHE A 331 -1.674 -2.670 9.986 1.00 0.00 H new ATOM 0 HD1 PHE A 331 -1.557 -0.207 9.250 1.00 0.00 H new ATOM 0 HD2 PHE A 331 -3.393 -3.254 6.940 1.00 0.00 H new ATOM 0 HE1 PHE A 331 -2.660 1.503 7.822 1.00 0.00 H new ATOM 0 HE2 PHE A 331 -4.436 -1.607 5.542 1.00 0.00 H new ATOM 0 HZ PHE A 331 -4.101 0.763 5.937 1.00 0.00 H new ATOM 62 N GLN A 332 1.293 -1.627 8.038 1.00 0.00 N ATOM 63 CA GLN A 332 2.568 -1.229 8.472 1.00 0.00 C ATOM 64 C GLN A 332 3.036 0.051 7.845 1.00 0.00 C ATOM 65 O GLN A 332 2.575 0.433 6.740 1.00 0.00 O ATOM 66 CB GLN A 332 3.444 -2.435 8.088 1.00 0.00 C ATOM 67 CG GLN A 332 4.866 -2.531 8.562 1.00 0.00 C ATOM 68 CD GLN A 332 5.524 -3.810 7.997 1.00 0.00 C ATOM 69 OE1 GLN A 332 6.745 -3.936 7.957 1.00 0.00 O ATOM 70 NE2 GLN A 332 4.713 -4.751 7.506 1.00 0.00 N ATOM 0 H GLN A 332 0.983 -1.321 7.116 1.00 0.00 H new ATOM 0 HA GLN A 332 2.597 -0.996 9.536 1.00 0.00 H new ATOM 0 HB2 GLN A 332 2.929 -3.330 8.437 1.00 0.00 H new ATOM 0 HB3 GLN A 332 3.465 -2.483 6.999 1.00 0.00 H new ATOM 0 HG2 GLN A 332 5.425 -1.652 8.242 1.00 0.00 H new ATOM 0 HG3 GLN A 332 4.895 -2.548 9.651 1.00 0.00 H new ATOM 0 HE21 GLN A 332 3.702 -4.626 7.550 1.00 0.00 H new ATOM 0 HE22 GLN A 332 5.105 -5.595 7.088 1.00 0.00 H new ATOM 79 N GLU A 333 3.912 0.713 8.553 1.00 0.00 N ATOM 80 CA GLU A 333 4.736 1.712 7.992 1.00 0.00 C ATOM 81 C GLU A 333 6.130 1.134 8.011 1.00 0.00 C ATOM 82 O GLU A 333 6.865 1.154 8.999 1.00 0.00 O ATOM 83 CB GLU A 333 4.568 3.106 8.641 1.00 0.00 C ATOM 84 CG GLU A 333 5.040 3.247 10.069 1.00 0.00 C ATOM 85 CD GLU A 333 4.736 4.600 10.639 1.00 0.00 C ATOM 86 OE1 GLU A 333 4.146 5.438 9.930 1.00 0.00 O ATOM 87 OE2 GLU A 333 5.045 4.851 11.826 1.00 0.00 O ATOM 0 H GLU A 333 4.064 0.560 9.550 1.00 0.00 H new ATOM 0 HA GLU A 333 4.450 1.946 6.967 1.00 0.00 H new ATOM 0 HB2 GLU A 333 5.105 3.833 8.031 1.00 0.00 H new ATOM 0 HB3 GLU A 333 3.512 3.375 8.603 1.00 0.00 H new ATOM 0 HG2 GLU A 333 4.565 2.482 10.683 1.00 0.00 H new ATOM 0 HG3 GLU A 333 6.115 3.070 10.113 1.00 0.00 H new ATOM 94 N ILE A 334 6.438 0.583 6.916 1.00 0.00 N ATOM 95 CA ILE A 334 7.581 -0.225 6.710 1.00 0.00 C ATOM 96 C ILE A 334 8.676 0.591 6.051 1.00 0.00 C ATOM 97 O ILE A 334 8.409 1.313 5.127 1.00 0.00 O ATOM 98 CB ILE A 334 7.159 -1.529 5.927 1.00 0.00 C ATOM 99 CG1 ILE A 334 8.320 -2.279 5.319 1.00 0.00 C ATOM 100 CG2 ILE A 334 6.028 -1.306 4.924 1.00 0.00 C ATOM 101 CD1 ILE A 334 7.929 -3.635 4.759 1.00 0.00 C ATOM 0 H ILE A 334 5.868 0.684 6.076 1.00 0.00 H new ATOM 0 HA ILE A 334 8.006 -0.566 7.654 1.00 0.00 H new ATOM 0 HB ILE A 334 6.753 -2.181 6.700 1.00 0.00 H new ATOM 0 HG12 ILE A 334 8.756 -1.676 4.522 1.00 0.00 H new ATOM 0 HG13 ILE A 334 9.093 -2.415 6.076 1.00 0.00 H new ATOM 0 HG21 ILE A 334 5.793 -2.246 4.425 1.00 0.00 H new ATOM 0 HG22 ILE A 334 5.144 -0.942 5.448 1.00 0.00 H new ATOM 0 HG23 ILE A 334 6.339 -0.570 4.183 1.00 0.00 H new ATOM 0 HD11 ILE A 334 8.808 -4.122 4.337 1.00 0.00 H new ATOM 0 HD12 ILE A 334 7.520 -4.254 5.557 1.00 0.00 H new ATOM 0 HD13 ILE A 334 7.178 -3.504 3.980 1.00 0.00 H new ATOM 113 N PRO A 335 9.896 0.623 6.619 1.00 0.00 N ATOM 114 CA PRO A 335 10.975 1.407 6.105 1.00 0.00 C ATOM 115 C PRO A 335 11.343 0.932 4.759 1.00 0.00 C ATOM 116 O PRO A 335 11.097 -0.242 4.417 1.00 0.00 O ATOM 117 CB PRO A 335 12.107 1.207 7.123 1.00 0.00 C ATOM 118 CG PRO A 335 11.395 0.680 8.291 1.00 0.00 C ATOM 119 CD PRO A 335 10.396 -0.204 7.695 1.00 0.00 C ATOM 0 HA PRO A 335 10.730 2.463 5.990 1.00 0.00 H new ATOM 0 HB2 PRO A 335 12.861 0.509 6.759 1.00 0.00 H new ATOM 0 HB3 PRO A 335 12.620 2.142 7.348 1.00 0.00 H new ATOM 0 HG2 PRO A 335 12.063 0.140 8.961 1.00 0.00 H new ATOM 0 HG3 PRO A 335 10.933 1.476 8.875 1.00 0.00 H new ATOM 0 HD2 PRO A 335 10.834 -1.133 7.331 1.00 0.00 H new ATOM 0 HD3 PRO A 335 9.613 -0.477 8.403 1.00 0.00 H new ATOM 127 N LEU A 336 11.908 1.796 3.989 1.00 0.00 N ATOM 128 CA LEU A 336 12.336 1.440 2.680 1.00 0.00 C ATOM 129 C LEU A 336 13.325 0.287 2.775 1.00 0.00 C ATOM 130 O LEU A 336 13.330 -0.608 1.951 1.00 0.00 O ATOM 131 CB LEU A 336 12.965 2.634 1.986 1.00 0.00 C ATOM 132 CG LEU A 336 12.075 3.860 1.797 1.00 0.00 C ATOM 133 CD1 LEU A 336 12.872 4.922 1.130 1.00 0.00 C ATOM 134 CD2 LEU A 336 10.937 3.521 0.875 1.00 0.00 C ATOM 0 H LEU A 336 12.086 2.767 4.247 1.00 0.00 H new ATOM 0 HA LEU A 336 11.476 1.125 2.088 1.00 0.00 H new ATOM 0 HB2 LEU A 336 13.844 2.935 2.556 1.00 0.00 H new ATOM 0 HB3 LEU A 336 13.316 2.313 1.005 1.00 0.00 H new ATOM 0 HG LEU A 336 11.700 4.185 2.768 1.00 0.00 H new ATOM 0 HD11 LEU A 336 12.252 5.807 0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 336 13.730 5.177 1.752 1.00 0.00 H new ATOM 0 HD13 LEU A 336 13.220 4.562 0.162 1.00 0.00 H new ATOM 0 HD21 LEU A 336 10.303 4.398 0.742 1.00 0.00 H new ATOM 0 HD22 LEU A 336 11.332 3.209 -0.092 1.00 0.00 H new ATOM 0 HD23 LEU A 336 10.349 2.710 1.305 1.00 0.00 H new ATOM 146 N GLU A 337 14.099 0.308 3.842 1.00 0.00 N ATOM 147 CA GLU A 337 15.121 -0.668 4.107 1.00 0.00 C ATOM 148 C GLU A 337 14.525 -2.087 4.177 1.00 0.00 C ATOM 149 O GLU A 337 15.079 -3.056 3.647 1.00 0.00 O ATOM 150 CB GLU A 337 15.550 -0.372 5.537 1.00 0.00 C ATOM 151 CG GLU A 337 16.779 -1.114 6.016 1.00 0.00 C ATOM 152 CD GLU A 337 18.029 -0.686 5.292 1.00 0.00 C ATOM 153 OE1 GLU A 337 18.088 0.451 4.783 1.00 0.00 O ATOM 154 OE2 GLU A 337 18.978 -1.487 5.219 1.00 0.00 O ATOM 0 H GLU A 337 14.027 1.026 4.563 1.00 0.00 H new ATOM 0 HA GLU A 337 15.898 -0.623 3.344 1.00 0.00 H new ATOM 0 HB2 GLU A 337 15.735 0.698 5.628 1.00 0.00 H new ATOM 0 HB3 GLU A 337 14.721 -0.610 6.203 1.00 0.00 H new ATOM 0 HG2 GLU A 337 16.907 -0.947 7.085 1.00 0.00 H new ATOM 0 HG3 GLU A 337 16.631 -2.185 5.876 1.00 0.00 H new ATOM 161 N GLU A 338 13.397 -2.166 4.836 1.00 0.00 N ATOM 162 CA GLU A 338 12.675 -3.388 5.066 1.00 0.00 C ATOM 163 C GLU A 338 12.059 -4.002 3.807 1.00 0.00 C ATOM 164 O GLU A 338 12.039 -5.227 3.645 1.00 0.00 O ATOM 165 CB GLU A 338 11.641 -3.168 6.158 1.00 0.00 C ATOM 166 CG GLU A 338 10.886 -4.410 6.612 1.00 0.00 C ATOM 167 CD GLU A 338 11.759 -5.400 7.342 1.00 0.00 C ATOM 168 OE1 GLU A 338 12.777 -5.001 7.935 1.00 0.00 O ATOM 169 OE2 GLU A 338 11.428 -6.606 7.347 1.00 0.00 O ATOM 0 H GLU A 338 12.940 -1.349 5.242 1.00 0.00 H new ATOM 0 HA GLU A 338 13.402 -4.130 5.397 1.00 0.00 H new ATOM 0 HB2 GLU A 338 12.140 -2.732 7.023 1.00 0.00 H new ATOM 0 HB3 GLU A 338 10.917 -2.434 5.805 1.00 0.00 H new ATOM 0 HG2 GLU A 338 10.064 -4.111 7.263 1.00 0.00 H new ATOM 0 HG3 GLU A 338 10.443 -4.897 5.743 1.00 0.00 H new ATOM 176 N TYR A 339 11.608 -3.155 2.900 1.00 0.00 N ATOM 177 CA TYR A 339 10.739 -3.617 1.833 1.00 0.00 C ATOM 178 C TYR A 339 11.441 -3.629 0.502 1.00 0.00 C ATOM 179 O TYR A 339 11.980 -2.612 0.044 1.00 0.00 O ATOM 180 CB TYR A 339 9.526 -2.659 1.775 1.00 0.00 C ATOM 181 CG TYR A 339 8.396 -2.993 0.794 1.00 0.00 C ATOM 182 CD1 TYR A 339 7.338 -3.796 1.194 1.00 0.00 C ATOM 183 CD2 TYR A 339 8.350 -2.451 -0.491 1.00 0.00 C ATOM 184 CE1 TYR A 339 6.282 -4.068 0.354 1.00 0.00 C ATOM 185 CE2 TYR A 339 7.276 -2.713 -1.342 1.00 0.00 C ATOM 186 CZ TYR A 339 6.248 -3.524 -0.904 1.00 0.00 C ATOM 187 OH TYR A 339 5.169 -3.781 -1.725 1.00 0.00 O ATOM 0 H TYR A 339 11.824 -2.158 2.879 1.00 0.00 H new ATOM 0 HA TYR A 339 10.429 -4.642 2.039 1.00 0.00 H new ATOM 0 HB2 TYR A 339 9.096 -2.603 2.775 1.00 0.00 H new ATOM 0 HB3 TYR A 339 9.897 -1.663 1.532 1.00 0.00 H new ATOM 0 HD1 TYR A 339 7.343 -4.218 2.188 1.00 0.00 H new ATOM 0 HD2 TYR A 339 9.157 -1.820 -0.832 1.00 0.00 H new ATOM 0 HE1 TYR A 339 5.480 -4.710 0.686 1.00 0.00 H new ATOM 0 HE2 TYR A 339 7.249 -2.286 -2.334 1.00 0.00 H new ATOM 0 HH TYR A 339 5.294 -3.323 -2.582 1.00 0.00 H new ATOM 197 N ASN A 340 11.381 -4.757 -0.134 1.00 0.00 N ATOM 198 CA ASN A 340 11.892 -4.932 -1.457 1.00 0.00 C ATOM 199 C ASN A 340 10.750 -5.011 -2.428 1.00 0.00 C ATOM 200 O ASN A 340 9.861 -5.861 -2.295 1.00 0.00 O ATOM 201 CB ASN A 340 12.782 -6.174 -1.581 1.00 0.00 C ATOM 202 CG ASN A 340 13.465 -6.252 -2.940 1.00 0.00 C ATOM 203 OD1 ASN A 340 13.692 -5.231 -3.603 1.00 0.00 O ATOM 204 ND2 ASN A 340 13.815 -7.431 -3.355 1.00 0.00 N ATOM 0 H ASN A 340 10.966 -5.601 0.261 1.00 0.00 H new ATOM 0 HA ASN A 340 12.518 -4.070 -1.688 1.00 0.00 H new ATOM 0 HB2 ASN A 340 13.538 -6.159 -0.796 1.00 0.00 H new ATOM 0 HB3 ASN A 340 12.179 -7.069 -1.426 1.00 0.00 H new ATOM 0 HD21 ASN A 340 14.291 -7.536 -4.251 1.00 0.00 H new ATOM 0 HD22 ASN A 340 13.614 -8.253 -2.785 1.00 0.00 H new ATOM 211 N GLY A 341 10.730 -4.098 -3.331 1.00 0.00 N ATOM 212 CA GLY A 341 9.760 -4.070 -4.357 1.00 0.00 C ATOM 213 C GLY A 341 9.959 -2.829 -5.138 1.00 0.00 C ATOM 214 O GLY A 341 10.871 -2.054 -4.811 1.00 0.00 O ATOM 0 H GLY A 341 11.404 -3.334 -3.375 1.00 0.00 H new ATOM 0 HA2 GLY A 341 9.859 -4.945 -4.999 1.00 0.00 H new ATOM 0 HA3 GLY A 341 8.756 -4.097 -3.934 1.00 0.00 H new ATOM 218 N GLU A 342 9.133 -2.600 -6.135 1.00 0.00 N ATOM 219 CA GLU A 342 9.184 -1.362 -6.897 1.00 0.00 C ATOM 220 C GLU A 342 8.804 -0.184 -6.020 1.00 0.00 C ATOM 221 O GLU A 342 9.210 0.944 -6.260 1.00 0.00 O ATOM 222 CB GLU A 342 8.313 -1.434 -8.130 1.00 0.00 C ATOM 223 CG GLU A 342 8.792 -2.465 -9.130 1.00 0.00 C ATOM 224 CD GLU A 342 10.250 -2.282 -9.503 1.00 0.00 C ATOM 225 OE1 GLU A 342 10.663 -1.173 -9.861 1.00 0.00 O ATOM 226 OE2 GLU A 342 11.022 -3.270 -9.408 1.00 0.00 O ATOM 0 H GLU A 342 8.414 -3.255 -6.441 1.00 0.00 H new ATOM 0 HA GLU A 342 10.209 -1.217 -7.237 1.00 0.00 H new ATOM 0 HB2 GLU A 342 7.291 -1.670 -7.834 1.00 0.00 H new ATOM 0 HB3 GLU A 342 8.288 -0.455 -8.609 1.00 0.00 H new ATOM 0 HG2 GLU A 342 8.650 -3.463 -8.714 1.00 0.00 H new ATOM 0 HG3 GLU A 342 8.180 -2.404 -10.030 1.00 0.00 H new ATOM 233 N ARG A 343 8.077 -0.518 -4.953 1.00 0.00 N ATOM 234 CA ARG A 343 7.600 0.393 -3.936 1.00 0.00 C ATOM 235 C ARG A 343 7.100 1.766 -4.436 1.00 0.00 C ATOM 236 O ARG A 343 7.798 2.786 -4.429 1.00 0.00 O ATOM 237 CB ARG A 343 8.568 0.410 -2.712 1.00 0.00 C ATOM 238 CG ARG A 343 9.988 0.908 -2.988 1.00 0.00 C ATOM 239 CD ARG A 343 10.928 0.640 -1.805 1.00 0.00 C ATOM 240 NE ARG A 343 12.288 1.198 -2.012 1.00 0.00 N ATOM 241 CZ ARG A 343 13.438 0.680 -1.505 1.00 0.00 C ATOM 242 NH1 ARG A 343 13.429 -0.442 -0.814 1.00 0.00 N ATOM 243 NH2 ARG A 343 14.593 1.292 -1.717 1.00 0.00 N ATOM 0 H ARG A 343 7.796 -1.482 -4.775 1.00 0.00 H new ATOM 0 HA ARG A 343 6.657 -0.014 -3.571 1.00 0.00 H new ATOM 0 HB2 ARG A 343 8.129 1.036 -1.935 1.00 0.00 H new ATOM 0 HB3 ARG A 343 8.630 -0.601 -2.309 1.00 0.00 H new ATOM 0 HG2 ARG A 343 10.378 0.417 -3.880 1.00 0.00 H new ATOM 0 HG3 ARG A 343 9.963 1.977 -3.197 1.00 0.00 H new ATOM 0 HD2 ARG A 343 10.498 1.070 -0.901 1.00 0.00 H new ATOM 0 HD3 ARG A 343 11.002 -0.435 -1.643 1.00 0.00 H new ATOM 0 HE ARG A 343 12.366 2.040 -2.582 1.00 0.00 H new ATOM 0 HH11 ARG A 343 12.551 -0.935 -0.653 1.00 0.00 H new ATOM 0 HH12 ARG A 343 14.300 -0.818 -0.440 1.00 0.00 H new ATOM 0 HH21 ARG A 343 14.621 2.154 -2.262 1.00 0.00 H new ATOM 0 HH22 ARG A 343 15.455 0.901 -1.336 1.00 0.00 H new ATOM 257 N PHE A 344 5.856 1.715 -4.893 1.00 0.00 N ATOM 258 CA PHE A 344 5.070 2.831 -5.371 1.00 0.00 C ATOM 259 C PHE A 344 3.771 2.863 -4.646 1.00 0.00 C ATOM 260 O PHE A 344 3.338 1.850 -4.151 1.00 0.00 O ATOM 261 CB PHE A 344 4.806 2.828 -6.871 1.00 0.00 C ATOM 262 CG PHE A 344 6.055 2.936 -7.675 1.00 0.00 C ATOM 263 CD1 PHE A 344 6.659 4.124 -7.675 1.00 0.00 C ATOM 264 CD2 PHE A 344 6.627 1.892 -8.364 1.00 0.00 C ATOM 265 CE1 PHE A 344 7.799 4.381 -8.331 1.00 0.00 C ATOM 266 CE2 PHE A 344 7.812 2.106 -9.063 1.00 0.00 C ATOM 267 CZ PHE A 344 8.399 3.366 -9.047 1.00 0.00 C ATOM 0 H PHE A 344 5.342 0.835 -4.940 1.00 0.00 H new ATOM 0 HA PHE A 344 5.666 3.722 -5.173 1.00 0.00 H new ATOM 0 HB2 PHE A 344 4.283 1.911 -7.142 1.00 0.00 H new ATOM 0 HB3 PHE A 344 4.145 3.658 -7.121 1.00 0.00 H new ATOM 0 HD1 PHE A 344 6.203 4.926 -7.114 1.00 0.00 H new ATOM 0 HD2 PHE A 344 6.162 0.917 -8.363 1.00 0.00 H new ATOM 0 HE1 PHE A 344 8.240 5.366 -8.300 1.00 0.00 H new ATOM 0 HE2 PHE A 344 8.272 1.299 -9.614 1.00 0.00 H new ATOM 0 HZ PHE A 344 9.315 3.548 -9.589 1.00 0.00 H new ATOM 277 N CYS A 345 3.126 3.984 -4.583 1.00 0.00 N ATOM 278 CA CYS A 345 1.842 3.992 -3.973 1.00 0.00 C ATOM 279 C CYS A 345 0.809 3.712 -5.058 1.00 0.00 C ATOM 280 O CYS A 345 0.923 4.168 -6.204 1.00 0.00 O ATOM 281 CB CYS A 345 1.509 5.354 -3.427 1.00 0.00 C ATOM 282 SG CYS A 345 1.112 6.517 -4.704 1.00 0.00 S ATOM 0 H CYS A 345 3.458 4.881 -4.937 1.00 0.00 H new ATOM 0 HA CYS A 345 1.838 3.254 -3.171 1.00 0.00 H new ATOM 0 HB2 CYS A 345 0.666 5.271 -2.741 1.00 0.00 H new ATOM 0 HB3 CYS A 345 2.355 5.727 -2.850 1.00 0.00 H new ATOM 287 N TYR A 346 -0.120 2.965 -4.711 1.00 0.00 N ATOM 288 CA TYR A 346 -1.323 2.750 -5.471 1.00 0.00 C ATOM 289 C TYR A 346 -2.157 3.966 -5.768 1.00 0.00 C ATOM 290 O TYR A 346 -2.599 4.130 -6.876 1.00 0.00 O ATOM 291 CB TYR A 346 -2.054 1.956 -4.536 1.00 0.00 C ATOM 292 CG TYR A 346 -3.482 1.668 -4.716 1.00 0.00 C ATOM 293 CD1 TYR A 346 -4.105 1.316 -5.883 1.00 0.00 C ATOM 294 CD2 TYR A 346 -4.201 1.717 -3.578 1.00 0.00 C ATOM 295 CE1 TYR A 346 -5.441 1.034 -5.867 1.00 0.00 C ATOM 296 CE2 TYR A 346 -5.428 1.457 -3.512 1.00 0.00 C ATOM 297 CZ TYR A 346 -6.113 1.104 -4.666 1.00 0.00 C ATOM 298 OH TYR A 346 -7.433 0.796 -4.614 1.00 0.00 O ATOM 0 H TYR A 346 -0.099 2.435 -3.840 1.00 0.00 H new ATOM 0 HA TYR A 346 -1.092 2.348 -6.457 1.00 0.00 H new ATOM 0 HB2 TYR A 346 -1.544 0.995 -4.472 1.00 0.00 H new ATOM 0 HB3 TYR A 346 -1.950 2.438 -3.564 1.00 0.00 H new ATOM 0 HD1 TYR A 346 -3.546 1.262 -6.806 1.00 0.00 H new ATOM 0 HD2 TYR A 346 -3.692 1.997 -2.668 1.00 0.00 H new ATOM 0 HE1 TYR A 346 -5.959 0.762 -6.775 1.00 0.00 H new ATOM 0 HE2 TYR A 346 -5.945 1.508 -2.565 1.00 0.00 H new ATOM 0 HH TYR A 346 -7.641 0.131 -5.303 1.00 0.00 H new ATOM 308 N GLY A 347 -2.352 4.826 -4.784 1.00 0.00 N ATOM 309 CA GLY A 347 -3.305 5.908 -4.987 1.00 0.00 C ATOM 310 C GLY A 347 -2.949 6.811 -6.157 1.00 0.00 C ATOM 311 O GLY A 347 -3.804 7.223 -6.909 1.00 0.00 O ATOM 0 H GLY A 347 -1.889 4.804 -3.876 1.00 0.00 H new ATOM 0 HA2 GLY A 347 -4.296 5.484 -5.152 1.00 0.00 H new ATOM 0 HA3 GLY A 347 -3.362 6.508 -4.079 1.00 0.00 H new ATOM 315 N CYS A 348 -1.665 7.098 -6.306 1.00 0.00 N ATOM 316 CA CYS A 348 -1.205 7.868 -7.451 1.00 0.00 C ATOM 317 C CYS A 348 -0.925 6.931 -8.665 1.00 0.00 C ATOM 318 O CYS A 348 -0.991 7.361 -9.808 1.00 0.00 O ATOM 319 CB CYS A 348 0.053 8.732 -7.119 1.00 0.00 C ATOM 320 SG CYS A 348 -0.090 9.825 -5.648 1.00 0.00 S ATOM 0 H CYS A 348 -0.931 6.814 -5.657 1.00 0.00 H new ATOM 0 HA CYS A 348 -2.005 8.559 -7.716 1.00 0.00 H new ATOM 0 HB2 CYS A 348 0.900 8.063 -6.970 1.00 0.00 H new ATOM 0 HB3 CYS A 348 0.284 9.351 -7.986 1.00 0.00 H new ATOM 325 N GLN A 349 -0.657 5.608 -8.371 1.00 0.00 N ATOM 326 CA GLN A 349 -0.044 4.669 -9.361 1.00 0.00 C ATOM 327 C GLN A 349 1.269 5.182 -9.777 1.00 0.00 C ATOM 328 O GLN A 349 1.645 5.171 -10.943 1.00 0.00 O ATOM 329 CB GLN A 349 -0.937 4.263 -10.543 1.00 0.00 C ATOM 330 CG GLN A 349 -2.194 3.530 -10.155 1.00 0.00 C ATOM 331 CD GLN A 349 -1.861 2.197 -9.484 1.00 0.00 C ATOM 332 OE1 GLN A 349 -0.865 1.560 -9.807 1.00 0.00 O ATOM 333 NE2 GLN A 349 -2.676 1.765 -8.585 1.00 0.00 N ATOM 0 H GLN A 349 -0.857 5.182 -7.466 1.00 0.00 H new ATOM 0 HA GLN A 349 0.086 3.720 -8.841 1.00 0.00 H new ATOM 0 HB2 GLN A 349 -1.212 5.159 -11.099 1.00 0.00 H new ATOM 0 HB3 GLN A 349 -0.359 3.633 -11.219 1.00 0.00 H new ATOM 0 HG2 GLN A 349 -2.785 4.146 -9.477 1.00 0.00 H new ATOM 0 HG3 GLN A 349 -2.805 3.354 -11.040 1.00 0.00 H new ATOM 0 HE21 GLN A 349 -3.498 2.315 -8.335 1.00 0.00 H new ATOM 0 HE22 GLN A 349 -2.500 0.873 -8.123 1.00 0.00 H new ATOM 342 N GLY A 350 1.979 5.596 -8.792 1.00 0.00 N ATOM 343 CA GLY A 350 3.226 6.152 -8.991 1.00 0.00 C ATOM 344 C GLY A 350 3.732 6.764 -7.739 1.00 0.00 C ATOM 345 O GLY A 350 2.969 7.344 -6.961 1.00 0.00 O ATOM 0 H GLY A 350 1.687 5.548 -7.816 1.00 0.00 H new ATOM 0 HA2 GLY A 350 3.921 5.386 -9.334 1.00 0.00 H new ATOM 0 HA3 GLY A 350 3.172 6.907 -9.775 1.00 0.00 H new ATOM 349 N GLU A 351 4.971 6.545 -7.551 1.00 0.00 N ATOM 350 CA GLU A 351 5.836 7.074 -6.525 1.00 0.00 C ATOM 351 C GLU A 351 5.428 6.888 -5.051 1.00 0.00 C ATOM 352 O GLU A 351 4.275 7.012 -4.619 1.00 0.00 O ATOM 353 CB GLU A 351 6.302 8.476 -6.872 1.00 0.00 C ATOM 354 CG GLU A 351 7.310 9.065 -5.911 1.00 0.00 C ATOM 355 CD GLU A 351 7.693 10.479 -6.236 1.00 0.00 C ATOM 356 OE1 GLU A 351 7.217 11.029 -7.245 1.00 0.00 O ATOM 357 OE2 GLU A 351 8.467 11.087 -5.467 1.00 0.00 O ATOM 0 H GLU A 351 5.483 5.920 -8.174 1.00 0.00 H new ATOM 0 HA GLU A 351 6.694 6.402 -6.551 1.00 0.00 H new ATOM 0 HB2 GLU A 351 6.738 8.462 -7.871 1.00 0.00 H new ATOM 0 HB3 GLU A 351 5.433 9.133 -6.913 1.00 0.00 H new ATOM 0 HG2 GLU A 351 6.900 9.031 -4.902 1.00 0.00 H new ATOM 0 HG3 GLU A 351 8.206 8.445 -5.912 1.00 0.00 H new ATOM 364 N LEU A 352 6.391 6.408 -4.373 1.00 0.00 N ATOM 365 CA LEU A 352 6.529 6.278 -3.012 1.00 0.00 C ATOM 366 C LEU A 352 8.071 6.333 -2.887 1.00 0.00 C ATOM 367 O LEU A 352 8.672 6.936 -3.783 1.00 0.00 O ATOM 368 CB LEU A 352 5.745 5.004 -2.539 1.00 0.00 C ATOM 369 CG LEU A 352 6.385 3.993 -1.662 1.00 0.00 C ATOM 370 CD1 LEU A 352 6.345 4.425 -0.279 1.00 0.00 C ATOM 371 CD2 LEU A 352 5.672 2.696 -1.738 1.00 0.00 C ATOM 0 H LEU A 352 7.216 6.048 -4.852 1.00 0.00 H new ATOM 0 HA LEU A 352 6.096 7.024 -2.346 1.00 0.00 H new ATOM 0 HB2 LEU A 352 4.851 5.353 -2.023 1.00 0.00 H new ATOM 0 HB3 LEU A 352 5.412 4.483 -3.437 1.00 0.00 H new ATOM 0 HG LEU A 352 7.414 3.879 -2.003 1.00 0.00 H new ATOM 0 HD11 LEU A 352 6.819 3.672 0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 352 6.878 5.370 -0.178 1.00 0.00 H new ATOM 0 HD13 LEU A 352 5.308 4.558 0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 352 6.162 1.973 -1.086 1.00 0.00 H new ATOM 0 HD22 LEU A 352 4.638 2.830 -1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 352 5.691 2.330 -2.765 1.00 0.00 H new ATOM 383 N LYS A 353 8.698 5.726 -1.888 1.00 0.00 N ATOM 384 CA LYS A 353 10.151 5.861 -1.572 1.00 0.00 C ATOM 385 C LYS A 353 10.362 7.290 -1.113 1.00 0.00 C ATOM 386 O LYS A 353 11.454 7.845 -1.196 1.00 0.00 O ATOM 387 CB LYS A 353 10.995 5.655 -2.858 1.00 0.00 C ATOM 388 CG LYS A 353 10.872 4.308 -3.533 1.00 0.00 C ATOM 389 CD LYS A 353 11.796 4.235 -4.739 1.00 0.00 C ATOM 390 CE LYS A 353 11.626 2.942 -5.508 1.00 0.00 C ATOM 391 NZ LYS A 353 12.513 2.864 -6.685 1.00 0.00 N ATOM 0 H LYS A 353 8.212 5.102 -1.243 1.00 0.00 H new ATOM 0 HA LYS A 353 10.446 5.128 -0.821 1.00 0.00 H new ATOM 0 HB2 LYS A 353 10.715 6.425 -3.577 1.00 0.00 H new ATOM 0 HB3 LYS A 353 12.043 5.818 -2.608 1.00 0.00 H new ATOM 0 HG2 LYS A 353 11.121 3.516 -2.827 1.00 0.00 H new ATOM 0 HG3 LYS A 353 9.841 4.143 -3.846 1.00 0.00 H new ATOM 0 HD2 LYS A 353 11.596 5.078 -5.400 1.00 0.00 H new ATOM 0 HD3 LYS A 353 12.831 4.327 -4.409 1.00 0.00 H new ATOM 0 HE2 LYS A 353 11.830 2.100 -4.847 1.00 0.00 H new ATOM 0 HE3 LYS A 353 10.589 2.849 -5.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 353 12.358 1.961 -7.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 353 12.302 3.651 -7.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 353 13.505 2.925 -6.377 1.00 0.00 H new ATOM 405 N ASP A 354 9.282 7.847 -0.581 1.00 0.00 N ATOM 406 CA ASP A 354 9.240 9.195 -0.040 1.00 0.00 C ATOM 407 C ASP A 354 10.152 9.312 1.139 1.00 0.00 C ATOM 408 O ASP A 354 10.890 10.286 1.296 1.00 0.00 O ATOM 409 CB ASP A 354 7.815 9.501 0.429 1.00 0.00 C ATOM 410 CG ASP A 354 6.783 9.493 -0.690 1.00 0.00 C ATOM 411 OD1 ASP A 354 7.147 9.709 -1.865 1.00 0.00 O ATOM 412 OD2 ASP A 354 5.582 9.267 -0.401 1.00 0.00 O ATOM 0 H ASP A 354 8.389 7.359 -0.513 1.00 0.00 H new ATOM 0 HA ASP A 354 9.554 9.893 -0.816 1.00 0.00 H new ATOM 0 HB2 ASP A 354 7.526 8.768 1.182 1.00 0.00 H new ATOM 0 HB3 ASP A 354 7.804 10.477 0.913 1.00 0.00 H new ATOM 417 N GLN A 355 10.108 8.245 1.932 1.00 0.00 N ATOM 418 CA GLN A 355 10.761 8.110 3.216 1.00 0.00 C ATOM 419 C GLN A 355 10.396 6.757 3.827 1.00 0.00 C ATOM 420 O GLN A 355 11.254 5.960 4.160 1.00 0.00 O ATOM 421 CB GLN A 355 10.473 9.329 4.135 1.00 0.00 C ATOM 422 CG GLN A 355 9.020 9.554 4.525 1.00 0.00 C ATOM 423 CD GLN A 355 8.820 10.885 5.222 1.00 0.00 C ATOM 424 OE1 GLN A 355 9.496 11.862 4.928 1.00 0.00 O ATOM 425 NE2 GLN A 355 7.885 10.945 6.107 1.00 0.00 N ATOM 0 H GLN A 355 9.584 7.408 1.675 1.00 0.00 H new ATOM 0 HA GLN A 355 11.843 8.119 3.088 1.00 0.00 H new ATOM 0 HB2 GLN A 355 11.058 9.214 5.048 1.00 0.00 H new ATOM 0 HB3 GLN A 355 10.835 10.227 3.635 1.00 0.00 H new ATOM 0 HG2 GLN A 355 8.395 9.514 3.633 1.00 0.00 H new ATOM 0 HG3 GLN A 355 8.691 8.748 5.181 1.00 0.00 H new ATOM 0 HE21 GLN A 355 7.339 10.113 6.330 1.00 0.00 H new ATOM 0 HE22 GLN A 355 7.691 11.825 6.585 1.00 0.00 H new ATOM 434 N HIS A 356 9.105 6.504 3.918 1.00 0.00 N ATOM 435 CA HIS A 356 8.552 5.262 4.448 1.00 0.00 C ATOM 436 C HIS A 356 7.688 4.612 3.414 1.00 0.00 C ATOM 437 O HIS A 356 7.282 5.262 2.460 1.00 0.00 O ATOM 438 CB HIS A 356 7.688 5.515 5.691 1.00 0.00 C ATOM 439 CG HIS A 356 8.222 4.951 6.959 1.00 0.00 C ATOM 440 ND1 HIS A 356 8.399 5.681 8.097 1.00 0.00 N ATOM 441 CD2 HIS A 356 8.548 3.689 7.274 1.00 0.00 C ATOM 442 CE1 HIS A 356 8.817 4.904 9.060 1.00 0.00 C ATOM 443 NE2 HIS A 356 8.921 3.681 8.594 1.00 0.00 N ATOM 0 H HIS A 356 8.391 7.168 3.620 1.00 0.00 H new ATOM 0 HA HIS A 356 9.391 4.621 4.717 1.00 0.00 H new ATOM 0 HB2 HIS A 356 7.564 6.591 5.815 1.00 0.00 H new ATOM 0 HB3 HIS A 356 6.696 5.098 5.516 1.00 0.00 H new ATOM 0 HD2 HIS A 356 8.522 2.837 6.611 1.00 0.00 H new ATOM 0 HE1 HIS A 356 9.040 5.215 10.070 1.00 0.00 H new ATOM 0 HE2 HIS A 356 9.227 2.864 9.123 1.00 0.00 H new ATOM 452 N VAL A 357 7.428 3.341 3.621 1.00 0.00 N ATOM 453 CA VAL A 357 6.571 2.511 2.800 1.00 0.00 C ATOM 454 C VAL A 357 5.325 2.207 3.601 1.00 0.00 C ATOM 455 O VAL A 357 5.400 1.934 4.793 1.00 0.00 O ATOM 456 CB VAL A 357 7.275 1.168 2.464 1.00 0.00 C ATOM 457 CG1 VAL A 357 6.444 0.298 1.598 1.00 0.00 C ATOM 458 CG2 VAL A 357 8.596 1.389 1.811 1.00 0.00 C ATOM 0 H VAL A 357 7.829 2.830 4.408 1.00 0.00 H new ATOM 0 HA VAL A 357 6.338 3.031 1.871 1.00 0.00 H new ATOM 0 HB VAL A 357 7.426 0.663 3.418 1.00 0.00 H new ATOM 0 HG11 VAL A 357 6.980 -0.628 1.392 1.00 0.00 H new ATOM 0 HG12 VAL A 357 5.506 0.070 2.105 1.00 0.00 H new ATOM 0 HG13 VAL A 357 6.234 0.812 0.660 1.00 0.00 H new ATOM 0 HG21 VAL A 357 9.059 0.427 1.591 1.00 0.00 H new ATOM 0 HG22 VAL A 357 8.455 1.944 0.884 1.00 0.00 H new ATOM 0 HG23 VAL A 357 9.242 1.958 2.480 1.00 0.00 H new ATOM 468 N TYR A 358 4.203 2.323 2.979 1.00 0.00 N ATOM 469 CA TYR A 358 2.931 2.119 3.633 1.00 0.00 C ATOM 470 C TYR A 358 2.222 1.037 2.982 1.00 0.00 C ATOM 471 O TYR A 358 2.419 0.816 1.794 1.00 0.00 O ATOM 472 CB TYR A 358 2.141 3.358 3.493 1.00 0.00 C ATOM 473 CG TYR A 358 2.853 4.506 4.095 1.00 0.00 C ATOM 474 CD1 TYR A 358 2.882 4.684 5.465 1.00 0.00 C ATOM 475 CD2 TYR A 358 3.576 5.359 3.293 1.00 0.00 C ATOM 476 CE1 TYR A 358 3.621 5.687 6.026 1.00 0.00 C ATOM 477 CE2 TYR A 358 4.304 6.369 3.807 1.00 0.00 C ATOM 478 CZ TYR A 358 4.338 6.538 5.209 1.00 0.00 C ATOM 479 OH TYR A 358 5.089 7.540 5.789 1.00 0.00 O ATOM 0 H TYR A 358 4.128 2.564 1.991 1.00 0.00 H new ATOM 0 HA TYR A 358 3.083 1.873 4.684 1.00 0.00 H new ATOM 0 HB2 TYR A 358 1.950 3.555 2.438 1.00 0.00 H new ATOM 0 HB3 TYR A 358 1.171 3.233 3.975 1.00 0.00 H new ATOM 0 HD1 TYR A 358 2.313 4.022 6.101 1.00 0.00 H new ATOM 0 HD2 TYR A 358 3.559 5.215 2.223 1.00 0.00 H new ATOM 0 HE1 TYR A 358 3.644 5.813 7.098 1.00 0.00 H new ATOM 0 HE2 TYR A 358 4.852 7.037 3.159 1.00 0.00 H new ATOM 0 HH TYR A 358 5.394 7.250 6.674 1.00 0.00 H new ATOM 489 N VAL A 359 1.462 0.299 3.711 1.00 0.00 N ATOM 490 CA VAL A 359 0.680 -0.702 3.071 1.00 0.00 C ATOM 491 C VAL A 359 -0.796 -0.621 3.510 1.00 0.00 C ATOM 492 O VAL A 359 -1.063 -0.204 4.633 1.00 0.00 O ATOM 493 CB VAL A 359 1.268 -2.134 3.411 1.00 0.00 C ATOM 494 CG1 VAL A 359 2.740 -2.237 3.016 1.00 0.00 C ATOM 495 CG2 VAL A 359 1.110 -2.493 4.864 1.00 0.00 C ATOM 0 H VAL A 359 1.364 0.364 4.724 1.00 0.00 H new ATOM 0 HA VAL A 359 0.721 -0.535 1.995 1.00 0.00 H new ATOM 0 HB VAL A 359 0.687 -2.846 2.825 1.00 0.00 H new ATOM 0 HG11 VAL A 359 3.114 -3.231 3.262 1.00 0.00 H new ATOM 0 HG12 VAL A 359 2.842 -2.066 1.944 1.00 0.00 H new ATOM 0 HG13 VAL A 359 3.316 -1.488 3.559 1.00 0.00 H new ATOM 0 HG21 VAL A 359 1.529 -3.483 5.042 1.00 0.00 H new ATOM 0 HG22 VAL A 359 1.634 -1.761 5.479 1.00 0.00 H new ATOM 0 HG23 VAL A 359 0.052 -2.495 5.125 1.00 0.00 H new ATOM 505 N CYS A 360 -1.789 -0.978 2.635 1.00 0.00 N ATOM 506 CA CYS A 360 -3.070 -1.312 3.257 1.00 0.00 C ATOM 507 C CYS A 360 -3.169 -2.811 3.120 1.00 0.00 C ATOM 508 O CYS A 360 -3.609 -3.238 2.100 1.00 0.00 O ATOM 509 CB CYS A 360 -4.411 -0.745 2.637 1.00 0.00 C ATOM 510 SG CYS A 360 -5.763 -1.183 3.839 1.00 0.00 S ATOM 0 H CYS A 360 -1.729 -1.034 1.618 1.00 0.00 H new ATOM 0 HA CYS A 360 -3.029 -0.866 4.251 1.00 0.00 H new ATOM 0 HB2 CYS A 360 -4.349 0.334 2.496 1.00 0.00 H new ATOM 0 HB3 CYS A 360 -4.603 -1.183 1.658 1.00 0.00 H new ATOM 515 N ALA A 361 -2.910 -3.604 4.145 1.00 0.00 N ATOM 516 CA ALA A 361 -2.776 -5.083 3.934 1.00 0.00 C ATOM 517 C ALA A 361 -4.073 -5.770 3.462 1.00 0.00 C ATOM 518 O ALA A 361 -4.057 -6.866 2.928 1.00 0.00 O ATOM 519 CB ALA A 361 -2.284 -5.730 5.208 1.00 0.00 C ATOM 0 H ALA A 361 -2.788 -3.290 5.108 1.00 0.00 H new ATOM 0 HA ALA A 361 -2.055 -5.217 3.127 1.00 0.00 H new ATOM 0 HB1 ALA A 361 -2.186 -6.805 5.056 1.00 0.00 H new ATOM 0 HB2 ALA A 361 -1.314 -5.312 5.477 1.00 0.00 H new ATOM 0 HB3 ALA A 361 -2.996 -5.540 6.011 1.00 0.00 H new ATOM 525 N VAL A 362 -5.161 -5.150 3.723 1.00 0.00 N ATOM 526 CA VAL A 362 -6.452 -5.566 3.235 1.00 0.00 C ATOM 527 C VAL A 362 -6.652 -5.083 1.806 1.00 0.00 C ATOM 528 O VAL A 362 -7.198 -5.754 0.945 1.00 0.00 O ATOM 529 CB VAL A 362 -7.614 -5.115 4.156 1.00 0.00 C ATOM 530 CG1 VAL A 362 -8.977 -5.483 3.564 1.00 0.00 C ATOM 531 CG2 VAL A 362 -7.456 -5.725 5.542 1.00 0.00 C ATOM 0 H VAL A 362 -5.196 -4.309 4.300 1.00 0.00 H new ATOM 0 HA VAL A 362 -6.469 -6.656 3.243 1.00 0.00 H new ATOM 0 HB VAL A 362 -7.571 -4.029 4.238 1.00 0.00 H new ATOM 0 HG11 VAL A 362 -9.768 -5.151 4.237 1.00 0.00 H new ATOM 0 HG12 VAL A 362 -9.097 -4.996 2.596 1.00 0.00 H new ATOM 0 HG13 VAL A 362 -9.039 -6.564 3.437 1.00 0.00 H new ATOM 0 HG21 VAL A 362 -8.279 -5.400 6.179 1.00 0.00 H new ATOM 0 HG22 VAL A 362 -7.465 -6.812 5.464 1.00 0.00 H new ATOM 0 HG23 VAL A 362 -6.511 -5.400 5.977 1.00 0.00 H new ATOM 541 N CYS A 363 -6.135 -3.877 1.568 1.00 0.00 N ATOM 542 CA CYS A 363 -6.519 -3.112 0.454 1.00 0.00 C ATOM 543 C CYS A 363 -5.324 -2.770 -0.449 1.00 0.00 C ATOM 544 O CYS A 363 -4.765 -1.684 -0.337 1.00 0.00 O ATOM 545 CB CYS A 363 -7.186 -1.821 0.921 1.00 0.00 C ATOM 546 SG CYS A 363 -8.396 -2.006 2.260 1.00 0.00 S ATOM 0 H CYS A 363 -5.438 -3.430 2.164 1.00 0.00 H new ATOM 0 HA CYS A 363 -7.220 -3.710 -0.129 1.00 0.00 H new ATOM 0 HB2 CYS A 363 -6.410 -1.130 1.249 1.00 0.00 H new ATOM 0 HB3 CYS A 363 -7.683 -1.360 0.067 1.00 0.00 H new ATOM 551 N GLN A 364 -4.863 -3.798 -1.205 1.00 0.00 N ATOM 552 CA GLN A 364 -3.822 -3.847 -2.369 1.00 0.00 C ATOM 553 C GLN A 364 -2.424 -3.644 -1.900 1.00 0.00 C ATOM 554 O GLN A 364 -1.415 -3.964 -2.511 1.00 0.00 O ATOM 555 CB GLN A 364 -4.160 -2.902 -3.486 1.00 0.00 C ATOM 556 CG GLN A 364 -3.976 -1.414 -3.165 1.00 0.00 C ATOM 557 CD GLN A 364 -2.532 -0.916 -3.071 1.00 0.00 C ATOM 558 OE1 GLN A 364 -1.643 -1.400 -3.744 1.00 0.00 O ATOM 559 NE2 GLN A 364 -2.297 0.125 -2.248 1.00 0.00 N ATOM 0 H GLN A 364 -5.224 -4.736 -1.030 1.00 0.00 H new ATOM 0 HA GLN A 364 -3.883 -4.859 -2.770 1.00 0.00 H new ATOM 0 HB2 GLN A 364 -3.542 -3.150 -4.349 1.00 0.00 H new ATOM 0 HB3 GLN A 364 -5.197 -3.068 -3.779 1.00 0.00 H new ATOM 0 HG2 GLN A 364 -4.490 -0.832 -3.931 1.00 0.00 H new ATOM 0 HG3 GLN A 364 -4.473 -1.204 -2.218 1.00 0.00 H new ATOM 0 HE21 GLN A 364 -3.057 0.517 -1.692 1.00 0.00 H new ATOM 0 HE22 GLN A 364 -1.359 0.521 -2.182 1.00 0.00 H new ATOM 568 N ASN A 365 -2.501 -3.143 -0.855 1.00 0.00 N ATOM 569 CA ASN A 365 -1.672 -2.989 0.148 1.00 0.00 C ATOM 570 C ASN A 365 -0.413 -2.109 -0.055 1.00 0.00 C ATOM 571 O ASN A 365 0.402 -2.220 0.736 1.00 0.00 O ATOM 572 CB ASN A 365 -1.184 -4.371 0.589 1.00 0.00 C ATOM 573 CG ASN A 365 -2.099 -5.642 0.491 1.00 0.00 C ATOM 574 OD1 ASN A 365 -1.595 -6.746 0.328 1.00 0.00 O ATOM 575 ND2 ASN A 365 -3.385 -5.504 0.536 1.00 0.00 N ATOM 0 H ASN A 365 -3.390 -2.709 -0.607 1.00 0.00 H new ATOM 0 HA ASN A 365 -2.271 -2.445 0.879 1.00 0.00 H new ATOM 0 HB2 ASN A 365 -0.284 -4.586 0.013 1.00 0.00 H new ATOM 0 HB3 ASN A 365 -0.881 -4.280 1.632 1.00 0.00 H new ATOM 0 HD21 ASN A 365 -3.989 -6.320 0.435 1.00 0.00 H new ATOM 0 HD22 ASN A 365 -3.794 -4.580 0.672 1.00 0.00 H new ATOM 582 N VAL A 366 -0.281 -1.162 -0.991 1.00 0.00 N ATOM 583 CA VAL A 366 0.944 -0.263 -0.923 1.00 0.00 C ATOM 584 C VAL A 366 0.638 1.282 -1.041 1.00 0.00 C ATOM 585 O VAL A 366 -0.085 1.727 -1.954 1.00 0.00 O ATOM 586 CB VAL A 366 2.046 -0.704 -1.911 1.00 0.00 C ATOM 587 CG1 VAL A 366 3.314 0.094 -1.707 1.00 0.00 C ATOM 588 CG2 VAL A 366 2.309 -2.154 -1.717 1.00 0.00 C ATOM 0 H VAL A 366 -0.931 -0.982 -1.756 1.00 0.00 H new ATOM 0 HA VAL A 366 1.325 -0.398 0.089 1.00 0.00 H new ATOM 0 HB VAL A 366 1.706 -0.521 -2.930 1.00 0.00 H new ATOM 0 HG11 VAL A 366 4.071 -0.239 -2.417 1.00 0.00 H new ATOM 0 HG12 VAL A 366 3.107 1.152 -1.866 1.00 0.00 H new ATOM 0 HG13 VAL A 366 3.678 -0.055 -0.691 1.00 0.00 H new ATOM 0 HG21 VAL A 366 3.086 -2.479 -2.409 1.00 0.00 H new ATOM 0 HG22 VAL A 366 2.639 -2.330 -0.693 1.00 0.00 H new ATOM 0 HG23 VAL A 366 1.396 -2.718 -1.906 1.00 0.00 H new ATOM 598 N PHE A 367 1.205 2.079 -0.133 1.00 0.00 N ATOM 599 CA PHE A 367 1.036 3.541 -0.058 1.00 0.00 C ATOM 600 C PHE A 367 2.283 4.413 -0.035 1.00 0.00 C ATOM 601 O PHE A 367 3.359 3.961 0.289 1.00 0.00 O ATOM 602 CB PHE A 367 -0.009 4.022 0.925 1.00 0.00 C ATOM 603 CG PHE A 367 -1.330 3.566 0.536 1.00 0.00 C ATOM 604 CD1 PHE A 367 -1.936 4.160 -0.529 1.00 0.00 C ATOM 605 CD2 PHE A 367 -1.935 2.511 1.161 1.00 0.00 C ATOM 606 CE1 PHE A 367 -3.149 3.725 -0.970 1.00 0.00 C ATOM 607 CE2 PHE A 367 -3.145 2.059 0.730 1.00 0.00 C ATOM 608 CZ PHE A 367 -3.761 2.662 -0.336 1.00 0.00 C ATOM 0 H PHE A 367 1.817 1.717 0.598 1.00 0.00 H new ATOM 0 HA PHE A 367 0.639 3.706 -1.060 1.00 0.00 H new ATOM 0 HB2 PHE A 367 0.228 3.655 1.924 1.00 0.00 H new ATOM 0 HB3 PHE A 367 0.005 5.111 0.974 1.00 0.00 H new ATOM 0 HD1 PHE A 367 -1.450 4.985 -1.029 1.00 0.00 H new ATOM 0 HD2 PHE A 367 -1.451 2.034 2.000 1.00 0.00 H new ATOM 0 HE1 PHE A 367 -3.628 4.208 -1.809 1.00 0.00 H new ATOM 0 HE2 PHE A 367 -3.619 1.226 1.228 1.00 0.00 H new ATOM 0 HZ PHE A 367 -4.722 2.307 -0.679 1.00 0.00 H new ATOM 618 N CYS A 368 2.047 5.710 -0.347 1.00 0.00 N ATOM 619 CA CYS A 368 3.053 6.786 -0.348 1.00 0.00 C ATOM 620 C CYS A 368 2.623 7.717 0.742 1.00 0.00 C ATOM 621 O CYS A 368 1.483 7.579 1.211 1.00 0.00 O ATOM 622 CB CYS A 368 3.110 7.666 -1.637 1.00 0.00 C ATOM 623 SG CYS A 368 1.561 7.731 -2.552 1.00 0.00 S ATOM 0 H CYS A 368 1.120 6.041 -0.613 1.00 0.00 H new ATOM 0 HA CYS A 368 4.029 6.311 -0.247 1.00 0.00 H new ATOM 0 HB2 CYS A 368 3.398 8.680 -1.359 1.00 0.00 H new ATOM 0 HB3 CYS A 368 3.891 7.281 -2.293 1.00 0.00 H new ATOM 0 HG CYS A 368 1.769 7.370 -3.784 1.00 0.00 H new ATOM 628 N VAL A 369 3.457 8.676 1.126 1.00 0.00 N ATOM 629 CA VAL A 369 3.079 9.578 2.200 1.00 0.00 C ATOM 630 C VAL A 369 1.909 10.473 1.749 1.00 0.00 C ATOM 631 O VAL A 369 1.069 10.853 2.546 1.00 0.00 O ATOM 632 CB VAL A 369 4.268 10.447 2.762 1.00 0.00 C ATOM 633 CG1 VAL A 369 5.442 9.583 3.194 1.00 0.00 C ATOM 634 CG2 VAL A 369 4.727 11.515 1.783 1.00 0.00 C ATOM 0 H VAL A 369 4.377 8.845 0.720 1.00 0.00 H new ATOM 0 HA VAL A 369 2.765 8.948 3.032 1.00 0.00 H new ATOM 0 HB VAL A 369 3.876 10.958 3.641 1.00 0.00 H new ATOM 0 HG11 VAL A 369 6.241 10.219 3.575 1.00 0.00 H new ATOM 0 HG12 VAL A 369 5.120 8.896 3.977 1.00 0.00 H new ATOM 0 HG13 VAL A 369 5.808 9.013 2.340 1.00 0.00 H new ATOM 0 HG21 VAL A 369 5.547 12.083 2.222 1.00 0.00 H new ATOM 0 HG22 VAL A 369 5.066 11.042 0.861 1.00 0.00 H new ATOM 0 HG23 VAL A 369 3.898 12.187 1.562 1.00 0.00 H new ATOM 644 N ASP A 370 1.862 10.800 0.449 1.00 0.00 N ATOM 645 CA ASP A 370 0.704 11.509 -0.117 1.00 0.00 C ATOM 646 C ASP A 370 -0.498 10.636 0.027 1.00 0.00 C ATOM 647 O ASP A 370 -1.581 11.070 0.222 1.00 0.00 O ATOM 648 CB ASP A 370 0.924 11.896 -1.619 1.00 0.00 C ATOM 649 CG ASP A 370 -0.209 11.450 -2.578 1.00 0.00 C ATOM 650 OD1 ASP A 370 -0.265 10.187 -2.946 1.00 0.00 O ATOM 651 OD2 ASP A 370 -0.995 12.290 -3.028 1.00 0.00 O ATOM 0 H ASP A 370 2.601 10.589 -0.222 1.00 0.00 H new ATOM 0 HA ASP A 370 0.565 12.443 0.427 1.00 0.00 H new ATOM 0 HB2 ASP A 370 1.034 12.978 -1.688 1.00 0.00 H new ATOM 0 HB3 ASP A 370 1.862 11.457 -1.959 1.00 0.00 H new ATOM 656 N CYS A 371 -0.278 9.380 -0.165 1.00 0.00 N ATOM 657 CA CYS A 371 -1.323 8.480 -0.072 1.00 0.00 C ATOM 658 C CYS A 371 -1.976 8.210 1.281 1.00 0.00 C ATOM 659 O CYS A 371 -3.128 7.829 1.306 1.00 0.00 O ATOM 660 CB CYS A 371 -1.320 7.332 -1.032 1.00 0.00 C ATOM 661 SG CYS A 371 -1.588 7.767 -2.774 1.00 0.00 S ATOM 0 H CYS A 371 0.630 8.973 -0.388 1.00 0.00 H new ATOM 0 HA CYS A 371 -2.079 9.151 -0.479 1.00 0.00 H new ATOM 0 HB2 CYS A 371 -0.365 6.814 -0.948 1.00 0.00 H new ATOM 0 HB3 CYS A 371 -2.093 6.626 -0.729 1.00 0.00 H new ATOM 666 N ASP A 372 -1.260 8.287 2.404 1.00 0.00 N ATOM 667 CA ASP A 372 -2.016 8.191 3.657 1.00 0.00 C ATOM 668 C ASP A 372 -2.916 9.410 3.822 1.00 0.00 C ATOM 669 O ASP A 372 -4.032 9.321 4.307 1.00 0.00 O ATOM 670 CB ASP A 372 -1.190 7.830 4.928 1.00 0.00 C ATOM 671 CG ASP A 372 -0.163 8.833 5.414 1.00 0.00 C ATOM 672 OD1 ASP A 372 -0.185 10.001 5.023 1.00 0.00 O ATOM 673 OD2 ASP A 372 0.686 8.447 6.239 1.00 0.00 O ATOM 0 H ASP A 372 -0.250 8.405 2.479 1.00 0.00 H new ATOM 0 HA ASP A 372 -2.649 7.309 3.560 1.00 0.00 H new ATOM 0 HB2 ASP A 372 -1.891 7.648 5.742 1.00 0.00 H new ATOM 0 HB3 ASP A 372 -0.674 6.889 4.736 1.00 0.00 H new ATOM 678 N VAL A 373 -2.395 10.559 3.390 1.00 0.00 N ATOM 679 CA VAL A 373 -3.158 11.797 3.247 1.00 0.00 C ATOM 680 C VAL A 373 -4.266 11.738 2.186 1.00 0.00 C ATOM 681 O VAL A 373 -5.248 12.473 2.265 1.00 0.00 O ATOM 682 CB VAL A 373 -2.337 13.156 3.269 1.00 0.00 C ATOM 683 CG1 VAL A 373 -1.504 13.370 2.042 1.00 0.00 C ATOM 684 CG2 VAL A 373 -3.263 14.351 3.468 1.00 0.00 C ATOM 0 H VAL A 373 -1.415 10.656 3.126 1.00 0.00 H new ATOM 0 HA VAL A 373 -3.681 11.846 4.202 1.00 0.00 H new ATOM 0 HB VAL A 373 -1.653 13.071 4.114 1.00 0.00 H new ATOM 0 HG11 VAL A 373 -0.971 14.317 2.125 1.00 0.00 H new ATOM 0 HG12 VAL A 373 -0.786 12.556 1.944 1.00 0.00 H new ATOM 0 HG13 VAL A 373 -2.149 13.393 1.164 1.00 0.00 H new ATOM 0 HG21 VAL A 373 -2.675 15.269 3.479 1.00 0.00 H new ATOM 0 HG22 VAL A 373 -3.984 14.392 2.652 1.00 0.00 H new ATOM 0 HG23 VAL A 373 -3.792 14.247 4.415 1.00 0.00 H new ATOM 694 N PHE A 374 -4.114 10.788 1.242 1.00 0.00 N ATOM 695 CA PHE A 374 -4.861 10.705 -0.042 1.00 0.00 C ATOM 696 C PHE A 374 -6.349 10.784 0.271 1.00 0.00 C ATOM 697 O PHE A 374 -7.133 11.448 -0.417 1.00 0.00 O ATOM 698 CB PHE A 374 -4.581 9.296 -0.733 1.00 0.00 C ATOM 699 CG PHE A 374 -5.092 9.128 -2.143 1.00 0.00 C ATOM 700 CD1 PHE A 374 -4.353 9.607 -3.208 1.00 0.00 C ATOM 701 CD2 PHE A 374 -6.277 8.501 -2.403 1.00 0.00 C ATOM 702 CE1 PHE A 374 -4.794 9.458 -4.502 1.00 0.00 C ATOM 703 CE2 PHE A 374 -6.728 8.344 -3.698 1.00 0.00 C ATOM 704 CZ PHE A 374 -5.984 8.824 -4.748 1.00 0.00 C ATOM 0 H PHE A 374 -3.444 10.026 1.351 1.00 0.00 H new ATOM 0 HA PHE A 374 -4.549 11.513 -0.703 1.00 0.00 H new ATOM 0 HB2 PHE A 374 -3.504 9.125 -0.737 1.00 0.00 H new ATOM 0 HB3 PHE A 374 -5.025 8.517 -0.113 1.00 0.00 H new ATOM 0 HD1 PHE A 374 -3.414 10.106 -3.021 1.00 0.00 H new ATOM 0 HD2 PHE A 374 -6.870 8.123 -1.583 1.00 0.00 H new ATOM 0 HE1 PHE A 374 -4.204 9.840 -5.322 1.00 0.00 H new ATOM 0 HE2 PHE A 374 -7.666 7.843 -3.886 1.00 0.00 H new ATOM 0 HZ PHE A 374 -6.335 8.702 -5.762 1.00 0.00 H new ATOM 714 N VAL A 375 -6.698 10.114 1.321 1.00 0.00 N ATOM 715 CA VAL A 375 -8.044 10.014 1.790 1.00 0.00 C ATOM 716 C VAL A 375 -8.656 11.311 2.380 1.00 0.00 C ATOM 717 O VAL A 375 -9.846 11.573 2.191 1.00 0.00 O ATOM 718 CB VAL A 375 -8.145 8.881 2.801 1.00 0.00 C ATOM 719 CG1 VAL A 375 -7.779 7.636 2.111 1.00 0.00 C ATOM 720 CG2 VAL A 375 -7.169 9.056 3.921 1.00 0.00 C ATOM 0 H VAL A 375 -6.030 9.602 1.897 1.00 0.00 H new ATOM 0 HA VAL A 375 -8.641 9.813 0.900 1.00 0.00 H new ATOM 0 HB VAL A 375 -9.158 8.866 3.204 1.00 0.00 H new ATOM 0 HG11 VAL A 375 -7.841 6.801 2.809 1.00 0.00 H new ATOM 0 HG12 VAL A 375 -8.464 7.466 1.280 1.00 0.00 H new ATOM 0 HG13 VAL A 375 -6.760 7.716 1.731 1.00 0.00 H new ATOM 0 HG21 VAL A 375 -7.269 8.229 4.624 1.00 0.00 H new ATOM 0 HG22 VAL A 375 -6.155 9.071 3.521 1.00 0.00 H new ATOM 0 HG23 VAL A 375 -7.370 9.996 4.436 1.00 0.00 H new ATOM 730 N HIS A 376 -7.859 12.114 3.066 1.00 0.00 N ATOM 731 CA HIS A 376 -8.374 13.316 3.749 1.00 0.00 C ATOM 732 C HIS A 376 -9.080 14.329 2.864 1.00 0.00 C ATOM 733 O HIS A 376 -10.119 14.856 3.248 1.00 0.00 O ATOM 734 CB HIS A 376 -7.316 14.041 4.604 1.00 0.00 C ATOM 735 CG HIS A 376 -6.786 13.277 5.777 1.00 0.00 C ATOM 736 ND1 HIS A 376 -7.510 13.042 6.923 1.00 0.00 N ATOM 737 CD2 HIS A 376 -5.574 12.736 5.994 1.00 0.00 C ATOM 738 CE1 HIS A 376 -6.737 12.388 7.781 1.00 0.00 C ATOM 739 NE2 HIS A 376 -5.542 12.172 7.267 1.00 0.00 N ATOM 0 H HIS A 376 -6.855 11.966 3.172 1.00 0.00 H new ATOM 0 HA HIS A 376 -9.134 12.887 4.402 1.00 0.00 H new ATOM 0 HB2 HIS A 376 -6.478 14.308 3.960 1.00 0.00 H new ATOM 0 HB3 HIS A 376 -7.748 14.973 4.968 1.00 0.00 H new ATOM 0 HD2 HIS A 376 -4.754 12.739 5.291 1.00 0.00 H new ATOM 0 HE1 HIS A 376 -7.045 12.075 8.768 1.00 0.00 H new ATOM 0 HE2 HIS A 376 -4.758 11.692 7.709 1.00 0.00 H new ATOM 747 N ASP A 377 -8.525 14.584 1.687 1.00 0.00 N ATOM 748 CA ASP A 377 -8.979 15.718 0.857 1.00 0.00 C ATOM 749 C ASP A 377 -10.477 15.690 0.459 1.00 0.00 C ATOM 750 O ASP A 377 -11.151 16.719 0.539 1.00 0.00 O ATOM 751 CB ASP A 377 -8.095 15.850 -0.385 1.00 0.00 C ATOM 752 CG ASP A 377 -8.381 17.102 -1.185 1.00 0.00 C ATOM 753 OD1 ASP A 377 -7.810 18.167 -0.880 1.00 0.00 O ATOM 754 OD2 ASP A 377 -9.171 17.044 -2.146 1.00 0.00 O ATOM 0 H ASP A 377 -7.768 14.035 1.279 1.00 0.00 H new ATOM 0 HA ASP A 377 -8.877 16.597 1.493 1.00 0.00 H new ATOM 0 HB2 ASP A 377 -7.048 15.851 -0.081 1.00 0.00 H new ATOM 0 HB3 ASP A 377 -8.241 14.978 -1.022 1.00 0.00 H new ATOM 759 N SER A 378 -11.004 14.513 0.101 1.00 0.00 N ATOM 760 CA SER A 378 -12.439 14.340 -0.301 1.00 0.00 C ATOM 761 C SER A 378 -12.768 12.847 -0.474 1.00 0.00 C ATOM 762 O SER A 378 -13.773 12.498 -1.083 1.00 0.00 O ATOM 763 CB SER A 378 -12.728 15.037 -1.673 1.00 0.00 C ATOM 764 OG SER A 378 -12.607 16.459 -1.620 1.00 0.00 O ATOM 0 H SER A 378 -10.466 13.647 0.076 1.00 0.00 H new ATOM 0 HA SER A 378 -13.048 14.787 0.485 1.00 0.00 H new ATOM 0 HB2 SER A 378 -12.039 14.648 -2.423 1.00 0.00 H new ATOM 0 HB3 SER A 378 -13.735 14.777 -2.000 1.00 0.00 H new ATOM 0 HG SER A 378 -12.366 16.733 -0.711 1.00 0.00 H new ATOM 770 N LEU A 379 -11.953 11.997 0.079 1.00 0.00 N ATOM 771 CA LEU A 379 -11.975 10.593 -0.279 1.00 0.00 C ATOM 772 C LEU A 379 -12.612 9.715 0.787 1.00 0.00 C ATOM 773 O LEU A 379 -13.005 10.166 1.853 1.00 0.00 O ATOM 774 CB LEU A 379 -10.569 10.102 -0.457 1.00 0.00 C ATOM 775 CG LEU A 379 -10.301 9.152 -1.603 1.00 0.00 C ATOM 776 CD1 LEU A 379 -9.644 9.913 -2.725 1.00 0.00 C ATOM 777 CD2 LEU A 379 -9.448 7.973 -1.150 1.00 0.00 C ATOM 0 H LEU A 379 -11.259 12.245 0.784 1.00 0.00 H new ATOM 0 HA LEU A 379 -12.564 10.522 -1.194 1.00 0.00 H new ATOM 0 HB2 LEU A 379 -9.923 10.971 -0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 379 -10.265 9.609 0.467 1.00 0.00 H new ATOM 0 HG LEU A 379 -11.244 8.738 -1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 379 -9.446 9.237 -3.557 1.00 0.00 H new ATOM 0 HD12 LEU A 379 -10.305 10.714 -3.057 1.00 0.00 H new ATOM 0 HD13 LEU A 379 -8.705 10.340 -2.374 1.00 0.00 H new ATOM 0 HD21 LEU A 379 -9.271 7.306 -1.994 1.00 0.00 H new ATOM 0 HD22 LEU A 379 -8.494 8.339 -0.770 1.00 0.00 H new ATOM 0 HD23 LEU A 379 -9.968 7.429 -0.361 1.00 0.00 H new ATOM 789 N HIS A 380 -12.708 8.462 0.434 1.00 0.00 N ATOM 790 CA HIS A 380 -13.041 7.359 1.314 1.00 0.00 C ATOM 791 C HIS A 380 -11.882 7.210 2.337 1.00 0.00 C ATOM 792 O HIS A 380 -10.783 7.598 2.039 1.00 0.00 O ATOM 793 CB HIS A 380 -13.117 6.112 0.435 1.00 0.00 C ATOM 794 CG HIS A 380 -13.395 4.836 1.137 1.00 0.00 C ATOM 795 ND1 HIS A 380 -14.629 4.423 1.603 1.00 0.00 N ATOM 796 CD2 HIS A 380 -12.519 3.876 1.472 1.00 0.00 C ATOM 797 CE1 HIS A 380 -14.462 3.236 2.194 1.00 0.00 C ATOM 798 NE2 HIS A 380 -13.187 2.853 2.141 1.00 0.00 N ATOM 0 H HIS A 380 -12.548 8.160 -0.527 1.00 0.00 H new ATOM 0 HA HIS A 380 -13.980 7.513 1.845 1.00 0.00 H new ATOM 0 HB2 HIS A 380 -13.893 6.267 -0.315 1.00 0.00 H new ATOM 0 HB3 HIS A 380 -12.173 6.011 -0.100 1.00 0.00 H new ATOM 0 HD1 HIS A 380 -15.508 4.932 1.512 1.00 0.00 H new ATOM 0 HD2 HIS A 380 -11.461 3.894 1.256 1.00 0.00 H new ATOM 0 HE1 HIS A 380 -15.255 2.664 2.653 1.00 0.00 H new ATOM 806 N SER A 381 -12.146 6.642 3.512 1.00 0.00 N ATOM 807 CA SER A 381 -11.182 6.599 4.632 1.00 0.00 C ATOM 808 C SER A 381 -9.823 5.880 4.330 1.00 0.00 C ATOM 809 O SER A 381 -8.801 6.207 4.942 1.00 0.00 O ATOM 810 CB SER A 381 -11.869 5.986 5.852 1.00 0.00 C ATOM 811 OG SER A 381 -12.247 4.636 5.594 1.00 0.00 O ATOM 0 H SER A 381 -13.037 6.194 3.724 1.00 0.00 H new ATOM 0 HA SER A 381 -10.891 7.632 4.821 1.00 0.00 H new ATOM 0 HB2 SER A 381 -11.198 6.023 6.710 1.00 0.00 H new ATOM 0 HB3 SER A 381 -12.751 6.572 6.112 1.00 0.00 H new ATOM 0 HG SER A 381 -12.683 4.261 6.387 1.00 0.00 H new ATOM 817 N CYS A 382 -9.812 4.923 3.434 1.00 0.00 N ATOM 818 CA CYS A 382 -8.587 4.268 2.990 1.00 0.00 C ATOM 819 C CYS A 382 -8.768 4.052 1.508 1.00 0.00 C ATOM 820 O CYS A 382 -9.729 3.446 1.092 1.00 0.00 O ATOM 821 CB CYS A 382 -8.382 2.971 3.789 1.00 0.00 C ATOM 822 SG CYS A 382 -7.064 1.792 3.259 1.00 0.00 S ATOM 0 H CYS A 382 -10.655 4.568 2.984 1.00 0.00 H new ATOM 0 HA CYS A 382 -7.685 4.855 3.163 1.00 0.00 H new ATOM 0 HB2 CYS A 382 -8.177 3.250 4.823 1.00 0.00 H new ATOM 0 HB3 CYS A 382 -9.328 2.430 3.786 1.00 0.00 H new ATOM 827 N PRO A 383 -7.843 4.524 0.706 1.00 0.00 N ATOM 828 CA PRO A 383 -8.065 4.656 -0.745 1.00 0.00 C ATOM 829 C PRO A 383 -8.359 3.328 -1.418 1.00 0.00 C ATOM 830 O PRO A 383 -9.316 3.165 -2.171 1.00 0.00 O ATOM 831 CB PRO A 383 -6.720 5.175 -1.248 1.00 0.00 C ATOM 832 CG PRO A 383 -5.842 5.357 -0.073 1.00 0.00 C ATOM 833 CD PRO A 383 -6.492 4.849 1.125 1.00 0.00 C ATOM 0 HA PRO A 383 -8.921 5.295 -0.961 1.00 0.00 H new ATOM 0 HB2 PRO A 383 -6.277 4.470 -1.951 1.00 0.00 H new ATOM 0 HB3 PRO A 383 -6.848 6.118 -1.780 1.00 0.00 H new ATOM 0 HG2 PRO A 383 -4.898 4.836 -0.232 1.00 0.00 H new ATOM 0 HG3 PRO A 383 -5.606 6.414 0.053 1.00 0.00 H new ATOM 0 HD2 PRO A 383 -5.976 3.970 1.512 1.00 0.00 H new ATOM 0 HD3 PRO A 383 -6.493 5.594 1.920 1.00 0.00 H new ATOM 841 N GLY A 384 -7.543 2.399 -1.074 1.00 0.00 N ATOM 842 CA GLY A 384 -7.620 1.031 -1.577 1.00 0.00 C ATOM 843 C GLY A 384 -8.848 0.240 -1.338 1.00 0.00 C ATOM 844 O GLY A 384 -9.194 -0.639 -2.123 1.00 0.00 O ATOM 0 H GLY A 384 -6.775 2.549 -0.419 1.00 0.00 H new ATOM 0 HA2 GLY A 384 -7.459 1.068 -2.654 1.00 0.00 H new ATOM 0 HA3 GLY A 384 -6.785 0.477 -1.149 1.00 0.00 H new ATOM 848 N CYS A 385 -9.443 0.487 -0.250 1.00 0.00 N ATOM 849 CA CYS A 385 -10.400 -0.430 0.312 1.00 0.00 C ATOM 850 C CYS A 385 -11.640 -0.668 -0.532 1.00 0.00 C ATOM 851 O CYS A 385 -12.105 -1.784 -0.569 1.00 0.00 O ATOM 852 CB CYS A 385 -10.683 0.085 1.656 1.00 0.00 C ATOM 853 SG CYS A 385 -9.157 0.837 2.203 1.00 0.00 S ATOM 0 H CYS A 385 -9.296 1.333 0.301 1.00 0.00 H new ATOM 0 HA CYS A 385 -9.983 -1.436 0.348 1.00 0.00 H new ATOM 0 HB2 CYS A 385 -11.495 0.812 1.636 1.00 0.00 H new ATOM 0 HB3 CYS A 385 -10.990 -0.717 2.328 1.00 0.00 H new ATOM 858 N ILE A 386 -12.145 0.351 -1.238 1.00 0.00 N ATOM 859 CA ILE A 386 -13.302 0.132 -2.122 1.00 0.00 C ATOM 860 C ILE A 386 -12.970 -0.898 -3.206 1.00 0.00 C ATOM 861 O ILE A 386 -13.752 -1.797 -3.511 1.00 0.00 O ATOM 862 CB ILE A 386 -13.751 1.454 -2.812 1.00 0.00 C ATOM 863 CG1 ILE A 386 -14.130 2.499 -1.765 1.00 0.00 C ATOM 864 CG2 ILE A 386 -14.931 1.202 -3.760 1.00 0.00 C ATOM 865 CD1 ILE A 386 -14.486 3.851 -2.352 1.00 0.00 C ATOM 0 H ILE A 386 -11.787 1.306 -1.219 1.00 0.00 H new ATOM 0 HA ILE A 386 -14.114 -0.238 -1.496 1.00 0.00 H new ATOM 0 HB ILE A 386 -12.914 1.832 -3.399 1.00 0.00 H new ATOM 0 HG12 ILE A 386 -14.977 2.130 -1.187 1.00 0.00 H new ATOM 0 HG13 ILE A 386 -13.299 2.622 -1.070 1.00 0.00 H new ATOM 0 HG21 ILE A 386 -15.227 2.140 -4.230 1.00 0.00 H new ATOM 0 HG22 ILE A 386 -14.634 0.489 -4.529 1.00 0.00 H new ATOM 0 HG23 ILE A 386 -15.771 0.798 -3.195 1.00 0.00 H new ATOM 0 HD11 ILE A 386 -14.744 4.540 -1.548 1.00 0.00 H new ATOM 0 HD12 ILE A 386 -13.633 4.243 -2.906 1.00 0.00 H new ATOM 0 HD13 ILE A 386 -15.337 3.743 -3.024 1.00 0.00 H new TER 877 ILE A 386 HETATM 878 ZN ZN A 1 0.405 8.452 -3.775 1.00 0.00 ZN HETATM 879 ZN ZN A 2 -7.985 -0.289 3.805 1.00 0.00 ZN