USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 588 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 45 HIS HD1 : A 45 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 29 LYS NZ :NH3+ 180:sc= -0.0083 (180deg=0) USER MOD Set 1.2: A 61 MET CE :methyl 152:sc= -0.143 (180deg=0) USER MOD Set 2.1: A 2 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.0924 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -1.2 X(o=-1.2,f=-1.6) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.619 K(o=-0.62,f=0) USER MOD Single : A 23 GLN : amide:sc= -5.21! C(o=-5.2!,f=-4.2!) USER MOD Single : A 26 LYS NZ :NH3+ -149:sc= -0.677 (180deg=-2.1) USER MOD Single : A 32 MET CE :methyl -154:sc= 0 (180deg=-1.12) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot -125:sc= 0.34 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.306 X(o=-0.31,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -109:sc= -0.264 (180deg=-1.84!) USER MOD Single : A 70 GLN : amide:sc= -1.66! X(o=-1.7!,f=-2.2) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 143:sc= -0.205 (180deg=-0.926) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -40.607 -41.726 23.763 1.00 0.00 N ATOM 2 CA GLY A 1 -39.594 -41.303 22.814 1.00 0.00 C ATOM 3 C GLY A 1 -38.326 -42.129 22.912 1.00 0.00 C ATOM 4 O GLY A 1 -38.210 -42.999 23.775 1.00 0.00 O ATOM 0 H1 GLY A 1 -41.442 -42.071 23.248 1.00 0.00 H new ATOM 0 H2 GLY A 1 -40.228 -42.490 24.358 1.00 0.00 H new ATOM 0 H3 GLY A 1 -40.878 -40.921 24.363 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -39.995 -41.377 21.803 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -39.355 -40.254 22.986 1.00 0.00 H new ATOM 8 N SER A 2 -37.374 -41.857 22.025 1.00 0.00 N ATOM 9 CA SER A 2 -36.111 -42.585 22.013 1.00 0.00 C ATOM 10 C SER A 2 -34.928 -41.622 22.028 1.00 0.00 C ATOM 11 O SER A 2 -34.120 -41.628 22.956 1.00 0.00 O ATOM 12 CB SER A 2 -36.031 -43.489 20.781 1.00 0.00 C ATOM 13 OG SER A 2 -34.751 -44.087 20.669 1.00 0.00 O ATOM 0 H SER A 2 -37.454 -41.138 21.306 1.00 0.00 H new ATOM 0 HA SER A 2 -36.067 -43.201 22.911 1.00 0.00 H new ATOM 0 HB2 SER A 2 -36.794 -44.265 20.845 1.00 0.00 H new ATOM 0 HB3 SER A 2 -36.243 -42.907 19.884 1.00 0.00 H new ATOM 0 HG SER A 2 -34.726 -44.661 19.875 1.00 0.00 H new ATOM 19 N SER A 3 -34.834 -40.794 20.992 1.00 0.00 N ATOM 20 CA SER A 3 -33.749 -39.826 20.883 1.00 0.00 C ATOM 21 C SER A 3 -34.030 -38.817 19.774 1.00 0.00 C ATOM 22 O SER A 3 -34.845 -39.065 18.886 1.00 0.00 O ATOM 23 CB SER A 3 -32.424 -40.542 20.613 1.00 0.00 C ATOM 24 OG SER A 3 -32.514 -41.362 19.461 1.00 0.00 O ATOM 0 H SER A 3 -35.496 -40.774 20.216 1.00 0.00 H new ATOM 0 HA SER A 3 -33.678 -39.289 21.829 1.00 0.00 H new ATOM 0 HB2 SER A 3 -31.630 -39.807 20.479 1.00 0.00 H new ATOM 0 HB3 SER A 3 -32.153 -41.150 21.476 1.00 0.00 H new ATOM 0 HG SER A 3 -31.654 -41.807 19.309 1.00 0.00 H new ATOM 30 N GLY A 4 -33.349 -37.677 19.833 1.00 0.00 N ATOM 31 CA GLY A 4 -33.539 -36.646 18.829 1.00 0.00 C ATOM 32 C GLY A 4 -33.004 -35.299 19.273 1.00 0.00 C ATOM 33 O GLY A 4 -33.728 -34.503 19.871 1.00 0.00 O ATOM 0 H GLY A 4 -32.669 -37.449 20.558 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -33.041 -36.945 17.907 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -34.601 -36.555 18.603 1.00 0.00 H new ATOM 37 N SER A 5 -31.733 -35.043 18.980 1.00 0.00 N ATOM 38 CA SER A 5 -31.100 -33.785 19.358 1.00 0.00 C ATOM 39 C SER A 5 -29.805 -33.573 18.580 1.00 0.00 C ATOM 40 O SER A 5 -28.841 -34.321 18.743 1.00 0.00 O ATOM 41 CB SER A 5 -30.815 -33.764 20.861 1.00 0.00 C ATOM 42 OG SER A 5 -30.152 -32.569 21.238 1.00 0.00 O ATOM 0 H SER A 5 -31.121 -35.690 18.482 1.00 0.00 H new ATOM 0 HA SER A 5 -31.786 -32.974 19.115 1.00 0.00 H new ATOM 0 HB2 SER A 5 -31.751 -33.854 21.413 1.00 0.00 H new ATOM 0 HB3 SER A 5 -30.202 -34.624 21.130 1.00 0.00 H new ATOM 0 HG SER A 5 -29.983 -32.579 22.203 1.00 0.00 H new ATOM 48 N SER A 6 -29.791 -32.548 17.734 1.00 0.00 N ATOM 49 CA SER A 6 -28.616 -32.239 16.927 1.00 0.00 C ATOM 50 C SER A 6 -28.121 -30.824 17.209 1.00 0.00 C ATOM 51 O SER A 6 -28.878 -29.968 17.665 1.00 0.00 O ATOM 52 CB SER A 6 -28.939 -32.392 15.439 1.00 0.00 C ATOM 53 OG SER A 6 -30.038 -31.578 15.070 1.00 0.00 O ATOM 0 H SER A 6 -30.580 -31.918 17.589 1.00 0.00 H new ATOM 0 HA SER A 6 -27.826 -32.941 17.194 1.00 0.00 H new ATOM 0 HB2 SER A 6 -28.066 -32.122 14.844 1.00 0.00 H new ATOM 0 HB3 SER A 6 -29.165 -33.435 15.218 1.00 0.00 H new ATOM 0 HG SER A 6 -30.223 -31.692 14.115 1.00 0.00 H new ATOM 59 N GLY A 7 -26.842 -30.585 16.933 1.00 0.00 N ATOM 60 CA GLY A 7 -26.266 -29.273 17.163 1.00 0.00 C ATOM 61 C GLY A 7 -24.837 -29.172 16.666 1.00 0.00 C ATOM 62 O GLY A 7 -23.899 -29.541 17.372 1.00 0.00 O ATOM 0 H GLY A 7 -26.195 -31.277 16.554 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -26.875 -28.520 16.664 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -26.293 -29.049 18.229 1.00 0.00 H new ATOM 66 N SER A 8 -24.671 -28.672 15.445 1.00 0.00 N ATOM 67 CA SER A 8 -23.347 -28.529 14.852 1.00 0.00 C ATOM 68 C SER A 8 -23.348 -27.447 13.776 1.00 0.00 C ATOM 69 O SER A 8 -24.197 -27.444 12.883 1.00 0.00 O ATOM 70 CB SER A 8 -22.887 -29.859 14.253 1.00 0.00 C ATOM 71 OG SER A 8 -21.646 -29.715 13.584 1.00 0.00 O ATOM 0 H SER A 8 -25.437 -28.360 14.848 1.00 0.00 H new ATOM 0 HA SER A 8 -22.653 -28.234 15.639 1.00 0.00 H new ATOM 0 HB2 SER A 8 -22.794 -30.604 15.043 1.00 0.00 H new ATOM 0 HB3 SER A 8 -23.639 -30.227 13.555 1.00 0.00 H new ATOM 0 HG SER A 8 -21.373 -30.579 13.212 1.00 0.00 H new ATOM 77 N LEU A 9 -22.392 -26.530 13.867 1.00 0.00 N ATOM 78 CA LEU A 9 -22.281 -25.442 12.902 1.00 0.00 C ATOM 79 C LEU A 9 -20.877 -24.847 12.912 1.00 0.00 C ATOM 80 O LEU A 9 -20.200 -24.847 13.939 1.00 0.00 O ATOM 81 CB LEU A 9 -23.311 -24.353 13.210 1.00 0.00 C ATOM 82 CG LEU A 9 -22.984 -23.434 14.388 1.00 0.00 C ATOM 83 CD1 LEU A 9 -23.801 -22.154 14.309 1.00 0.00 C ATOM 84 CD2 LEU A 9 -23.235 -24.149 15.708 1.00 0.00 C ATOM 0 H LEU A 9 -21.682 -26.518 14.599 1.00 0.00 H new ATOM 0 HA LEU A 9 -22.477 -25.848 11.910 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -23.437 -23.738 12.319 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -24.270 -24.833 13.405 1.00 0.00 H new ATOM 0 HG LEU A 9 -21.928 -23.170 14.336 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -23.555 -21.513 15.155 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -23.571 -21.633 13.380 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -24.863 -22.398 14.335 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -22.997 -23.480 16.535 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -24.283 -24.443 15.769 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -22.605 -25.037 15.766 1.00 0.00 H new ATOM 96 N GLN A 10 -20.447 -24.338 11.761 1.00 0.00 N ATOM 97 CA GLN A 10 -19.124 -23.738 11.638 1.00 0.00 C ATOM 98 C GLN A 10 -19.155 -22.538 10.699 1.00 0.00 C ATOM 99 O GLN A 10 -19.709 -22.609 9.601 1.00 0.00 O ATOM 100 CB GLN A 10 -18.117 -24.772 11.130 1.00 0.00 C ATOM 101 CG GLN A 10 -18.413 -25.271 9.725 1.00 0.00 C ATOM 102 CD GLN A 10 -19.668 -26.118 9.659 1.00 0.00 C ATOM 103 OE1 GLN A 10 -20.672 -25.718 9.069 1.00 0.00 O ATOM 104 NE2 GLN A 10 -19.618 -27.298 10.266 1.00 0.00 N ATOM 0 H GLN A 10 -20.996 -24.329 10.901 1.00 0.00 H new ATOM 0 HA GLN A 10 -18.816 -23.395 12.626 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -17.119 -24.334 11.148 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -18.105 -25.621 11.813 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -18.520 -24.418 9.055 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -17.566 -25.855 9.365 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -18.765 -27.590 10.743 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -20.432 -27.912 10.255 1.00 0.00 H new ATOM 113 N LYS A 11 -18.558 -21.435 11.136 1.00 0.00 N ATOM 114 CA LYS A 11 -18.516 -20.217 10.335 1.00 0.00 C ATOM 115 C LYS A 11 -17.255 -19.412 10.633 1.00 0.00 C ATOM 116 O LYS A 11 -17.121 -18.829 11.708 1.00 0.00 O ATOM 117 CB LYS A 11 -19.756 -19.362 10.604 1.00 0.00 C ATOM 118 CG LYS A 11 -21.061 -20.055 10.255 1.00 0.00 C ATOM 119 CD LYS A 11 -21.343 -19.993 8.763 1.00 0.00 C ATOM 120 CE LYS A 11 -21.943 -18.653 8.364 1.00 0.00 C ATOM 121 NZ LYS A 11 -22.291 -18.609 6.917 1.00 0.00 N ATOM 0 H LYS A 11 -18.096 -21.359 12.042 1.00 0.00 H new ATOM 0 HA LYS A 11 -18.502 -20.504 9.284 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -19.773 -19.083 11.658 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -19.681 -18.438 10.031 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -21.018 -21.096 10.575 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -21.880 -19.587 10.801 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -20.418 -20.158 8.210 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -22.027 -20.796 8.487 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -22.837 -18.464 8.958 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -21.235 -17.856 8.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -22.697 -17.680 6.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -21.434 -18.764 6.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -22.986 -19.353 6.704 1.00 0.00 H new ATOM 135 N GLU A 12 -16.335 -19.385 9.674 1.00 0.00 N ATOM 136 CA GLU A 12 -15.086 -18.650 9.835 1.00 0.00 C ATOM 137 C GLU A 12 -15.327 -17.145 9.771 1.00 0.00 C ATOM 138 O GLU A 12 -16.467 -16.693 9.655 1.00 0.00 O ATOM 139 CB GLU A 12 -14.082 -19.063 8.757 1.00 0.00 C ATOM 140 CG GLU A 12 -13.202 -20.234 9.160 1.00 0.00 C ATOM 141 CD GLU A 12 -12.683 -20.112 10.580 1.00 0.00 C ATOM 142 OE1 GLU A 12 -11.677 -19.401 10.785 1.00 0.00 O ATOM 143 OE2 GLU A 12 -13.283 -20.727 11.486 1.00 0.00 O ATOM 0 H GLU A 12 -16.431 -19.863 8.778 1.00 0.00 H new ATOM 0 HA GLU A 12 -14.676 -18.893 10.815 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -14.624 -19.323 7.848 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -13.448 -18.209 8.517 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -13.769 -21.160 9.063 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -12.358 -20.303 8.473 1.00 0.00 H new ATOM 150 N ILE A 13 -14.248 -16.375 9.848 1.00 0.00 N ATOM 151 CA ILE A 13 -14.342 -14.921 9.798 1.00 0.00 C ATOM 152 C ILE A 13 -14.573 -14.434 8.371 1.00 0.00 C ATOM 153 O ILE A 13 -14.171 -15.088 7.409 1.00 0.00 O ATOM 154 CB ILE A 13 -13.071 -14.255 10.356 1.00 0.00 C ATOM 155 CG1 ILE A 13 -12.752 -14.802 11.749 1.00 0.00 C ATOM 156 CG2 ILE A 13 -13.240 -12.744 10.402 1.00 0.00 C ATOM 157 CD1 ILE A 13 -11.401 -14.368 12.274 1.00 0.00 C ATOM 0 H ILE A 13 -13.298 -16.733 9.945 1.00 0.00 H new ATOM 0 HA ILE A 13 -15.192 -14.638 10.418 1.00 0.00 H new ATOM 0 HB ILE A 13 -12.237 -14.488 9.694 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -13.525 -14.475 12.445 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -12.789 -15.891 11.720 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -12.333 -12.288 10.799 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -13.425 -12.368 9.396 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -14.084 -12.492 11.044 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -11.242 -14.793 13.265 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -10.619 -14.718 11.600 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -11.367 -13.280 12.336 1.00 0.00 H new ATOM 169 N SER A 14 -15.220 -13.280 8.243 1.00 0.00 N ATOM 170 CA SER A 14 -15.507 -12.706 6.934 1.00 0.00 C ATOM 171 C SER A 14 -14.348 -11.835 6.458 1.00 0.00 C ATOM 172 O SER A 14 -13.512 -11.402 7.253 1.00 0.00 O ATOM 173 CB SER A 14 -16.792 -11.878 6.987 1.00 0.00 C ATOM 174 OG SER A 14 -17.193 -11.474 5.689 1.00 0.00 O ATOM 0 H SER A 14 -15.555 -12.724 9.030 1.00 0.00 H new ATOM 0 HA SER A 14 -15.640 -13.525 6.227 1.00 0.00 H new ATOM 0 HB2 SER A 14 -17.586 -12.463 7.451 1.00 0.00 H new ATOM 0 HB3 SER A 14 -16.636 -10.999 7.613 1.00 0.00 H new ATOM 0 HG SER A 14 -18.018 -10.948 5.750 1.00 0.00 H new ATOM 180 N THR A 15 -14.303 -11.582 5.153 1.00 0.00 N ATOM 181 CA THR A 15 -13.247 -10.765 4.569 1.00 0.00 C ATOM 182 C THR A 15 -13.115 -9.433 5.299 1.00 0.00 C ATOM 183 O THR A 15 -12.009 -8.929 5.493 1.00 0.00 O ATOM 184 CB THR A 15 -13.507 -10.496 3.075 1.00 0.00 C ATOM 185 OG1 THR A 15 -12.382 -9.826 2.495 1.00 0.00 O ATOM 186 CG2 THR A 15 -14.758 -9.651 2.887 1.00 0.00 C ATOM 0 H THR A 15 -14.986 -11.932 4.481 1.00 0.00 H new ATOM 0 HA THR A 15 -12.318 -11.326 4.673 1.00 0.00 H new ATOM 0 HB THR A 15 -13.656 -11.454 2.577 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.554 -9.660 1.545 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.921 -9.474 1.824 1.00 0.00 H new ATOM 0 HG22 THR A 15 -15.618 -10.176 3.304 1.00 0.00 H new ATOM 0 HG23 THR A 15 -14.633 -8.697 3.399 1.00 0.00 H new ATOM 194 N GLU A 16 -14.249 -8.869 5.701 1.00 0.00 N ATOM 195 CA GLU A 16 -14.259 -7.595 6.409 1.00 0.00 C ATOM 196 C GLU A 16 -13.400 -7.666 7.669 1.00 0.00 C ATOM 197 O GLU A 16 -12.463 -6.886 7.838 1.00 0.00 O ATOM 198 CB GLU A 16 -15.691 -7.201 6.777 1.00 0.00 C ATOM 199 CG GLU A 16 -16.525 -6.759 5.587 1.00 0.00 C ATOM 200 CD GLU A 16 -17.849 -6.143 5.998 1.00 0.00 C ATOM 201 OE1 GLU A 16 -18.799 -6.906 6.270 1.00 0.00 O ATOM 202 OE2 GLU A 16 -17.933 -4.898 6.049 1.00 0.00 O ATOM 0 H GLU A 16 -15.173 -9.274 5.548 1.00 0.00 H new ATOM 0 HA GLU A 16 -13.841 -6.838 5.746 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -16.180 -8.048 7.258 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -15.660 -6.393 7.508 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -15.959 -6.036 5.000 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -16.713 -7.617 4.941 1.00 0.00 H new ATOM 209 N GLU A 17 -13.727 -8.607 8.549 1.00 0.00 N ATOM 210 CA GLU A 17 -12.987 -8.779 9.793 1.00 0.00 C ATOM 211 C GLU A 17 -11.565 -9.261 9.518 1.00 0.00 C ATOM 212 O GLU A 17 -10.594 -8.598 9.883 1.00 0.00 O ATOM 213 CB GLU A 17 -13.706 -9.774 10.707 1.00 0.00 C ATOM 214 CG GLU A 17 -14.726 -9.126 11.628 1.00 0.00 C ATOM 215 CD GLU A 17 -15.959 -8.647 10.888 1.00 0.00 C ATOM 216 OE1 GLU A 17 -16.852 -9.479 10.623 1.00 0.00 O ATOM 217 OE2 GLU A 17 -16.031 -7.440 10.573 1.00 0.00 O ATOM 0 H GLU A 17 -14.499 -9.261 8.423 1.00 0.00 H new ATOM 0 HA GLU A 17 -12.935 -7.811 10.291 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -14.207 -10.522 10.093 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.966 -10.300 11.311 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -15.022 -9.841 12.396 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -14.263 -8.282 12.140 1.00 0.00 H new ATOM 224 N GLN A 18 -11.452 -10.417 8.873 1.00 0.00 N ATOM 225 CA GLN A 18 -10.150 -10.988 8.550 1.00 0.00 C ATOM 226 C GLN A 18 -9.171 -9.900 8.120 1.00 0.00 C ATOM 227 O GLN A 18 -8.152 -9.674 8.775 1.00 0.00 O ATOM 228 CB GLN A 18 -10.288 -12.033 7.442 1.00 0.00 C ATOM 229 CG GLN A 18 -10.891 -13.346 7.916 1.00 0.00 C ATOM 230 CD GLN A 18 -10.957 -14.388 6.817 1.00 0.00 C ATOM 231 OE1 GLN A 18 -10.168 -15.333 6.793 1.00 0.00 O ATOM 232 NE2 GLN A 18 -11.902 -14.222 5.898 1.00 0.00 N ATOM 0 H GLN A 18 -12.246 -10.977 8.564 1.00 0.00 H new ATOM 0 HA GLN A 18 -9.760 -11.470 9.447 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -10.908 -11.625 6.644 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.305 -12.228 7.013 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -10.300 -13.735 8.745 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -11.895 -13.163 8.299 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -12.535 -13.424 5.956 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -11.994 -14.892 5.135 1.00 0.00 H new ATOM 241 N LEU A 19 -9.485 -9.231 7.017 1.00 0.00 N ATOM 242 CA LEU A 19 -8.632 -8.167 6.499 1.00 0.00 C ATOM 243 C LEU A 19 -8.259 -7.182 7.603 1.00 0.00 C ATOM 244 O LEU A 19 -7.083 -6.882 7.808 1.00 0.00 O ATOM 245 CB LEU A 19 -9.338 -7.429 5.360 1.00 0.00 C ATOM 246 CG LEU A 19 -9.134 -8.007 3.958 1.00 0.00 C ATOM 247 CD1 LEU A 19 -9.430 -9.498 3.948 1.00 0.00 C ATOM 248 CD2 LEU A 19 -10.012 -7.280 2.949 1.00 0.00 C ATOM 0 H LEU A 19 -10.324 -9.406 6.464 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.718 -8.622 6.118 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.407 -7.412 5.572 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.997 -6.394 5.358 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.092 -7.862 3.674 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -9.280 -9.892 2.943 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.760 -10.007 4.641 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.463 -9.666 4.253 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.854 -7.704 1.957 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.059 -7.393 3.230 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -9.752 -6.221 2.937 1.00 0.00 H new ATOM 260 N ARG A 20 -9.267 -6.685 8.311 1.00 0.00 N ATOM 261 CA ARG A 20 -9.045 -5.736 9.395 1.00 0.00 C ATOM 262 C ARG A 20 -7.944 -6.226 10.330 1.00 0.00 C ATOM 263 O ARG A 20 -7.397 -5.456 11.119 1.00 0.00 O ATOM 264 CB ARG A 20 -10.338 -5.516 10.182 1.00 0.00 C ATOM 265 CG ARG A 20 -11.360 -4.663 9.449 1.00 0.00 C ATOM 266 CD ARG A 20 -10.984 -3.190 9.482 1.00 0.00 C ATOM 267 NE ARG A 20 -11.034 -2.643 10.835 1.00 0.00 N ATOM 268 CZ ARG A 20 -9.994 -2.631 11.661 1.00 0.00 C ATOM 269 NH1 ARG A 20 -8.830 -3.135 11.275 1.00 0.00 N ATOM 270 NH2 ARG A 20 -10.118 -2.115 12.877 1.00 0.00 N ATOM 0 H ARG A 20 -10.246 -6.924 8.154 1.00 0.00 H new ATOM 0 HA ARG A 20 -8.730 -4.789 8.956 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.783 -6.484 10.411 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.098 -5.042 11.134 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.438 -4.996 8.414 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.342 -4.799 9.903 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.980 -3.063 9.076 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.661 -2.628 8.839 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.915 -2.249 11.164 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.731 -3.533 10.341 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.033 -3.124 11.912 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.012 -1.727 13.178 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.319 -2.106 13.511 1.00 0.00 H new ATOM 284 N ARG A 21 -7.625 -7.513 10.237 1.00 0.00 N ATOM 285 CA ARG A 21 -6.591 -8.107 11.075 1.00 0.00 C ATOM 286 C ARG A 21 -5.216 -7.960 10.430 1.00 0.00 C ATOM 287 O ARG A 21 -4.310 -7.356 11.005 1.00 0.00 O ATOM 288 CB ARG A 21 -6.894 -9.586 11.325 1.00 0.00 C ATOM 289 CG ARG A 21 -8.299 -9.840 11.847 1.00 0.00 C ATOM 290 CD ARG A 21 -8.568 -11.327 12.018 1.00 0.00 C ATOM 291 NE ARG A 21 -7.690 -11.931 13.016 1.00 0.00 N ATOM 292 CZ ARG A 21 -7.612 -13.240 13.230 1.00 0.00 C ATOM 293 NH1 ARG A 21 -8.355 -14.077 12.519 1.00 0.00 N ATOM 294 NH2 ARG A 21 -6.788 -13.714 14.156 1.00 0.00 N ATOM 0 H ARG A 21 -8.068 -8.164 9.589 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.584 -7.578 12.028 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.755 -10.139 10.396 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.173 -9.980 12.041 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.431 -9.333 12.803 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -9.027 -9.414 11.157 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.607 -11.476 12.312 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -8.432 -11.832 11.062 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.105 -11.314 13.580 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -8.989 -13.716 11.806 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -8.293 -15.081 12.685 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -6.214 -13.073 14.704 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.729 -14.719 14.320 1.00 0.00 H new ATOM 308 N LEU A 22 -5.068 -8.517 9.233 1.00 0.00 N ATOM 309 CA LEU A 22 -3.804 -8.448 8.508 1.00 0.00 C ATOM 310 C LEU A 22 -3.604 -7.068 7.890 1.00 0.00 C ATOM 311 O LEU A 22 -2.534 -6.473 8.010 1.00 0.00 O ATOM 312 CB LEU A 22 -3.760 -9.520 7.418 1.00 0.00 C ATOM 313 CG LEU A 22 -5.069 -9.769 6.668 1.00 0.00 C ATOM 314 CD1 LEU A 22 -4.792 -10.152 5.223 1.00 0.00 C ATOM 315 CD2 LEU A 22 -5.883 -10.852 7.362 1.00 0.00 C ATOM 0 H LEU A 22 -5.808 -9.021 8.744 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.996 -8.627 9.218 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.996 -9.241 6.692 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.440 -10.458 7.872 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.649 -8.846 6.673 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.735 -10.325 4.705 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.250 -9.345 4.730 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.191 -11.061 5.196 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.811 -11.016 6.815 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.309 -11.778 7.389 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.113 -10.538 8.380 1.00 0.00 H new ATOM 327 N GLN A 23 -4.643 -6.566 7.230 1.00 0.00 N ATOM 328 CA GLN A 23 -4.582 -5.255 6.594 1.00 0.00 C ATOM 329 C GLN A 23 -3.986 -4.218 7.540 1.00 0.00 C ATOM 330 O GLN A 23 -3.296 -3.295 7.109 1.00 0.00 O ATOM 331 CB GLN A 23 -5.977 -4.815 6.149 1.00 0.00 C ATOM 332 CG GLN A 23 -6.548 -5.654 5.016 1.00 0.00 C ATOM 333 CD GLN A 23 -7.586 -4.907 4.203 1.00 0.00 C ATOM 334 OE1 GLN A 23 -8.202 -3.955 4.684 1.00 0.00 O ATOM 335 NE2 GLN A 23 -7.787 -5.335 2.962 1.00 0.00 N ATOM 0 H GLN A 23 -5.536 -7.047 7.122 1.00 0.00 H new ATOM 0 HA GLN A 23 -3.938 -5.334 5.718 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.653 -4.863 7.002 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.936 -3.773 5.833 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.738 -5.971 4.360 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.997 -6.558 5.429 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.255 -6.128 2.603 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -8.474 -4.871 2.367 1.00 0.00 H new ATOM 344 N GLU A 24 -4.258 -4.378 8.832 1.00 0.00 N ATOM 345 CA GLU A 24 -3.749 -3.454 9.838 1.00 0.00 C ATOM 346 C GLU A 24 -2.350 -3.860 10.292 1.00 0.00 C ATOM 347 O GLU A 24 -1.916 -3.507 11.388 1.00 0.00 O ATOM 348 CB GLU A 24 -4.694 -3.405 11.041 1.00 0.00 C ATOM 349 CG GLU A 24 -4.648 -4.656 11.902 1.00 0.00 C ATOM 350 CD GLU A 24 -5.195 -4.425 13.297 1.00 0.00 C ATOM 351 OE1 GLU A 24 -5.038 -3.301 13.818 1.00 0.00 O ATOM 352 OE2 GLU A 24 -5.781 -5.368 13.868 1.00 0.00 O ATOM 0 H GLU A 24 -4.827 -5.138 9.205 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.692 -2.463 9.389 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.441 -2.541 11.656 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.714 -3.256 10.686 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.221 -5.447 11.418 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.618 -5.006 11.973 1.00 0.00 H new ATOM 359 N GLU A 25 -1.651 -4.604 9.441 1.00 0.00 N ATOM 360 CA GLU A 25 -0.302 -5.059 9.755 1.00 0.00 C ATOM 361 C GLU A 25 0.673 -4.680 8.644 1.00 0.00 C ATOM 362 O GLU A 25 1.889 -4.696 8.836 1.00 0.00 O ATOM 363 CB GLU A 25 -0.287 -6.574 9.966 1.00 0.00 C ATOM 364 CG GLU A 25 -1.116 -7.031 11.154 1.00 0.00 C ATOM 365 CD GLU A 25 -0.723 -8.412 11.644 1.00 0.00 C ATOM 366 OE1 GLU A 25 0.429 -8.576 12.096 1.00 0.00 O ATOM 367 OE2 GLU A 25 -1.569 -9.328 11.574 1.00 0.00 O ATOM 0 H GLU A 25 -1.996 -4.904 8.529 1.00 0.00 H new ATOM 0 HA GLU A 25 0.014 -4.568 10.675 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.659 -7.062 9.065 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.743 -6.903 10.104 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.003 -6.315 11.968 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.170 -7.034 10.877 1.00 0.00 H new ATOM 374 N LYS A 26 0.130 -4.339 7.480 1.00 0.00 N ATOM 375 CA LYS A 26 0.950 -3.955 6.336 1.00 0.00 C ATOM 376 C LYS A 26 0.978 -2.439 6.172 1.00 0.00 C ATOM 377 O LYS A 26 2.046 -1.836 6.058 1.00 0.00 O ATOM 378 CB LYS A 26 0.417 -4.607 5.059 1.00 0.00 C ATOM 379 CG LYS A 26 0.012 -6.060 5.240 1.00 0.00 C ATOM 380 CD LYS A 26 -1.474 -6.192 5.530 1.00 0.00 C ATOM 381 CE LYS A 26 -2.286 -6.278 4.247 1.00 0.00 C ATOM 382 NZ LYS A 26 -2.621 -4.929 3.712 1.00 0.00 N ATOM 0 H LYS A 26 -0.874 -4.321 7.304 1.00 0.00 H new ATOM 0 HA LYS A 26 1.967 -4.302 6.516 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.444 -4.040 4.704 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.181 -4.546 4.284 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.259 -6.623 4.340 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.584 -6.499 6.058 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.650 -7.082 6.134 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.809 -5.337 6.117 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.724 -6.837 3.498 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.205 -6.833 4.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.533 -4.970 3.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.685 -4.250 4.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.879 -4.624 3.050 1.00 0.00 H new ATOM 396 N LEU A 27 -0.201 -1.827 6.163 1.00 0.00 N ATOM 397 CA LEU A 27 -0.312 -0.380 6.014 1.00 0.00 C ATOM 398 C LEU A 27 0.669 0.338 6.936 1.00 0.00 C ATOM 399 O LEU A 27 1.392 -0.295 7.706 1.00 0.00 O ATOM 400 CB LEU A 27 -1.740 0.076 6.316 1.00 0.00 C ATOM 401 CG LEU A 27 -2.173 0.002 7.781 1.00 0.00 C ATOM 402 CD1 LEU A 27 -1.457 -1.136 8.492 1.00 0.00 C ATOM 403 CD2 LEU A 27 -1.906 1.325 8.484 1.00 0.00 C ATOM 0 H LEU A 27 -1.094 -2.311 6.257 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.067 -0.126 4.983 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.850 1.106 5.977 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.426 -0.530 5.724 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.245 -0.194 7.814 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.777 -1.173 9.533 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.699 -2.080 8.004 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.380 -0.971 8.449 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.220 1.254 9.525 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.841 1.551 8.441 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.466 2.119 7.990 1.00 0.00 H new ATOM 415 N CYS A 28 0.687 1.664 6.853 1.00 0.00 N ATOM 416 CA CYS A 28 1.577 2.470 7.680 1.00 0.00 C ATOM 417 C CYS A 28 1.593 1.961 9.119 1.00 0.00 C ATOM 418 O CYS A 28 0.708 1.212 9.534 1.00 0.00 O ATOM 419 CB CYS A 28 1.145 3.937 7.651 1.00 0.00 C ATOM 420 SG CYS A 28 2.369 5.087 8.358 1.00 0.00 S ATOM 0 H CYS A 28 0.095 2.203 6.221 1.00 0.00 H new ATOM 0 HA CYS A 28 2.585 2.387 7.273 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.945 4.225 6.619 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.208 4.040 8.198 1.00 0.00 H new ATOM 425 N LYS A 29 2.604 2.373 9.875 1.00 0.00 N ATOM 426 CA LYS A 29 2.736 1.961 11.268 1.00 0.00 C ATOM 427 C LYS A 29 2.698 3.169 12.198 1.00 0.00 C ATOM 428 O LYS A 29 2.132 3.106 13.290 1.00 0.00 O ATOM 429 CB LYS A 29 4.040 1.187 11.471 1.00 0.00 C ATOM 430 CG LYS A 29 5.286 2.017 11.211 1.00 0.00 C ATOM 431 CD LYS A 29 5.857 2.585 12.500 1.00 0.00 C ATOM 432 CE LYS A 29 6.429 1.490 13.386 1.00 0.00 C ATOM 433 NZ LYS A 29 7.890 1.303 13.164 1.00 0.00 N ATOM 0 H LYS A 29 3.345 2.992 9.547 1.00 0.00 H new ATOM 0 HA LYS A 29 1.895 1.312 11.511 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.073 0.808 12.492 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.046 0.321 10.809 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.039 1.401 10.719 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.045 2.832 10.528 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.637 3.309 12.266 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.076 3.121 13.040 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.250 1.738 14.432 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.909 0.553 13.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.242 0.548 13.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.060 1.041 12.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.390 2.189 13.378 1.00 0.00 H new ATOM 447 N ILE A 30 3.303 4.268 11.759 1.00 0.00 N ATOM 448 CA ILE A 30 3.336 5.490 12.552 1.00 0.00 C ATOM 449 C ILE A 30 1.929 6.032 12.785 1.00 0.00 C ATOM 450 O ILE A 30 1.417 5.999 13.904 1.00 0.00 O ATOM 451 CB ILE A 30 4.187 6.579 11.872 1.00 0.00 C ATOM 452 CG1 ILE A 30 5.676 6.267 12.033 1.00 0.00 C ATOM 453 CG2 ILE A 30 3.861 7.946 12.455 1.00 0.00 C ATOM 454 CD1 ILE A 30 6.285 5.591 10.825 1.00 0.00 C ATOM 0 H ILE A 30 3.777 4.337 10.858 1.00 0.00 H new ATOM 0 HA ILE A 30 3.787 5.233 13.510 1.00 0.00 H new ATOM 0 HB ILE A 30 3.951 6.593 10.808 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.214 7.194 12.230 1.00 0.00 H new ATOM 0 HG13 ILE A 30 5.813 5.627 12.905 1.00 0.00 H new ATOM 0 HG21 ILE A 30 4.470 8.705 11.965 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.806 8.168 12.294 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.073 7.946 13.524 1.00 0.00 H new ATOM 0 HD11 ILE A 30 7.342 5.400 11.009 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.772 4.647 10.639 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.180 6.238 9.954 1.00 0.00 H new ATOM 466 N CYS A 31 1.309 6.529 11.720 1.00 0.00 N ATOM 467 CA CYS A 31 -0.040 7.077 11.807 1.00 0.00 C ATOM 468 C CYS A 31 -1.082 5.963 11.792 1.00 0.00 C ATOM 469 O CYS A 31 -2.061 6.005 12.536 1.00 0.00 O ATOM 470 CB CYS A 31 -0.295 8.045 10.650 1.00 0.00 C ATOM 471 SG CYS A 31 -0.384 7.244 9.016 1.00 0.00 S ATOM 0 H CYS A 31 1.719 6.564 10.787 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.126 7.617 12.750 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.229 8.576 10.834 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.499 8.792 10.634 1.00 0.00 H new ATOM 476 N MET A 32 -0.863 4.967 10.939 1.00 0.00 N ATOM 477 CA MET A 32 -1.782 3.840 10.829 1.00 0.00 C ATOM 478 C MET A 32 -3.148 4.301 10.330 1.00 0.00 C ATOM 479 O MET A 32 -4.183 3.859 10.831 1.00 0.00 O ATOM 480 CB MET A 32 -1.929 3.139 12.180 1.00 0.00 C ATOM 481 CG MET A 32 -0.630 2.545 12.701 1.00 0.00 C ATOM 482 SD MET A 32 -0.897 1.099 13.744 1.00 0.00 S ATOM 483 CE MET A 32 -0.242 -0.199 12.698 1.00 0.00 C ATOM 0 H MET A 32 -0.058 4.918 10.315 1.00 0.00 H new ATOM 0 HA MET A 32 -1.369 3.136 10.107 1.00 0.00 H new ATOM 0 HB2 MET A 32 -2.312 3.852 12.910 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.671 2.346 12.090 1.00 0.00 H new ATOM 0 HG2 MET A 32 0.002 2.268 11.858 1.00 0.00 H new ATOM 0 HG3 MET A 32 -0.090 3.303 13.269 1.00 0.00 H new ATOM 0 HE1 MET A 32 -0.721 -1.145 12.950 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.440 0.041 11.653 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.834 -0.284 12.854 1.00 0.00 H new ATOM 493 N ASP A 33 -3.144 5.190 9.343 1.00 0.00 N ATOM 494 CA ASP A 33 -4.384 5.709 8.777 1.00 0.00 C ATOM 495 C ASP A 33 -4.583 5.204 7.351 1.00 0.00 C ATOM 496 O ASP A 33 -5.623 4.632 7.025 1.00 0.00 O ATOM 497 CB ASP A 33 -4.375 7.238 8.793 1.00 0.00 C ATOM 498 CG ASP A 33 -4.969 7.807 10.067 1.00 0.00 C ATOM 499 OD1 ASP A 33 -4.862 7.143 11.120 1.00 0.00 O ATOM 500 OD2 ASP A 33 -5.539 8.916 10.012 1.00 0.00 O ATOM 0 H ASP A 33 -2.296 5.566 8.918 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.212 5.352 9.389 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.351 7.594 8.683 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.936 7.611 7.936 1.00 0.00 H new ATOM 505 N ARG A 34 -3.581 5.421 6.507 1.00 0.00 N ATOM 506 CA ARG A 34 -3.647 4.990 5.115 1.00 0.00 C ATOM 507 C ARG A 34 -2.704 3.818 4.863 1.00 0.00 C ATOM 508 O ARG A 34 -2.086 3.296 5.790 1.00 0.00 O ATOM 509 CB ARG A 34 -3.296 6.151 4.182 1.00 0.00 C ATOM 510 CG ARG A 34 -1.941 6.776 4.471 1.00 0.00 C ATOM 511 CD ARG A 34 -1.651 7.936 3.531 1.00 0.00 C ATOM 512 NE ARG A 34 -1.366 7.481 2.173 1.00 0.00 N ATOM 513 CZ ARG A 34 -2.306 7.244 1.265 1.00 0.00 C ATOM 514 NH1 ARG A 34 -3.585 7.418 1.569 1.00 0.00 N ATOM 515 NH2 ARG A 34 -1.968 6.832 0.050 1.00 0.00 N ATOM 0 H ARG A 34 -2.713 5.893 6.762 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.667 4.664 4.910 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.310 5.795 3.152 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.066 6.918 4.265 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.913 7.127 5.503 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.162 6.021 4.370 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.506 8.612 3.515 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -0.801 8.505 3.909 1.00 0.00 H new ATOM 0 HE ARG A 34 -0.392 7.337 1.907 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.849 7.735 2.502 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.305 7.235 0.870 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.985 6.697 -0.188 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.691 6.650 -0.646 1.00 0.00 H new ATOM 529 N ASN A 35 -2.598 3.410 3.603 1.00 0.00 N ATOM 530 CA ASN A 35 -1.731 2.299 3.229 1.00 0.00 C ATOM 531 C ASN A 35 -0.340 2.799 2.848 1.00 0.00 C ATOM 532 O ASN A 35 -0.154 3.979 2.549 1.00 0.00 O ATOM 533 CB ASN A 35 -2.341 1.518 2.064 1.00 0.00 C ATOM 534 CG ASN A 35 -3.749 1.041 2.362 1.00 0.00 C ATOM 535 OD1 ASN A 35 -4.725 1.738 2.084 1.00 0.00 O ATOM 536 ND2 ASN A 35 -3.861 -0.153 2.932 1.00 0.00 N ATOM 0 H ASN A 35 -3.102 3.832 2.823 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.637 1.638 4.091 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.354 2.149 1.175 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.710 0.659 1.836 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.783 -0.526 3.157 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.025 -0.697 3.145 1.00 0.00 H new ATOM 543 N ILE A 36 0.632 1.893 2.861 1.00 0.00 N ATOM 544 CA ILE A 36 2.004 2.241 2.515 1.00 0.00 C ATOM 545 C ILE A 36 2.222 2.186 1.007 1.00 0.00 C ATOM 546 O ILE A 36 1.996 1.155 0.374 1.00 0.00 O ATOM 547 CB ILE A 36 3.013 1.303 3.203 1.00 0.00 C ATOM 548 CG1 ILE A 36 2.609 -0.158 2.995 1.00 0.00 C ATOM 549 CG2 ILE A 36 3.110 1.625 4.687 1.00 0.00 C ATOM 550 CD1 ILE A 36 3.784 -1.109 2.937 1.00 0.00 C ATOM 0 H ILE A 36 0.495 0.913 3.107 1.00 0.00 H new ATOM 0 HA ILE A 36 2.169 3.260 2.866 1.00 0.00 H new ATOM 0 HB ILE A 36 3.994 1.457 2.753 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.946 -0.462 3.805 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.040 -0.240 2.069 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.827 0.953 5.159 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.440 2.656 4.815 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.132 1.497 5.152 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.422 -2.126 2.788 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.436 -0.831 2.109 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.342 -1.056 3.872 1.00 0.00 H new ATOM 562 N ALA A 37 2.665 3.302 0.438 1.00 0.00 N ATOM 563 CA ALA A 37 2.918 3.380 -0.996 1.00 0.00 C ATOM 564 C ALA A 37 4.248 4.069 -1.282 1.00 0.00 C ATOM 565 O ALA A 37 4.473 4.571 -2.383 1.00 0.00 O ATOM 566 CB ALA A 37 1.781 4.113 -1.693 1.00 0.00 C ATOM 0 H ALA A 37 2.856 4.165 0.948 1.00 0.00 H new ATOM 0 HA ALA A 37 2.974 2.364 -1.386 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.983 4.164 -2.763 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.846 3.578 -1.525 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.698 5.123 -1.291 1.00 0.00 H new ATOM 572 N ILE A 38 5.125 4.089 -0.284 1.00 0.00 N ATOM 573 CA ILE A 38 6.433 4.715 -0.430 1.00 0.00 C ATOM 574 C ILE A 38 7.485 3.994 0.406 1.00 0.00 C ATOM 575 O ILE A 38 7.173 3.403 1.440 1.00 0.00 O ATOM 576 CB ILE A 38 6.396 6.199 -0.018 1.00 0.00 C ATOM 577 CG1 ILE A 38 5.437 6.978 -0.922 1.00 0.00 C ATOM 578 CG2 ILE A 38 7.792 6.800 -0.075 1.00 0.00 C ATOM 579 CD1 ILE A 38 6.003 7.268 -2.294 1.00 0.00 C ATOM 0 H ILE A 38 4.953 3.679 0.634 1.00 0.00 H new ATOM 0 HA ILE A 38 6.700 4.645 -1.485 1.00 0.00 H new ATOM 0 HB ILE A 38 6.035 6.267 1.008 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.512 6.411 -1.031 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.178 7.920 -0.438 1.00 0.00 H new ATOM 0 HG21 ILE A 38 7.749 7.849 0.219 1.00 0.00 H new ATOM 0 HG22 ILE A 38 8.449 6.259 0.606 1.00 0.00 H new ATOM 0 HG23 ILE A 38 8.180 6.723 -1.091 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.270 7.822 -2.880 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.912 7.861 -2.195 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.236 6.330 -2.797 1.00 0.00 H new ATOM 591 N VAL A 39 8.733 4.048 -0.048 1.00 0.00 N ATOM 592 CA VAL A 39 9.832 3.402 0.659 1.00 0.00 C ATOM 593 C VAL A 39 11.008 4.356 0.836 1.00 0.00 C ATOM 594 O VAL A 39 10.961 5.505 0.395 1.00 0.00 O ATOM 595 CB VAL A 39 10.315 2.143 -0.085 1.00 0.00 C ATOM 596 CG1 VAL A 39 9.131 1.317 -0.563 1.00 0.00 C ATOM 597 CG2 VAL A 39 11.214 2.525 -1.251 1.00 0.00 C ATOM 0 H VAL A 39 9.008 4.533 -0.902 1.00 0.00 H new ATOM 0 HA VAL A 39 9.451 3.113 1.639 1.00 0.00 H new ATOM 0 HB VAL A 39 10.896 1.534 0.608 1.00 0.00 H new ATOM 0 HG11 VAL A 39 9.492 0.432 -1.086 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.530 1.012 0.294 1.00 0.00 H new ATOM 0 HG13 VAL A 39 8.520 1.914 -1.240 1.00 0.00 H new ATOM 0 HG21 VAL A 39 11.546 1.623 -1.765 1.00 0.00 H new ATOM 0 HG22 VAL A 39 10.660 3.156 -1.946 1.00 0.00 H new ATOM 0 HG23 VAL A 39 12.081 3.070 -0.878 1.00 0.00 H new ATOM 607 N PHE A 40 12.062 3.874 1.485 1.00 0.00 N ATOM 608 CA PHE A 40 13.251 4.684 1.722 1.00 0.00 C ATOM 609 C PHE A 40 14.442 4.145 0.935 1.00 0.00 C ATOM 610 O PHE A 40 14.473 2.973 0.558 1.00 0.00 O ATOM 611 CB PHE A 40 13.584 4.716 3.215 1.00 0.00 C ATOM 612 CG PHE A 40 12.442 5.177 4.074 1.00 0.00 C ATOM 613 CD1 PHE A 40 11.648 6.242 3.680 1.00 0.00 C ATOM 614 CD2 PHE A 40 12.162 4.545 5.275 1.00 0.00 C ATOM 615 CE1 PHE A 40 10.597 6.669 4.469 1.00 0.00 C ATOM 616 CE2 PHE A 40 11.111 4.968 6.068 1.00 0.00 C ATOM 617 CZ PHE A 40 10.327 6.030 5.664 1.00 0.00 C ATOM 0 H PHE A 40 12.117 2.926 1.857 1.00 0.00 H new ATOM 0 HA PHE A 40 13.042 5.698 1.382 1.00 0.00 H new ATOM 0 HB2 PHE A 40 13.888 3.719 3.533 1.00 0.00 H new ATOM 0 HB3 PHE A 40 14.437 5.375 3.375 1.00 0.00 H new ATOM 0 HD1 PHE A 40 11.853 6.744 2.746 1.00 0.00 H new ATOM 0 HD2 PHE A 40 12.771 3.713 5.595 1.00 0.00 H new ATOM 0 HE1 PHE A 40 9.987 7.502 4.152 1.00 0.00 H new ATOM 0 HE2 PHE A 40 10.904 4.468 7.003 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.504 6.361 6.281 1.00 0.00 H new ATOM 627 N VAL A 41 15.422 5.009 0.690 1.00 0.00 N ATOM 628 CA VAL A 41 16.616 4.621 -0.052 1.00 0.00 C ATOM 629 C VAL A 41 17.880 5.105 0.650 1.00 0.00 C ATOM 630 O VAL A 41 17.944 6.220 1.170 1.00 0.00 O ATOM 631 CB VAL A 41 16.593 5.180 -1.487 1.00 0.00 C ATOM 632 CG1 VAL A 41 17.913 4.905 -2.189 1.00 0.00 C ATOM 633 CG2 VAL A 41 15.430 4.589 -2.269 1.00 0.00 C ATOM 0 H VAL A 41 15.413 5.982 0.995 1.00 0.00 H new ATOM 0 HA VAL A 41 16.621 3.532 -0.095 1.00 0.00 H new ATOM 0 HB VAL A 41 16.456 6.260 -1.436 1.00 0.00 H new ATOM 0 HG11 VAL A 41 17.877 5.307 -3.201 1.00 0.00 H new ATOM 0 HG12 VAL A 41 18.724 5.381 -1.638 1.00 0.00 H new ATOM 0 HG13 VAL A 41 18.085 3.830 -2.232 1.00 0.00 H new ATOM 0 HG21 VAL A 41 15.428 4.995 -3.281 1.00 0.00 H new ATOM 0 HG22 VAL A 41 15.534 3.505 -2.313 1.00 0.00 H new ATOM 0 HG23 VAL A 41 14.492 4.843 -1.775 1.00 0.00 H new ATOM 643 N PRO A 42 18.913 4.249 0.666 1.00 0.00 N ATOM 644 CA PRO A 42 18.849 2.920 0.052 1.00 0.00 C ATOM 645 C PRO A 42 17.925 1.974 0.811 1.00 0.00 C ATOM 646 O PRO A 42 17.041 1.349 0.225 1.00 0.00 O ATOM 647 CB PRO A 42 20.296 2.426 0.122 1.00 0.00 C ATOM 648 CG PRO A 42 20.893 3.168 1.268 1.00 0.00 C ATOM 649 CD PRO A 42 20.222 4.513 1.287 1.00 0.00 C ATOM 0 HA PRO A 42 18.446 2.958 -0.960 1.00 0.00 H new ATOM 0 HB2 PRO A 42 20.340 1.349 0.282 1.00 0.00 H new ATOM 0 HB3 PRO A 42 20.830 2.633 -0.805 1.00 0.00 H new ATOM 0 HG2 PRO A 42 20.728 2.637 2.205 1.00 0.00 H new ATOM 0 HG3 PRO A 42 21.971 3.272 1.146 1.00 0.00 H new ATOM 0 HD2 PRO A 42 20.116 4.895 2.302 1.00 0.00 H new ATOM 0 HD3 PRO A 42 20.791 5.254 0.726 1.00 0.00 H new ATOM 657 N CYS A 43 18.136 1.873 2.119 1.00 0.00 N ATOM 658 CA CYS A 43 17.323 1.003 2.960 1.00 0.00 C ATOM 659 C CYS A 43 15.845 1.126 2.602 1.00 0.00 C ATOM 660 O CYS A 43 15.221 2.160 2.841 1.00 0.00 O ATOM 661 CB CYS A 43 17.531 1.346 4.437 1.00 0.00 C ATOM 662 SG CYS A 43 16.716 2.887 4.964 1.00 0.00 S ATOM 0 H CYS A 43 18.864 2.383 2.620 1.00 0.00 H new ATOM 0 HA CYS A 43 17.637 -0.026 2.785 1.00 0.00 H new ATOM 0 HB2 CYS A 43 17.157 0.523 5.046 1.00 0.00 H new ATOM 0 HB3 CYS A 43 18.600 1.428 4.633 1.00 0.00 H new ATOM 667 N GLY A 44 15.290 0.064 2.026 1.00 0.00 N ATOM 668 CA GLY A 44 13.890 0.073 1.644 1.00 0.00 C ATOM 669 C GLY A 44 12.978 -0.367 2.772 1.00 0.00 C ATOM 670 O GLY A 44 12.841 -1.562 3.039 1.00 0.00 O ATOM 0 H GLY A 44 15.785 -0.803 1.817 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.610 1.077 1.325 1.00 0.00 H new ATOM 0 HA3 GLY A 44 13.746 -0.585 0.787 1.00 0.00 H new ATOM 674 N HIS A 45 12.353 0.599 3.437 1.00 0.00 N ATOM 675 CA HIS A 45 11.450 0.304 4.544 1.00 0.00 C ATOM 676 C HIS A 45 10.103 0.992 4.344 1.00 0.00 C ATOM 677 O HIS A 45 9.955 2.184 4.618 1.00 0.00 O ATOM 678 CB HIS A 45 12.071 0.750 5.869 1.00 0.00 C ATOM 679 CG HIS A 45 13.234 -0.090 6.297 1.00 0.00 C ATOM 680 ND1 HIS A 45 14.545 0.319 6.170 1.00 0.00 N ATOM 681 CD2 HIS A 45 13.279 -1.323 6.855 1.00 0.00 C ATOM 682 CE1 HIS A 45 15.345 -0.626 6.630 1.00 0.00 C ATOM 683 NE2 HIS A 45 14.602 -1.633 7.052 1.00 0.00 N ATOM 0 H HIS A 45 12.455 1.592 3.229 1.00 0.00 H new ATOM 0 HA HIS A 45 11.288 -0.774 4.571 1.00 0.00 H new ATOM 0 HB2 HIS A 45 12.396 1.787 5.778 1.00 0.00 H new ATOM 0 HB3 HIS A 45 11.307 0.722 6.646 1.00 0.00 H new ATOM 0 HD2 HIS A 45 12.432 -1.947 7.100 1.00 0.00 H new ATOM 0 HE1 HIS A 45 16.424 -0.583 6.657 1.00 0.00 H new ATOM 0 HE2 HIS A 45 14.954 -2.500 7.458 1.00 0.00 H new ATOM 691 N LEU A 46 9.123 0.234 3.863 1.00 0.00 N ATOM 692 CA LEU A 46 7.787 0.770 3.625 1.00 0.00 C ATOM 693 C LEU A 46 6.972 0.794 4.914 1.00 0.00 C ATOM 694 O LEU A 46 5.813 0.381 4.935 1.00 0.00 O ATOM 695 CB LEU A 46 7.064 -0.062 2.566 1.00 0.00 C ATOM 696 CG LEU A 46 7.175 -1.580 2.714 1.00 0.00 C ATOM 697 CD1 LEU A 46 8.447 -2.089 2.055 1.00 0.00 C ATOM 698 CD2 LEU A 46 7.137 -1.977 4.182 1.00 0.00 C ATOM 0 H LEU A 46 9.229 -0.753 3.630 1.00 0.00 H new ATOM 0 HA LEU A 46 7.892 1.793 3.265 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.008 0.208 2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.452 0.217 1.586 1.00 0.00 H new ATOM 0 HG LEU A 46 6.322 -2.038 2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.509 -3.171 2.171 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.433 -1.837 0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.312 -1.624 2.527 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.217 -3.061 4.268 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.969 -1.509 4.707 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.197 -1.646 4.624 1.00 0.00 H new ATOM 710 N VAL A 47 7.586 1.281 5.988 1.00 0.00 N ATOM 711 CA VAL A 47 6.916 1.362 7.280 1.00 0.00 C ATOM 712 C VAL A 47 6.147 2.671 7.420 1.00 0.00 C ATOM 713 O VAL A 47 5.687 3.022 8.507 1.00 0.00 O ATOM 714 CB VAL A 47 7.921 1.243 8.441 1.00 0.00 C ATOM 715 CG1 VAL A 47 8.385 -0.196 8.602 1.00 0.00 C ATOM 716 CG2 VAL A 47 9.106 2.172 8.218 1.00 0.00 C ATOM 0 H VAL A 47 8.546 1.625 5.988 1.00 0.00 H new ATOM 0 HA VAL A 47 6.217 0.527 7.327 1.00 0.00 H new ATOM 0 HB VAL A 47 7.421 1.543 9.362 1.00 0.00 H new ATOM 0 HG11 VAL A 47 9.094 -0.259 9.427 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.526 -0.834 8.812 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.867 -0.528 7.683 1.00 0.00 H new ATOM 0 HG21 VAL A 47 9.806 2.075 9.048 1.00 0.00 H new ATOM 0 HG22 VAL A 47 9.607 1.905 7.288 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.755 3.202 8.159 1.00 0.00 H new ATOM 726 N THR A 48 6.011 3.392 6.312 1.00 0.00 N ATOM 727 CA THR A 48 5.298 4.664 6.310 1.00 0.00 C ATOM 728 C THR A 48 4.503 4.847 5.022 1.00 0.00 C ATOM 729 O THR A 48 4.793 4.213 4.006 1.00 0.00 O ATOM 730 CB THR A 48 6.266 5.850 6.476 1.00 0.00 C ATOM 731 OG1 THR A 48 7.172 5.902 5.368 1.00 0.00 O ATOM 732 CG2 THR A 48 7.050 5.732 7.774 1.00 0.00 C ATOM 0 H THR A 48 6.385 3.117 5.404 1.00 0.00 H new ATOM 0 HA THR A 48 4.612 4.643 7.157 1.00 0.00 H new ATOM 0 HB THR A 48 5.679 6.768 6.508 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.094 5.889 5.699 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.727 6.581 7.869 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.359 5.723 8.617 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.627 4.807 7.768 1.00 0.00 H new ATOM 740 N CYS A 49 3.501 5.717 5.070 1.00 0.00 N ATOM 741 CA CYS A 49 2.664 5.984 3.906 1.00 0.00 C ATOM 742 C CYS A 49 3.139 7.233 3.169 1.00 0.00 C ATOM 743 O CYS A 49 4.112 7.872 3.570 1.00 0.00 O ATOM 744 CB CYS A 49 1.203 6.154 4.331 1.00 0.00 C ATOM 745 SG CYS A 49 0.935 7.471 5.560 1.00 0.00 S ATOM 0 H CYS A 49 3.248 6.250 5.902 1.00 0.00 H new ATOM 0 HA CYS A 49 2.743 5.133 3.230 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.601 6.368 3.448 1.00 0.00 H new ATOM 0 HB3 CYS A 49 0.843 5.210 4.741 1.00 0.00 H new ATOM 750 N LYS A 50 2.444 7.577 2.090 1.00 0.00 N ATOM 751 CA LYS A 50 2.793 8.749 1.297 1.00 0.00 C ATOM 752 C LYS A 50 2.983 9.972 2.188 1.00 0.00 C ATOM 753 O LYS A 50 3.936 10.733 2.017 1.00 0.00 O ATOM 754 CB LYS A 50 1.705 9.028 0.256 1.00 0.00 C ATOM 755 CG LYS A 50 1.877 10.355 -0.462 1.00 0.00 C ATOM 756 CD LYS A 50 1.032 10.420 -1.723 1.00 0.00 C ATOM 757 CE LYS A 50 0.965 11.835 -2.277 1.00 0.00 C ATOM 758 NZ LYS A 50 -0.059 11.962 -3.352 1.00 0.00 N ATOM 0 H LYS A 50 1.635 7.060 1.745 1.00 0.00 H new ATOM 0 HA LYS A 50 3.734 8.544 0.786 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.703 8.224 -0.480 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.732 9.013 0.747 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.599 11.170 0.206 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.927 10.498 -0.719 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.450 9.752 -2.477 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.025 10.065 -1.506 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.733 12.530 -1.470 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.941 12.118 -2.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.074 12.941 -3.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.176 11.317 -4.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.995 11.717 -2.971 1.00 0.00 H new ATOM 772 N GLN A 51 2.073 10.154 3.139 1.00 0.00 N ATOM 773 CA GLN A 51 2.143 11.284 4.058 1.00 0.00 C ATOM 774 C GLN A 51 3.362 11.172 4.967 1.00 0.00 C ATOM 775 O GLN A 51 4.300 11.964 4.866 1.00 0.00 O ATOM 776 CB GLN A 51 0.869 11.363 4.901 1.00 0.00 C ATOM 777 CG GLN A 51 -0.373 11.706 4.095 1.00 0.00 C ATOM 778 CD GLN A 51 -1.635 11.700 4.936 1.00 0.00 C ATOM 779 OE1 GLN A 51 -2.314 12.720 5.065 1.00 0.00 O ATOM 780 NE2 GLN A 51 -1.956 10.549 5.514 1.00 0.00 N ATOM 0 H GLN A 51 1.278 9.533 3.293 1.00 0.00 H new ATOM 0 HA GLN A 51 2.236 12.195 3.467 1.00 0.00 H new ATOM 0 HB2 GLN A 51 0.715 10.407 5.402 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.005 12.113 5.680 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.247 12.690 3.642 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.481 10.991 3.279 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.365 9.729 5.380 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.794 10.485 6.092 1.00 0.00 H new ATOM 789 N CYS A 52 3.343 10.184 5.856 1.00 0.00 N ATOM 790 CA CYS A 52 4.446 9.969 6.784 1.00 0.00 C ATOM 791 C CYS A 52 5.787 10.019 6.057 1.00 0.00 C ATOM 792 O CYS A 52 6.644 10.845 6.371 1.00 0.00 O ATOM 793 CB CYS A 52 4.288 8.621 7.492 1.00 0.00 C ATOM 794 SG CYS A 52 2.980 8.597 8.760 1.00 0.00 S ATOM 0 H CYS A 52 2.575 9.520 5.953 1.00 0.00 H new ATOM 0 HA CYS A 52 4.425 10.767 7.526 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.072 7.855 6.748 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.236 8.354 7.958 1.00 0.00 H new ATOM 799 N ALA A 53 5.960 9.131 5.084 1.00 0.00 N ATOM 800 CA ALA A 53 7.194 9.076 4.310 1.00 0.00 C ATOM 801 C ALA A 53 7.756 10.473 4.072 1.00 0.00 C ATOM 802 O ALA A 53 8.968 10.680 4.114 1.00 0.00 O ATOM 803 CB ALA A 53 6.955 8.368 2.985 1.00 0.00 C ATOM 0 H ALA A 53 5.261 8.440 4.813 1.00 0.00 H new ATOM 0 HA ALA A 53 7.928 8.511 4.884 1.00 0.00 H new ATOM 0 HB1 ALA A 53 7.885 8.334 2.418 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.607 7.352 3.173 1.00 0.00 H new ATOM 0 HB3 ALA A 53 6.201 8.910 2.414 1.00 0.00 H new ATOM 809 N GLU A 54 6.866 11.429 3.822 1.00 0.00 N ATOM 810 CA GLU A 54 7.275 12.807 3.576 1.00 0.00 C ATOM 811 C GLU A 54 7.616 13.515 4.884 1.00 0.00 C ATOM 812 O GLU A 54 8.637 14.195 4.986 1.00 0.00 O ATOM 813 CB GLU A 54 6.168 13.568 2.845 1.00 0.00 C ATOM 814 CG GLU A 54 6.012 13.166 1.388 1.00 0.00 C ATOM 815 CD GLU A 54 5.481 14.294 0.525 1.00 0.00 C ATOM 816 OE1 GLU A 54 4.360 14.772 0.795 1.00 0.00 O ATOM 817 OE2 GLU A 54 6.189 14.699 -0.421 1.00 0.00 O ATOM 0 H GLU A 54 5.858 11.275 3.785 1.00 0.00 H new ATOM 0 HA GLU A 54 8.167 12.788 2.950 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.223 13.402 3.362 1.00 0.00 H new ATOM 0 HB3 GLU A 54 6.377 14.636 2.898 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.977 12.840 1.000 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.337 12.313 1.321 1.00 0.00 H new ATOM 824 N ALA A 55 6.754 13.351 5.882 1.00 0.00 N ATOM 825 CA ALA A 55 6.964 13.972 7.183 1.00 0.00 C ATOM 826 C ALA A 55 8.299 13.548 7.785 1.00 0.00 C ATOM 827 O ALA A 55 9.084 14.385 8.231 1.00 0.00 O ATOM 828 CB ALA A 55 5.822 13.621 8.126 1.00 0.00 C ATOM 0 H ALA A 55 5.903 12.793 5.814 1.00 0.00 H new ATOM 0 HA ALA A 55 6.986 15.053 7.043 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.992 14.092 9.094 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.882 13.980 7.708 1.00 0.00 H new ATOM 0 HB3 ALA A 55 5.773 12.539 8.252 1.00 0.00 H new ATOM 834 N VAL A 56 8.550 12.243 7.796 1.00 0.00 N ATOM 835 CA VAL A 56 9.791 11.708 8.343 1.00 0.00 C ATOM 836 C VAL A 56 10.993 12.154 7.519 1.00 0.00 C ATOM 837 O VAL A 56 11.137 11.776 6.356 1.00 0.00 O ATOM 838 CB VAL A 56 9.763 10.169 8.397 1.00 0.00 C ATOM 839 CG1 VAL A 56 8.673 9.687 9.342 1.00 0.00 C ATOM 840 CG2 VAL A 56 9.566 9.591 7.004 1.00 0.00 C ATOM 0 H VAL A 56 7.910 11.537 7.432 1.00 0.00 H new ATOM 0 HA VAL A 56 9.884 12.099 9.356 1.00 0.00 H new ATOM 0 HB VAL A 56 10.722 9.819 8.779 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.669 8.597 9.367 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.863 10.072 10.344 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.705 10.046 8.994 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.549 8.503 7.061 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.622 9.948 6.592 1.00 0.00 H new ATOM 0 HG23 VAL A 56 10.386 9.908 6.359 1.00 0.00 H new ATOM 850 N ASP A 57 11.854 12.961 8.129 1.00 0.00 N ATOM 851 CA ASP A 57 13.046 13.459 7.452 1.00 0.00 C ATOM 852 C ASP A 57 13.975 12.311 7.070 1.00 0.00 C ATOM 853 O ASP A 57 14.632 12.348 6.030 1.00 0.00 O ATOM 854 CB ASP A 57 13.787 14.455 8.345 1.00 0.00 C ATOM 855 CG ASP A 57 13.158 15.834 8.321 1.00 0.00 C ATOM 856 OD1 ASP A 57 12.245 16.083 9.135 1.00 0.00 O ATOM 857 OD2 ASP A 57 13.578 16.664 7.487 1.00 0.00 O ATOM 0 H ASP A 57 11.749 13.284 9.091 1.00 0.00 H new ATOM 0 HA ASP A 57 12.730 13.965 6.540 1.00 0.00 H new ATOM 0 HB2 ASP A 57 13.798 14.082 9.369 1.00 0.00 H new ATOM 0 HB3 ASP A 57 14.825 14.527 8.021 1.00 0.00 H new ATOM 862 N LYS A 58 14.024 11.290 7.920 1.00 0.00 N ATOM 863 CA LYS A 58 14.872 10.129 7.673 1.00 0.00 C ATOM 864 C LYS A 58 14.243 8.865 8.250 1.00 0.00 C ATOM 865 O LYS A 58 13.508 8.919 9.236 1.00 0.00 O ATOM 866 CB LYS A 58 16.259 10.346 8.282 1.00 0.00 C ATOM 867 CG LYS A 58 16.229 10.649 9.771 1.00 0.00 C ATOM 868 CD LYS A 58 17.630 10.705 10.356 1.00 0.00 C ATOM 869 CE LYS A 58 18.258 12.077 10.169 1.00 0.00 C ATOM 870 NZ LYS A 58 19.704 12.079 10.523 1.00 0.00 N ATOM 0 H LYS A 58 13.487 11.243 8.786 1.00 0.00 H new ATOM 0 HA LYS A 58 14.972 10.005 6.595 1.00 0.00 H new ATOM 0 HB2 LYS A 58 16.864 9.455 8.113 1.00 0.00 H new ATOM 0 HB3 LYS A 58 16.750 11.168 7.762 1.00 0.00 H new ATOM 0 HG2 LYS A 58 15.725 11.601 9.940 1.00 0.00 H new ATOM 0 HG3 LYS A 58 15.648 9.885 10.287 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.592 10.463 11.418 1.00 0.00 H new ATOM 0 HD3 LYS A 58 18.255 9.950 9.879 1.00 0.00 H new ATOM 0 HE2 LYS A 58 18.138 12.393 9.133 1.00 0.00 H new ATOM 0 HE3 LYS A 58 17.732 12.804 10.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 20.095 13.032 10.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 19.818 11.802 11.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 20.211 11.404 9.916 1.00 0.00 H new ATOM 884 N CYS A 59 14.539 7.727 7.630 1.00 0.00 N ATOM 885 CA CYS A 59 14.004 6.448 8.082 1.00 0.00 C ATOM 886 C CYS A 59 13.932 6.397 9.605 1.00 0.00 C ATOM 887 O CYS A 59 14.947 6.434 10.302 1.00 0.00 O ATOM 888 CB CYS A 59 14.869 5.298 7.562 1.00 0.00 C ATOM 889 SG CYS A 59 14.133 3.649 7.799 1.00 0.00 S ATOM 0 H CYS A 59 15.147 7.665 6.813 1.00 0.00 H new ATOM 0 HA CYS A 59 12.995 6.343 7.684 1.00 0.00 H new ATOM 0 HB2 CYS A 59 15.057 5.451 6.499 1.00 0.00 H new ATOM 0 HB3 CYS A 59 15.836 5.328 8.065 1.00 0.00 H new ATOM 894 N PRO A 60 12.703 6.309 10.137 1.00 0.00 N ATOM 895 CA PRO A 60 12.468 6.249 11.582 1.00 0.00 C ATOM 896 C PRO A 60 12.933 4.931 12.191 1.00 0.00 C ATOM 897 O PRO A 60 12.655 4.642 13.355 1.00 0.00 O ATOM 898 CB PRO A 60 10.948 6.387 11.700 1.00 0.00 C ATOM 899 CG PRO A 60 10.421 5.890 10.399 1.00 0.00 C ATOM 900 CD PRO A 60 11.449 6.260 9.366 1.00 0.00 C ATOM 0 HA PRO A 60 13.022 7.020 12.118 1.00 0.00 H new ATOM 0 HB2 PRO A 60 10.561 5.801 12.534 1.00 0.00 H new ATOM 0 HB3 PRO A 60 10.657 7.423 11.876 1.00 0.00 H new ATOM 0 HG2 PRO A 60 10.267 4.811 10.427 1.00 0.00 H new ATOM 0 HG3 PRO A 60 9.457 6.344 10.170 1.00 0.00 H new ATOM 0 HD2 PRO A 60 11.498 5.522 8.565 1.00 0.00 H new ATOM 0 HD3 PRO A 60 11.225 7.220 8.901 1.00 0.00 H new ATOM 908 N MET A 61 13.641 4.134 11.397 1.00 0.00 N ATOM 909 CA MET A 61 14.145 2.847 11.860 1.00 0.00 C ATOM 910 C MET A 61 15.660 2.766 11.699 1.00 0.00 C ATOM 911 O MET A 61 16.365 2.298 12.593 1.00 0.00 O ATOM 912 CB MET A 61 13.477 1.706 11.089 1.00 0.00 C ATOM 913 CG MET A 61 11.961 1.706 11.198 1.00 0.00 C ATOM 914 SD MET A 61 11.219 0.194 10.554 1.00 0.00 S ATOM 915 CE MET A 61 10.612 -0.555 12.063 1.00 0.00 C ATOM 0 H MET A 61 13.878 4.357 10.430 1.00 0.00 H new ATOM 0 HA MET A 61 13.904 2.751 12.919 1.00 0.00 H new ATOM 0 HB2 MET A 61 13.758 1.775 10.038 1.00 0.00 H new ATOM 0 HB3 MET A 61 13.860 0.755 11.459 1.00 0.00 H new ATOM 0 HG2 MET A 61 11.676 1.830 12.243 1.00 0.00 H new ATOM 0 HG3 MET A 61 11.561 2.562 10.655 1.00 0.00 H new ATOM 0 HE1 MET A 61 9.747 -1.179 11.837 1.00 0.00 H new ATOM 0 HE2 MET A 61 11.397 -1.169 12.506 1.00 0.00 H new ATOM 0 HE3 MET A 61 10.322 0.226 12.766 1.00 0.00 H new ATOM 925 N CYS A 62 16.154 3.225 10.554 1.00 0.00 N ATOM 926 CA CYS A 62 17.584 3.204 10.275 1.00 0.00 C ATOM 927 C CYS A 62 18.174 4.610 10.350 1.00 0.00 C ATOM 928 O CYS A 62 19.386 4.793 10.235 1.00 0.00 O ATOM 929 CB CYS A 62 17.847 2.603 8.892 1.00 0.00 C ATOM 930 SG CYS A 62 16.850 1.123 8.524 1.00 0.00 S ATOM 0 H CYS A 62 15.584 3.616 9.804 1.00 0.00 H new ATOM 0 HA CYS A 62 18.067 2.585 11.031 1.00 0.00 H new ATOM 0 HB2 CYS A 62 17.647 3.361 8.134 1.00 0.00 H new ATOM 0 HB3 CYS A 62 18.903 2.345 8.814 1.00 0.00 H new ATOM 935 N TYR A 63 17.308 5.598 10.545 1.00 0.00 N ATOM 936 CA TYR A 63 17.742 6.987 10.634 1.00 0.00 C ATOM 937 C TYR A 63 18.566 7.380 9.412 1.00 0.00 C ATOM 938 O TYR A 63 19.489 8.190 9.503 1.00 0.00 O ATOM 939 CB TYR A 63 18.560 7.207 11.907 1.00 0.00 C ATOM 940 CG TYR A 63 17.922 6.623 13.146 1.00 0.00 C ATOM 941 CD1 TYR A 63 16.602 6.910 13.473 1.00 0.00 C ATOM 942 CD2 TYR A 63 18.637 5.783 13.991 1.00 0.00 C ATOM 943 CE1 TYR A 63 16.014 6.379 14.605 1.00 0.00 C ATOM 944 CE2 TYR A 63 18.057 5.246 15.124 1.00 0.00 C ATOM 945 CZ TYR A 63 16.746 5.547 15.427 1.00 0.00 C ATOM 946 OH TYR A 63 16.165 5.015 16.555 1.00 0.00 O ATOM 0 H TYR A 63 16.302 5.463 10.644 1.00 0.00 H new ATOM 0 HA TYR A 63 16.853 7.617 10.668 1.00 0.00 H new ATOM 0 HB2 TYR A 63 19.548 6.765 11.775 1.00 0.00 H new ATOM 0 HB3 TYR A 63 18.706 8.277 12.054 1.00 0.00 H new ATOM 0 HD1 TYR A 63 16.026 7.560 12.831 1.00 0.00 H new ATOM 0 HD2 TYR A 63 19.664 5.546 13.758 1.00 0.00 H new ATOM 0 HE1 TYR A 63 14.988 6.614 14.845 1.00 0.00 H new ATOM 0 HE2 TYR A 63 18.627 4.594 15.769 1.00 0.00 H new ATOM 0 HH TYR A 63 16.815 4.450 17.023 1.00 0.00 H new ATOM 956 N THR A 64 18.225 6.800 8.265 1.00 0.00 N ATOM 957 CA THR A 64 18.932 7.087 7.023 1.00 0.00 C ATOM 958 C THR A 64 18.193 8.135 6.200 1.00 0.00 C ATOM 959 O THR A 64 17.104 7.880 5.684 1.00 0.00 O ATOM 960 CB THR A 64 19.113 5.816 6.173 1.00 0.00 C ATOM 961 OG1 THR A 64 20.019 4.917 6.822 1.00 0.00 O ATOM 962 CG2 THR A 64 19.640 6.162 4.788 1.00 0.00 C ATOM 0 H THR A 64 17.463 6.128 8.171 1.00 0.00 H new ATOM 0 HA THR A 64 19.913 7.472 7.299 1.00 0.00 H new ATOM 0 HB THR A 64 18.140 5.336 6.066 1.00 0.00 H new ATOM 0 HG1 THR A 64 20.127 4.111 6.276 1.00 0.00 H new ATOM 0 HG21 THR A 64 19.760 5.248 4.206 1.00 0.00 H new ATOM 0 HG22 THR A 64 18.934 6.823 4.285 1.00 0.00 H new ATOM 0 HG23 THR A 64 20.604 6.663 4.880 1.00 0.00 H new ATOM 970 N VAL A 65 18.791 9.316 6.078 1.00 0.00 N ATOM 971 CA VAL A 65 18.189 10.403 5.315 1.00 0.00 C ATOM 972 C VAL A 65 17.586 9.891 4.012 1.00 0.00 C ATOM 973 O VAL A 65 18.285 9.320 3.175 1.00 0.00 O ATOM 974 CB VAL A 65 19.221 11.501 4.994 1.00 0.00 C ATOM 975 CG1 VAL A 65 18.579 12.614 4.179 1.00 0.00 C ATOM 976 CG2 VAL A 65 19.830 12.050 6.275 1.00 0.00 C ATOM 0 H VAL A 65 19.692 9.544 6.498 1.00 0.00 H new ATOM 0 HA VAL A 65 17.399 10.827 5.935 1.00 0.00 H new ATOM 0 HB VAL A 65 20.021 11.062 4.398 1.00 0.00 H new ATOM 0 HG11 VAL A 65 19.322 13.381 3.961 1.00 0.00 H new ATOM 0 HG12 VAL A 65 18.195 12.205 3.244 1.00 0.00 H new ATOM 0 HG13 VAL A 65 17.759 13.054 4.747 1.00 0.00 H new ATOM 0 HG21 VAL A 65 20.557 12.824 6.030 1.00 0.00 H new ATOM 0 HG22 VAL A 65 19.044 12.475 6.899 1.00 0.00 H new ATOM 0 HG23 VAL A 65 20.327 11.245 6.816 1.00 0.00 H new ATOM 986 N ILE A 66 16.284 10.100 3.848 1.00 0.00 N ATOM 987 CA ILE A 66 15.586 9.660 2.645 1.00 0.00 C ATOM 988 C ILE A 66 15.894 10.576 1.466 1.00 0.00 C ATOM 989 O ILE A 66 15.190 11.559 1.227 1.00 0.00 O ATOM 990 CB ILE A 66 14.062 9.617 2.863 1.00 0.00 C ATOM 991 CG1 ILE A 66 13.727 8.797 4.111 1.00 0.00 C ATOM 992 CG2 ILE A 66 13.369 9.036 1.640 1.00 0.00 C ATOM 993 CD1 ILE A 66 12.468 9.255 4.814 1.00 0.00 C ATOM 0 H ILE A 66 15.691 10.571 4.532 1.00 0.00 H new ATOM 0 HA ILE A 66 15.942 8.654 2.423 1.00 0.00 H new ATOM 0 HB ILE A 66 13.702 10.635 3.012 1.00 0.00 H new ATOM 0 HG12 ILE A 66 13.616 7.750 3.829 1.00 0.00 H new ATOM 0 HG13 ILE A 66 14.563 8.852 4.808 1.00 0.00 H new ATOM 0 HG21 ILE A 66 12.292 9.012 1.809 1.00 0.00 H new ATOM 0 HG22 ILE A 66 13.586 9.656 0.770 1.00 0.00 H new ATOM 0 HG23 ILE A 66 13.731 8.023 1.463 1.00 0.00 H new ATOM 0 HD11 ILE A 66 12.292 8.629 5.689 1.00 0.00 H new ATOM 0 HD12 ILE A 66 12.583 10.293 5.127 1.00 0.00 H new ATOM 0 HD13 ILE A 66 11.621 9.173 4.133 1.00 0.00 H new ATOM 1005 N THR A 67 16.950 10.247 0.728 1.00 0.00 N ATOM 1006 CA THR A 67 17.351 11.039 -0.428 1.00 0.00 C ATOM 1007 C THR A 67 16.475 10.731 -1.637 1.00 0.00 C ATOM 1008 O THR A 67 16.204 11.606 -2.460 1.00 0.00 O ATOM 1009 CB THR A 67 18.824 10.786 -0.799 1.00 0.00 C ATOM 1010 OG1 THR A 67 19.200 11.613 -1.906 1.00 0.00 O ATOM 1011 CG2 THR A 67 19.050 9.324 -1.152 1.00 0.00 C ATOM 0 H THR A 67 17.543 9.437 0.911 1.00 0.00 H new ATOM 0 HA THR A 67 17.228 12.086 -0.151 1.00 0.00 H new ATOM 0 HB THR A 67 19.441 11.034 0.065 1.00 0.00 H new ATOM 0 HG1 THR A 67 20.138 11.447 -2.134 1.00 0.00 H new ATOM 0 HG21 THR A 67 20.098 9.170 -1.411 1.00 0.00 H new ATOM 0 HG22 THR A 67 18.791 8.699 -0.297 1.00 0.00 H new ATOM 0 HG23 THR A 67 18.423 9.054 -2.002 1.00 0.00 H new ATOM 1019 N PHE A 68 16.033 9.482 -1.738 1.00 0.00 N ATOM 1020 CA PHE A 68 15.186 9.058 -2.848 1.00 0.00 C ATOM 1021 C PHE A 68 13.835 8.561 -2.342 1.00 0.00 C ATOM 1022 O PHE A 68 13.766 7.702 -1.462 1.00 0.00 O ATOM 1023 CB PHE A 68 15.879 7.957 -3.653 1.00 0.00 C ATOM 1024 CG PHE A 68 15.304 7.768 -5.028 1.00 0.00 C ATOM 1025 CD1 PHE A 68 15.732 8.554 -6.086 1.00 0.00 C ATOM 1026 CD2 PHE A 68 14.336 6.805 -5.263 1.00 0.00 C ATOM 1027 CE1 PHE A 68 15.205 8.383 -7.352 1.00 0.00 C ATOM 1028 CE2 PHE A 68 13.805 6.629 -6.527 1.00 0.00 C ATOM 1029 CZ PHE A 68 14.240 7.419 -7.573 1.00 0.00 C ATOM 0 H PHE A 68 16.247 8.746 -1.065 1.00 0.00 H new ATOM 0 HA PHE A 68 15.017 9.919 -3.494 1.00 0.00 H new ATOM 0 HB2 PHE A 68 16.939 8.194 -3.741 1.00 0.00 H new ATOM 0 HB3 PHE A 68 15.807 7.017 -3.105 1.00 0.00 H new ATOM 0 HD1 PHE A 68 16.486 9.309 -5.919 1.00 0.00 H new ATOM 0 HD2 PHE A 68 13.992 6.184 -4.449 1.00 0.00 H new ATOM 0 HE1 PHE A 68 15.547 9.002 -8.168 1.00 0.00 H new ATOM 0 HE2 PHE A 68 13.051 5.875 -6.696 1.00 0.00 H new ATOM 0 HZ PHE A 68 13.827 7.284 -8.562 1.00 0.00 H new ATOM 1039 N LYS A 69 12.762 9.108 -2.904 1.00 0.00 N ATOM 1040 CA LYS A 69 11.412 8.721 -2.512 1.00 0.00 C ATOM 1041 C LYS A 69 10.786 7.799 -3.554 1.00 0.00 C ATOM 1042 O LYS A 69 9.947 8.225 -4.347 1.00 0.00 O ATOM 1043 CB LYS A 69 10.538 9.964 -2.324 1.00 0.00 C ATOM 1044 CG LYS A 69 11.177 11.030 -1.451 1.00 0.00 C ATOM 1045 CD LYS A 69 10.901 10.782 0.023 1.00 0.00 C ATOM 1046 CE LYS A 69 9.552 11.347 0.440 1.00 0.00 C ATOM 1047 NZ LYS A 69 9.562 12.836 0.478 1.00 0.00 N ATOM 0 H LYS A 69 12.801 9.821 -3.633 1.00 0.00 H new ATOM 0 HA LYS A 69 11.475 8.182 -1.567 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.315 10.392 -3.301 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.587 9.666 -1.882 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.253 11.046 -1.623 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.795 12.011 -1.734 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.926 9.711 0.224 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.689 11.237 0.623 1.00 0.00 H new ATOM 0 HE2 LYS A 69 8.785 11.007 -0.256 1.00 0.00 H new ATOM 0 HE3 LYS A 69 9.285 10.960 1.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 9.523 13.158 1.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 10.433 13.189 0.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 8.737 13.202 -0.039 1.00 0.00 H new ATOM 1061 N GLN A 70 11.199 6.536 -3.544 1.00 0.00 N ATOM 1062 CA GLN A 70 10.678 5.555 -4.488 1.00 0.00 C ATOM 1063 C GLN A 70 9.177 5.359 -4.296 1.00 0.00 C ATOM 1064 O GLN A 70 8.651 5.547 -3.199 1.00 0.00 O ATOM 1065 CB GLN A 70 11.404 4.219 -4.321 1.00 0.00 C ATOM 1066 CG GLN A 70 10.872 3.120 -5.227 1.00 0.00 C ATOM 1067 CD GLN A 70 10.824 3.537 -6.684 1.00 0.00 C ATOM 1068 OE1 GLN A 70 11.777 4.113 -7.208 1.00 0.00 O ATOM 1069 NE2 GLN A 70 9.710 3.247 -7.346 1.00 0.00 N ATOM 0 H GLN A 70 11.893 6.168 -2.893 1.00 0.00 H new ATOM 0 HA GLN A 70 10.851 5.931 -5.496 1.00 0.00 H new ATOM 0 HB2 GLN A 70 12.465 4.364 -4.524 1.00 0.00 H new ATOM 0 HB3 GLN A 70 11.319 3.896 -3.283 1.00 0.00 H new ATOM 0 HG2 GLN A 70 11.501 2.235 -5.127 1.00 0.00 H new ATOM 0 HG3 GLN A 70 9.871 2.838 -4.901 1.00 0.00 H new ATOM 0 HE21 GLN A 70 8.945 2.768 -6.871 1.00 0.00 H new ATOM 0 HE22 GLN A 70 9.620 3.503 -8.329 1.00 0.00 H new ATOM 1078 N LYS A 71 8.493 4.981 -5.371 1.00 0.00 N ATOM 1079 CA LYS A 71 7.053 4.759 -5.322 1.00 0.00 C ATOM 1080 C LYS A 71 6.724 3.281 -5.510 1.00 0.00 C ATOM 1081 O LYS A 71 7.118 2.670 -6.503 1.00 0.00 O ATOM 1082 CB LYS A 71 6.351 5.589 -6.398 1.00 0.00 C ATOM 1083 CG LYS A 71 6.159 7.046 -6.014 1.00 0.00 C ATOM 1084 CD LYS A 71 5.036 7.690 -6.810 1.00 0.00 C ATOM 1085 CE LYS A 71 3.675 7.378 -6.205 1.00 0.00 C ATOM 1086 NZ LYS A 71 2.593 8.189 -6.828 1.00 0.00 N ATOM 0 H LYS A 71 8.913 4.822 -6.287 1.00 0.00 H new ATOM 0 HA LYS A 71 6.696 5.071 -4.341 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.931 5.538 -7.320 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.378 5.146 -6.609 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.938 7.116 -4.949 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.086 7.593 -6.184 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.183 8.770 -6.841 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.068 7.334 -7.840 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.455 6.318 -6.334 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.701 7.570 -5.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.682 7.948 -6.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.790 9.200 -6.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.551 7.987 -7.847 1.00 0.00 H new ATOM 1100 N ILE A 72 5.999 2.714 -4.551 1.00 0.00 N ATOM 1101 CA ILE A 72 5.616 1.309 -4.613 1.00 0.00 C ATOM 1102 C ILE A 72 4.108 1.158 -4.780 1.00 0.00 C ATOM 1103 O ILE A 72 3.341 2.055 -4.429 1.00 0.00 O ATOM 1104 CB ILE A 72 6.061 0.548 -3.350 1.00 0.00 C ATOM 1105 CG1 ILE A 72 5.425 1.168 -2.104 1.00 0.00 C ATOM 1106 CG2 ILE A 72 7.578 0.553 -3.235 1.00 0.00 C ATOM 1107 CD1 ILE A 72 5.608 0.335 -0.855 1.00 0.00 C ATOM 0 H ILE A 72 5.665 3.206 -3.722 1.00 0.00 H new ATOM 0 HA ILE A 72 6.120 0.882 -5.480 1.00 0.00 H new ATOM 0 HB ILE A 72 5.726 -0.486 -3.430 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.856 2.155 -1.939 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.359 1.311 -2.283 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.877 0.011 -2.337 1.00 0.00 H new ATOM 0 HG22 ILE A 72 8.011 0.070 -4.111 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.935 1.581 -3.174 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.132 0.835 -0.011 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.152 -0.644 -1.001 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.672 0.213 -0.652 1.00 0.00 H new ATOM 1119 N PHE A 73 3.689 0.017 -5.316 1.00 0.00 N ATOM 1120 CA PHE A 73 2.272 -0.253 -5.528 1.00 0.00 C ATOM 1121 C PHE A 73 1.913 -1.666 -5.075 1.00 0.00 C ATOM 1122 O PHE A 73 1.071 -2.328 -5.681 1.00 0.00 O ATOM 1123 CB PHE A 73 1.912 -0.072 -7.004 1.00 0.00 C ATOM 1124 CG PHE A 73 2.370 1.239 -7.576 1.00 0.00 C ATOM 1125 CD1 PHE A 73 1.957 2.437 -7.015 1.00 0.00 C ATOM 1126 CD2 PHE A 73 3.214 1.273 -8.674 1.00 0.00 C ATOM 1127 CE1 PHE A 73 2.376 3.644 -7.541 1.00 0.00 C ATOM 1128 CE2 PHE A 73 3.637 2.478 -9.204 1.00 0.00 C ATOM 1129 CZ PHE A 73 3.218 3.665 -8.635 1.00 0.00 C ATOM 0 H PHE A 73 4.311 -0.736 -5.612 1.00 0.00 H new ATOM 0 HA PHE A 73 1.700 0.457 -4.931 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.354 -0.885 -7.580 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.831 -0.151 -7.119 1.00 0.00 H new ATOM 0 HD1 PHE A 73 1.301 2.427 -6.157 1.00 0.00 H new ATOM 0 HD2 PHE A 73 3.545 0.348 -9.121 1.00 0.00 H new ATOM 0 HE1 PHE A 73 2.045 4.571 -7.096 1.00 0.00 H new ATOM 0 HE2 PHE A 73 4.294 2.491 -10.061 1.00 0.00 H new ATOM 0 HZ PHE A 73 3.548 4.608 -9.045 1.00 0.00 H new ATOM 1139 N MET A 74 2.560 -2.120 -4.006 1.00 0.00 N ATOM 1140 CA MET A 74 2.309 -3.453 -3.472 1.00 0.00 C ATOM 1141 C MET A 74 0.881 -3.570 -2.949 1.00 0.00 C ATOM 1142 O MET A 74 0.240 -4.611 -3.093 1.00 0.00 O ATOM 1143 CB MET A 74 3.302 -3.772 -2.352 1.00 0.00 C ATOM 1144 CG MET A 74 3.349 -2.714 -1.262 1.00 0.00 C ATOM 1145 SD MET A 74 4.337 -3.222 0.158 1.00 0.00 S ATOM 1146 CE MET A 74 5.959 -3.356 -0.590 1.00 0.00 C ATOM 0 H MET A 74 3.261 -1.585 -3.494 1.00 0.00 H new ATOM 0 HA MET A 74 2.441 -4.172 -4.281 1.00 0.00 H new ATOM 0 HB2 MET A 74 3.038 -4.731 -1.905 1.00 0.00 H new ATOM 0 HB3 MET A 74 4.298 -3.884 -2.781 1.00 0.00 H new ATOM 0 HG2 MET A 74 3.759 -1.792 -1.674 1.00 0.00 H new ATOM 0 HG3 MET A 74 2.334 -2.492 -0.933 1.00 0.00 H new ATOM 0 HE1 MET A 74 6.715 -3.014 0.117 1.00 0.00 H new ATOM 0 HE2 MET A 74 6.153 -4.396 -0.854 1.00 0.00 H new ATOM 0 HE3 MET A 74 5.997 -2.740 -1.489 1.00 0.00 H new ATOM 1156 N SER A 75 0.388 -2.495 -2.341 1.00 0.00 N ATOM 1157 CA SER A 75 -0.963 -2.479 -1.793 1.00 0.00 C ATOM 1158 C SER A 75 -1.979 -2.923 -2.840 1.00 0.00 C ATOM 1159 O SER A 75 -2.567 -3.993 -2.694 1.00 0.00 O ATOM 1160 CB SER A 75 -1.314 -1.078 -1.287 1.00 0.00 C ATOM 1161 OG SER A 75 -1.498 -0.178 -2.365 1.00 0.00 O ATOM 0 H SER A 75 0.904 -1.624 -2.216 1.00 0.00 H new ATOM 0 HA SER A 75 -0.998 -3.179 -0.958 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.223 -1.122 -0.687 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.519 -0.713 -0.636 1.00 0.00 H new ATOM 0 HG SER A 75 -1.723 0.709 -2.015 1.00 0.00 H new TER 1167 SER A 75 HETATM 1168 ZN ZN A 201 1.387 7.168 7.696 1.00 0.00 ZN HETATM 1169 ZN ZN A 401 15.433 2.033 6.806 1.00 0.00 ZN