USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 659 hydrogens (30 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 39 HIS HE2 : A 39 HIS NE2 : A 201 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 201 HEMFE :(H bumps) USER MOD Set 1.1: A 57 ASN : amide:sc= -2.25! C(o=-2.4!,f=-5.4!) USER MOD Set 1.2: A 61 HIS : no HE2:sc= 0.774 K(o=-2.4,f=-7.4!) USER MOD Set 1.3: A 201 HEM CMC :methyl 150:sc= -0.626 (180deg=-0.15) USER MOD Set 1.4: A 201 HEM CMD :methyl -30:sc= -0.312 (180deg=-0.822) USER MOD Set 2.1: A 13 GLN : amide:sc= -0.367 K(o=0.8,f=-12!) USER MOD Set 2.2: A 14 LYS NZ :NH3+ 174:sc= 1.17 (180deg=0.933) USER MOD Set 3.1: A 5 LYS NZ :NH3+ 145:sc= 1.24 (180deg=0) USER MOD Set 3.2: A 7 TYR OH : rot 180:sc= 1.01 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0614 USER MOD Single : A 15 HIS : no HD1:sc=-0.00303 K(o=-0.003,f=-1.6) USER MOD Single : A 16 ASN : amide:sc= 1.2 K(o=1.2,f=-0.33) USER MOD Single : A 17 ASN : amide:sc= -1.66 K(o=-1.7,f=-7.9!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -162:sc= 0.857 (180deg=0.623) USER MOD Single : A 20 SER OG : rot -164:sc= 0.833 USER MOD Single : A 21 THR OG1 : rot -140:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.37 X(o=-0.37,f=-0.54) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 170:sc= 0.979 (180deg=0.775) USER MOD Single : A 30 TYR OH : rot 30:sc= 1.18 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.138 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 1.2 (180deg=1.2) USER MOD Single : A 49 GLN : amide:sc= -3.18 K(o=-3.2,f=-2.6!) USER MOD Single : A 55 THR OG1 : rot 89:sc= 2.09 USER MOD Single : A 64 SER OG : rot 136:sc= 1.15 USER MOD Single : A 65 THR OG1 : rot 67:sc= 0.652 USER MOD Single : A 71 SER OG : rot -52:sc= 1.26 USER MOD Single : A 72 LYS NZ :NH3+ -132:sc= 0.808 (180deg=-3.82!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -1.88 K(o=-1.9,f=-1.2) USER MOD Single : A 201 HEM CMA :methyl 150:sc= -0.227 (180deg=-0.227) USER MOD Single : A 201 HEM CMB :methyl -30:sc= -0.406 (180deg=-3.08!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 -4.593 20.533 4.594 1.00 10.00 N ATOM 2 CA ALA A 3 -5.635 19.897 3.769 1.00 10.00 C ATOM 3 C ALA A 3 -5.264 18.430 3.583 1.00 10.00 C ATOM 4 O ALA A 3 -4.377 17.957 4.291 1.00 10.00 O ATOM 5 CB ALA A 3 -7.016 20.035 4.418 1.00 10.00 C ATOM 0 HA ALA A 3 -5.690 20.393 2.800 1.00 10.00 H new ATOM 0 HB1 ALA A 3 -7.764 19.556 3.786 1.00 10.00 H new ATOM 0 HB2 ALA A 3 -7.007 19.556 5.397 1.00 10.00 H new ATOM 0 HB3 ALA A 3 -7.260 21.091 4.533 1.00 10.00 H new ATOM 13 N VAL A 4 -5.921 17.746 2.650 1.00 10.00 N ATOM 14 CA VAL A 4 -5.673 16.370 2.242 1.00 10.00 C ATOM 15 C VAL A 4 -6.037 16.302 0.755 1.00 10.00 C ATOM 16 O VAL A 4 -6.317 17.351 0.172 1.00 10.00 O ATOM 17 CB VAL A 4 -6.503 15.388 3.088 1.00 10.00 C ATOM 18 CG1 VAL A 4 -5.915 15.158 4.481 1.00 10.00 C ATOM 19 CG2 VAL A 4 -7.982 15.784 3.184 1.00 10.00 C ATOM 0 H VAL A 4 -6.689 18.167 2.127 1.00 10.00 H new ATOM 0 HA VAL A 4 -4.633 16.082 2.396 1.00 10.00 H new ATOM 0 HB VAL A 4 -6.452 14.441 2.550 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -6.544 14.457 5.030 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -4.909 14.748 4.388 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -5.872 16.105 5.019 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -8.515 15.054 3.793 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -8.066 16.769 3.643 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -8.417 15.811 2.185 1.00 10.00 H new ATOM 29 N LYS A 5 -6.048 15.113 0.144 1.00 10.00 N ATOM 30 CA LYS A 5 -6.407 14.957 -1.260 1.00 10.00 C ATOM 31 C LYS A 5 -7.655 14.092 -1.334 1.00 10.00 C ATOM 32 O LYS A 5 -8.634 14.452 -1.984 1.00 10.00 O ATOM 33 CB LYS A 5 -5.228 14.350 -2.031 1.00 10.00 C ATOM 34 CG LYS A 5 -5.485 14.409 -3.542 1.00 10.00 C ATOM 35 CD LYS A 5 -4.265 13.884 -4.306 1.00 10.00 C ATOM 36 CE LYS A 5 -4.480 14.041 -5.820 1.00 10.00 C ATOM 37 NZ LYS A 5 -3.448 13.327 -6.600 1.00 10.00 N ATOM 0 H LYS A 5 -5.809 14.238 0.611 1.00 10.00 H new ATOM 0 HA LYS A 5 -6.625 15.920 -1.722 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -4.312 14.890 -1.791 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -5.078 13.316 -1.722 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -6.364 13.815 -3.792 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -5.698 15.435 -3.842 1.00 10.00 H new ATOM 0 HD2 LYS A 5 -3.372 14.429 -3.999 1.00 10.00 H new ATOM 0 HD3 LYS A 5 -4.097 12.835 -4.062 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -5.466 13.661 -6.088 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -4.465 15.099 -6.081 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 -3.873 12.942 -7.468 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 -2.685 13.987 -6.852 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 -3.059 12.549 -6.030 1.00 10.00 H new ATOM 51 N TYR A 6 -7.591 12.957 -0.643 1.00 10.00 N ATOM 52 CA TYR A 6 -8.516 11.862 -0.715 1.00 10.00 C ATOM 53 C TYR A 6 -8.614 11.271 -2.114 1.00 10.00 C ATOM 54 O TYR A 6 -8.287 11.868 -3.138 1.00 10.00 O ATOM 55 CB TYR A 6 -9.884 12.150 -0.088 1.00 10.00 C ATOM 56 CG TYR A 6 -9.959 12.280 1.423 1.00 10.00 C ATOM 57 CD1 TYR A 6 -8.948 12.877 2.187 1.00 10.00 C ATOM 58 CD2 TYR A 6 -10.905 11.493 2.078 1.00 10.00 C ATOM 59 CE1 TYR A 6 -8.795 12.522 3.541 1.00 10.00 C ATOM 60 CE2 TYR A 6 -10.643 10.973 3.348 1.00 10.00 C ATOM 61 CZ TYR A 6 -9.611 11.531 4.113 1.00 10.00 C ATOM 62 OH TYR A 6 -9.324 11.026 5.345 1.00 10.00 O ATOM 0 H TYR A 6 -6.838 12.780 0.021 1.00 10.00 H new ATOM 0 HA TYR A 6 -8.085 11.087 -0.081 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -10.263 13.075 -0.523 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -10.565 11.354 -0.389 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -8.289 13.606 1.740 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -11.850 11.283 1.599 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -8.046 13.014 4.144 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -11.228 10.152 3.735 1.00 10.00 H new ATOM 0 HH TYR A 6 -9.993 10.351 5.586 1.00 10.00 H new ATOM 72 N TYR A 7 -8.988 10.005 -2.079 1.00 10.00 N ATOM 73 CA TYR A 7 -8.847 9.037 -3.120 1.00 10.00 C ATOM 74 C TYR A 7 -9.945 7.998 -2.918 1.00 10.00 C ATOM 75 O TYR A 7 -10.234 7.551 -1.809 1.00 10.00 O ATOM 76 CB TYR A 7 -7.441 8.448 -2.961 1.00 10.00 C ATOM 77 CG TYR A 7 -6.353 8.838 -3.954 1.00 10.00 C ATOM 78 CD1 TYR A 7 -6.528 9.880 -4.891 1.00 10.00 C ATOM 79 CD2 TYR A 7 -5.048 8.400 -3.671 1.00 10.00 C ATOM 80 CE1 TYR A 7 -5.418 10.548 -5.428 1.00 10.00 C ATOM 81 CE2 TYR A 7 -3.938 9.085 -4.190 1.00 10.00 C ATOM 82 CZ TYR A 7 -4.121 10.159 -5.066 1.00 10.00 C ATOM 83 OH TYR A 7 -3.050 10.911 -5.460 1.00 10.00 O ATOM 0 H TYR A 7 -9.432 9.609 -1.251 1.00 10.00 H new ATOM 0 HA TYR A 7 -8.950 9.442 -4.127 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -7.086 8.712 -1.965 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -7.535 7.362 -2.988 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -7.524 10.165 -5.196 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -4.898 7.530 -3.049 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -5.563 11.363 -6.121 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -2.940 8.781 -3.912 1.00 10.00 H new ATOM 0 HH TYR A 7 -2.224 10.504 -5.125 1.00 10.00 H new ATOM 93 N THR A 8 -10.605 7.673 -4.016 1.00 10.00 N ATOM 94 CA THR A 8 -11.823 6.891 -4.044 1.00 10.00 C ATOM 95 C THR A 8 -11.451 5.449 -4.334 1.00 10.00 C ATOM 96 O THR A 8 -10.604 5.231 -5.203 1.00 10.00 O ATOM 97 CB THR A 8 -12.681 7.449 -5.183 1.00 10.00 C ATOM 98 OG1 THR A 8 -11.865 7.602 -6.329 1.00 10.00 O ATOM 99 CG2 THR A 8 -13.218 8.835 -4.832 1.00 10.00 C ATOM 0 H THR A 8 -10.294 7.958 -4.945 1.00 10.00 H new ATOM 0 HA THR A 8 -12.366 6.938 -3.100 1.00 10.00 H new ATOM 0 HB THR A 8 -13.509 6.762 -5.356 1.00 10.00 H new ATOM 0 HG1 THR A 8 -12.402 7.957 -7.068 1.00 10.00 H new ATOM 0 HG21 THR A 8 -13.824 9.210 -5.657 1.00 10.00 H new ATOM 0 HG22 THR A 8 -13.829 8.771 -3.932 1.00 10.00 H new ATOM 0 HG23 THR A 8 -12.384 9.515 -4.657 1.00 10.00 H new ATOM 107 N LEU A 9 -12.096 4.478 -3.685 1.00 10.00 N ATOM 108 CA LEU A 9 -11.918 3.067 -4.009 1.00 10.00 C ATOM 109 C LEU A 9 -11.916 2.828 -5.517 1.00 10.00 C ATOM 110 O LEU A 9 -11.038 2.125 -6.000 1.00 10.00 O ATOM 111 CB LEU A 9 -12.926 2.239 -3.218 1.00 10.00 C ATOM 112 CG LEU A 9 -13.176 0.790 -3.671 1.00 10.00 C ATOM 113 CD1 LEU A 9 -13.672 -0.022 -2.467 1.00 10.00 C ATOM 114 CD2 LEU A 9 -14.235 0.684 -4.777 1.00 10.00 C ATOM 0 H LEU A 9 -12.753 4.649 -2.924 1.00 10.00 H new ATOM 0 HA LEU A 9 -10.930 2.728 -3.697 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -12.597 2.213 -2.179 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -13.880 2.765 -3.237 1.00 10.00 H new ATOM 0 HG LEU A 9 -12.235 0.410 -4.068 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -13.854 -1.052 -2.773 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -12.917 -0.005 -1.681 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -14.598 0.413 -2.091 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -14.368 -0.362 -5.055 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -15.181 1.086 -4.415 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -13.909 1.252 -5.648 1.00 10.00 H new ATOM 126 N GLU A 10 -12.818 3.488 -6.254 1.00 10.00 N ATOM 127 CA GLU A 10 -12.809 3.563 -7.714 1.00 10.00 C ATOM 128 C GLU A 10 -11.372 3.610 -8.258 1.00 10.00 C ATOM 129 O GLU A 10 -10.919 2.678 -8.921 1.00 10.00 O ATOM 130 CB GLU A 10 -13.618 4.804 -8.133 1.00 10.00 C ATOM 131 CG GLU A 10 -13.783 4.975 -9.649 1.00 10.00 C ATOM 132 CD GLU A 10 -14.647 3.888 -10.268 1.00 10.00 C ATOM 133 OE1 GLU A 10 -15.869 3.915 -10.017 1.00 10.00 O ATOM 134 OE2 GLU A 10 -14.062 3.034 -10.971 1.00 10.00 O ATOM 0 H GLU A 10 -13.596 3.998 -5.835 1.00 10.00 H new ATOM 0 HA GLU A 10 -13.268 2.670 -8.138 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -14.606 4.749 -7.677 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -13.131 5.692 -7.731 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -14.227 5.949 -9.855 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -12.801 4.966 -10.121 1.00 10.00 H new ATOM 141 N GLU A 11 -10.649 4.685 -7.934 1.00 10.00 N ATOM 142 CA GLU A 11 -9.256 4.893 -8.311 1.00 10.00 C ATOM 143 C GLU A 11 -8.394 3.797 -7.711 1.00 10.00 C ATOM 144 O GLU A 11 -7.540 3.208 -8.373 1.00 10.00 O ATOM 145 CB GLU A 11 -8.739 6.224 -7.728 1.00 10.00 C ATOM 146 CG GLU A 11 -9.363 7.481 -8.341 1.00 10.00 C ATOM 147 CD GLU A 11 -8.632 7.884 -9.614 1.00 10.00 C ATOM 148 OE1 GLU A 11 -8.931 7.272 -10.662 1.00 10.00 O ATOM 149 OE2 GLU A 11 -7.766 8.779 -9.505 1.00 10.00 O ATOM 0 H GLU A 11 -11.032 5.455 -7.386 1.00 10.00 H new ATOM 0 HA GLU A 11 -9.201 4.895 -9.400 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -8.925 6.230 -6.654 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -7.659 6.269 -7.865 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -10.415 7.299 -8.563 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -9.326 8.299 -7.621 1.00 10.00 H new ATOM 156 N ILE A 12 -8.560 3.586 -6.408 1.00 10.00 N ATOM 157 CA ILE A 12 -7.593 2.812 -5.667 1.00 10.00 C ATOM 158 C ILE A 12 -7.514 1.393 -6.232 1.00 10.00 C ATOM 159 O ILE A 12 -6.413 0.907 -6.474 1.00 10.00 O ATOM 160 CB ILE A 12 -7.863 2.867 -4.150 1.00 10.00 C ATOM 161 CG1 ILE A 12 -7.806 4.308 -3.598 1.00 10.00 C ATOM 162 CG2 ILE A 12 -6.840 1.999 -3.411 1.00 10.00 C ATOM 163 CD1 ILE A 12 -8.587 4.460 -2.291 1.00 10.00 C ATOM 0 H ILE A 12 -9.344 3.937 -5.859 1.00 10.00 H new ATOM 0 HA ILE A 12 -6.605 3.255 -5.793 1.00 10.00 H new ATOM 0 HB ILE A 12 -8.872 2.488 -3.985 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.766 4.591 -3.432 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -8.209 4.996 -4.342 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -7.034 2.041 -2.339 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -6.922 0.968 -3.755 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -5.835 2.370 -3.612 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -8.517 5.491 -1.943 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.633 4.205 -2.460 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.168 3.793 -1.537 1.00 10.00 H new ATOM 175 N GLN A 13 -8.667 0.775 -6.522 1.00 10.00 N ATOM 176 CA GLN A 13 -8.778 -0.570 -7.092 1.00 10.00 C ATOM 177 C GLN A 13 -7.832 -0.681 -8.278 1.00 10.00 C ATOM 178 O GLN A 13 -7.066 -1.623 -8.464 1.00 10.00 O ATOM 179 CB GLN A 13 -10.166 -0.751 -7.736 1.00 10.00 C ATOM 180 CG GLN A 13 -11.403 -0.986 -6.873 1.00 10.00 C ATOM 181 CD GLN A 13 -12.659 -0.906 -7.744 1.00 10.00 C ATOM 182 OE1 GLN A 13 -12.574 -0.279 -8.832 1.00 10.00 O ATOM 183 NE2 GLN A 13 -13.677 -1.495 -7.330 1.00 10.00 N ATOM 0 H GLN A 13 -9.574 1.212 -6.361 1.00 10.00 H new ATOM 0 HA GLN A 13 -8.578 -1.287 -6.296 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -10.359 0.138 -8.337 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -10.092 -1.592 -8.426 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -11.343 -1.962 -6.392 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -11.451 -0.242 -6.078 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -13.656 -1.980 -6.433 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -14.530 -1.492 -7.889 1.00 10.00 H new ATOM 190 N LYS A 14 -8.010 0.318 -9.127 1.00 10.00 N ATOM 191 CA LYS A 14 -7.437 0.502 -10.427 1.00 10.00 C ATOM 192 C LYS A 14 -5.911 0.477 -10.287 1.00 10.00 C ATOM 193 O LYS A 14 -5.205 -0.170 -11.063 1.00 10.00 O ATOM 194 CB LYS A 14 -8.036 1.835 -10.918 1.00 10.00 C ATOM 195 CG LYS A 14 -8.735 1.750 -12.276 1.00 10.00 C ATOM 196 CD LYS A 14 -10.047 0.938 -12.154 1.00 10.00 C ATOM 197 CE LYS A 14 -11.247 1.827 -11.777 1.00 10.00 C ATOM 198 NZ LYS A 14 -12.251 1.155 -10.914 1.00 10.00 N ATOM 0 H LYS A 14 -8.626 1.094 -8.885 1.00 10.00 H new ATOM 0 HA LYS A 14 -7.660 -0.273 -11.160 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -8.750 2.193 -10.177 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -7.240 2.577 -10.978 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -8.953 2.753 -12.644 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -8.074 1.279 -13.004 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -10.251 0.436 -13.100 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -9.922 0.160 -11.401 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -10.880 2.716 -11.264 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -11.737 2.165 -12.690 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -12.973 1.844 -10.621 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -12.704 0.383 -11.444 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -11.780 0.767 -10.072 1.00 10.00 H new ATOM 212 N HIS A 15 -5.399 1.139 -9.251 1.00 10.00 N ATOM 213 CA HIS A 15 -3.989 1.135 -8.903 1.00 10.00 C ATOM 214 C HIS A 15 -3.571 -0.139 -8.152 1.00 10.00 C ATOM 215 O HIS A 15 -3.204 -0.111 -6.978 1.00 10.00 O ATOM 216 CB HIS A 15 -3.680 2.409 -8.130 1.00 10.00 C ATOM 217 CG HIS A 15 -3.466 3.605 -9.014 1.00 10.00 C ATOM 218 ND1 HIS A 15 -2.238 4.115 -9.346 1.00 10.00 N ATOM 219 CD2 HIS A 15 -4.414 4.319 -9.695 1.00 10.00 C ATOM 220 CE1 HIS A 15 -2.435 5.122 -10.211 1.00 10.00 C ATOM 221 NE2 HIS A 15 -3.743 5.272 -10.470 1.00 10.00 N ATOM 0 H HIS A 15 -5.969 1.703 -8.620 1.00 10.00 H new ATOM 0 HA HIS A 15 -3.392 1.122 -9.815 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -4.500 2.616 -7.443 1.00 10.00 H new ATOM 0 HB3 HIS A 15 -2.788 2.250 -7.524 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -5.483 4.174 -9.644 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -1.650 5.728 -10.639 1.00 10.00 H new ATOM 0 HE2 HIS A 15 -4.165 5.948 -11.107 1.00 10.00 H new ATOM 229 N ASN A 16 -3.547 -1.253 -8.885 1.00 10.00 N ATOM 230 CA ASN A 16 -2.993 -2.538 -8.435 1.00 10.00 C ATOM 231 C ASN A 16 -1.938 -3.096 -9.400 1.00 10.00 C ATOM 232 O ASN A 16 -1.427 -4.205 -9.221 1.00 10.00 O ATOM 233 CB ASN A 16 -4.118 -3.562 -8.220 1.00 10.00 C ATOM 234 CG ASN A 16 -4.668 -4.095 -9.543 1.00 10.00 C ATOM 235 OD1 ASN A 16 -4.123 -5.021 -10.135 1.00 10.00 O ATOM 236 ND2 ASN A 16 -5.740 -3.497 -10.048 1.00 10.00 N ATOM 0 H ASN A 16 -3.921 -1.291 -9.833 1.00 10.00 H new ATOM 0 HA ASN A 16 -2.490 -2.352 -7.486 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -3.743 -4.393 -7.622 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -4.925 -3.100 -7.652 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -6.123 -3.806 -10.941 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -6.181 -2.729 -9.543 1.00 10.00 H new ATOM 243 N ASN A 17 -1.613 -2.348 -10.455 1.00 10.00 N ATOM 244 CA ASN A 17 -0.831 -2.844 -11.572 1.00 10.00 C ATOM 245 C ASN A 17 -0.013 -1.685 -12.139 1.00 10.00 C ATOM 246 O ASN A 17 0.176 -0.669 -11.467 1.00 10.00 O ATOM 247 CB ASN A 17 -1.790 -3.501 -12.585 1.00 10.00 C ATOM 248 CG ASN A 17 -1.104 -4.547 -13.460 1.00 10.00 C ATOM 249 OD1 ASN A 17 -0.642 -5.572 -12.966 1.00 10.00 O ATOM 250 ND2 ASN A 17 -1.014 -4.301 -14.765 1.00 10.00 N ATOM 0 H ASN A 17 -1.891 -1.372 -10.553 1.00 10.00 H new ATOM 0 HA ASN A 17 -0.117 -3.613 -11.277 1.00 10.00 H new ATOM 0 HB2 ASN A 17 -2.614 -3.969 -12.047 1.00 10.00 H new ATOM 0 HB3 ASN A 17 -2.222 -2.729 -13.222 1.00 10.00 H new ATOM 0 HD21 ASN A 17 -0.553 -4.972 -15.380 1.00 10.00 H new ATOM 0 HD22 ASN A 17 -1.406 -3.442 -15.150 1.00 10.00 H new ATOM 257 N SER A 18 0.461 -1.819 -13.378 1.00 10.00 N ATOM 258 CA SER A 18 1.341 -0.854 -14.009 1.00 10.00 C ATOM 259 C SER A 18 0.574 0.458 -14.124 1.00 10.00 C ATOM 260 O SER A 18 -0.429 0.517 -14.840 1.00 10.00 O ATOM 261 CB SER A 18 1.819 -1.372 -15.371 1.00 10.00 C ATOM 262 OG SER A 18 2.815 -0.506 -15.873 1.00 10.00 O ATOM 0 H SER A 18 0.237 -2.615 -13.974 1.00 10.00 H new ATOM 0 HA SER A 18 2.240 -0.694 -13.414 1.00 10.00 H new ATOM 0 HB2 SER A 18 2.215 -2.382 -15.271 1.00 10.00 H new ATOM 0 HB3 SER A 18 0.982 -1.426 -16.067 1.00 10.00 H new ATOM 0 HG SER A 18 3.125 -0.834 -16.743 1.00 10.00 H new ATOM 268 N LYS A 19 1.010 1.440 -13.334 1.00 10.00 N ATOM 269 CA LYS A 19 0.470 2.776 -13.115 1.00 10.00 C ATOM 270 C LYS A 19 0.943 3.233 -11.745 1.00 10.00 C ATOM 271 O LYS A 19 1.601 4.258 -11.622 1.00 10.00 O ATOM 272 CB LYS A 19 -1.056 2.859 -13.244 1.00 10.00 C ATOM 273 CG LYS A 19 -1.930 1.976 -12.341 1.00 10.00 C ATOM 274 CD LYS A 19 -3.405 2.071 -12.765 1.00 10.00 C ATOM 275 CE LYS A 19 -3.829 0.961 -13.739 1.00 10.00 C ATOM 276 NZ LYS A 19 -3.085 0.997 -15.014 1.00 10.00 N ATOM 0 H LYS A 19 1.847 1.298 -12.769 1.00 10.00 H new ATOM 0 HA LYS A 19 0.838 3.437 -13.900 1.00 10.00 H new ATOM 0 HB2 LYS A 19 -1.345 3.895 -13.069 1.00 10.00 H new ATOM 0 HB3 LYS A 19 -1.312 2.627 -14.278 1.00 10.00 H new ATOM 0 HG2 LYS A 19 -1.594 0.941 -12.399 1.00 10.00 H new ATOM 0 HG3 LYS A 19 -1.823 2.288 -11.302 1.00 10.00 H new ATOM 0 HD2 LYS A 19 -4.035 2.026 -11.877 1.00 10.00 H new ATOM 0 HD3 LYS A 19 -3.580 3.041 -13.231 1.00 10.00 H new ATOM 0 HE2 LYS A 19 -3.678 -0.008 -13.264 1.00 10.00 H new ATOM 0 HE3 LYS A 19 -4.896 1.053 -13.944 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 -3.599 0.448 -15.732 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 -2.991 1.982 -15.334 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 -2.139 0.586 -14.876 1.00 10.00 H new ATOM 290 N SER A 20 0.625 2.412 -10.743 1.00 10.00 N ATOM 291 CA SER A 20 1.138 2.462 -9.390 1.00 10.00 C ATOM 292 C SER A 20 0.391 1.445 -8.527 1.00 10.00 C ATOM 293 O SER A 20 -0.790 1.189 -8.760 1.00 10.00 O ATOM 294 CB SER A 20 1.066 3.861 -8.767 1.00 10.00 C ATOM 295 OG SER A 20 2.350 4.407 -8.575 1.00 10.00 O ATOM 0 H SER A 20 -0.040 1.650 -10.872 1.00 10.00 H new ATOM 0 HA SER A 20 2.197 2.209 -9.433 1.00 10.00 H new ATOM 0 HB2 SER A 20 0.483 4.518 -9.412 1.00 10.00 H new ATOM 0 HB3 SER A 20 0.545 3.808 -7.811 1.00 10.00 H new ATOM 0 HG SER A 20 2.295 5.163 -7.953 1.00 10.00 H new ATOM 301 N THR A 21 1.093 0.891 -7.541 1.00 10.00 N ATOM 302 CA THR A 21 0.571 -0.014 -6.522 1.00 10.00 C ATOM 303 C THR A 21 0.044 0.770 -5.313 1.00 10.00 C ATOM 304 O THR A 21 0.832 1.126 -4.439 1.00 10.00 O ATOM 305 CB THR A 21 1.713 -0.933 -6.073 1.00 10.00 C ATOM 306 OG1 THR A 21 2.315 -1.544 -7.194 1.00 10.00 O ATOM 307 CG2 THR A 21 1.212 -2.018 -5.120 1.00 10.00 C ATOM 0 H THR A 21 2.090 1.071 -7.426 1.00 10.00 H new ATOM 0 HA THR A 21 -0.254 -0.592 -6.938 1.00 10.00 H new ATOM 0 HB THR A 21 2.444 -0.318 -5.548 1.00 10.00 H new ATOM 0 HG1 THR A 21 2.526 -2.478 -6.984 1.00 10.00 H new ATOM 0 HG21 THR A 21 2.046 -2.653 -4.820 1.00 10.00 H new ATOM 0 HG22 THR A 21 0.774 -1.553 -4.237 1.00 10.00 H new ATOM 0 HG23 THR A 21 0.458 -2.624 -5.622 1.00 10.00 H new ATOM 315 N TRP A 22 -1.270 1.004 -5.240 1.00 10.00 N ATOM 316 CA TRP A 22 -1.935 1.722 -4.152 1.00 10.00 C ATOM 317 C TRP A 22 -2.530 0.745 -3.141 1.00 10.00 C ATOM 318 O TRP A 22 -3.096 -0.257 -3.551 1.00 10.00 O ATOM 319 CB TRP A 22 -3.053 2.575 -4.747 1.00 10.00 C ATOM 320 CG TRP A 22 -2.609 3.845 -5.415 1.00 10.00 C ATOM 321 CD1 TRP A 22 -1.344 4.157 -5.766 1.00 10.00 C ATOM 322 CD2 TRP A 22 -3.414 4.975 -5.842 1.00 10.00 C ATOM 323 NE1 TRP A 22 -1.318 5.360 -6.437 1.00 10.00 N ATOM 324 CE2 TRP A 22 -2.591 5.898 -6.555 1.00 10.00 C ATOM 325 CE3 TRP A 22 -4.763 5.324 -5.662 1.00 10.00 C ATOM 326 CZ2 TRP A 22 -3.122 7.061 -7.142 1.00 10.00 C ATOM 327 CZ3 TRP A 22 -5.308 6.470 -6.255 1.00 10.00 C ATOM 328 CH2 TRP A 22 -4.508 7.306 -7.044 1.00 10.00 C ATOM 0 H TRP A 22 -1.919 0.688 -5.960 1.00 10.00 H new ATOM 0 HA TRP A 22 -1.205 2.347 -3.637 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -3.598 1.973 -5.474 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -3.755 2.829 -3.953 1.00 10.00 H new ATOM 0 HD1 TRP A 22 -0.476 3.551 -5.552 1.00 10.00 H new ATOM 0 HE1 TRP A 22 -0.472 5.798 -6.800 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -5.394 4.694 -5.052 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 -2.478 7.756 -7.660 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -6.350 6.710 -6.103 1.00 10.00 H new ATOM 0 HH2 TRP A 22 -4.951 8.135 -7.576 1.00 10.00 H new ATOM 339 N LEU A 23 -2.434 0.999 -1.833 1.00 10.00 N ATOM 340 CA LEU A 23 -3.038 0.138 -0.812 1.00 10.00 C ATOM 341 C LEU A 23 -3.513 0.999 0.353 1.00 10.00 C ATOM 342 O LEU A 23 -3.019 2.117 0.506 1.00 10.00 O ATOM 343 CB LEU A 23 -2.078 -0.965 -0.308 1.00 10.00 C ATOM 344 CG LEU A 23 -0.767 -1.142 -1.095 1.00 10.00 C ATOM 345 CD1 LEU A 23 0.318 -0.295 -0.449 1.00 10.00 C ATOM 346 CD2 LEU A 23 -0.243 -2.571 -1.103 1.00 10.00 C ATOM 0 H LEU A 23 -1.937 1.805 -1.453 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.882 -0.376 -1.272 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -1.827 -0.751 0.731 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.613 -1.914 -0.317 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.994 -0.848 -2.120 1.00 10.00 H new ATOM 0 HD11 LEU A 23 1.250 -0.415 -1.001 1.00 10.00 H new ATOM 0 HD12 LEU A 23 0.019 0.753 -0.465 1.00 10.00 H new ATOM 0 HD13 LEU A 23 0.463 -0.615 0.583 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.683 -2.616 -1.677 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -0.052 -2.894 -0.080 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.984 -3.228 -1.558 1.00 10.00 H new ATOM 358 N ILE A 24 -4.445 0.485 1.167 1.00 10.00 N ATOM 359 CA ILE A 24 -4.917 1.167 2.374 1.00 10.00 C ATOM 360 C ILE A 24 -4.277 0.555 3.609 1.00 10.00 C ATOM 361 O ILE A 24 -4.360 -0.657 3.796 1.00 10.00 O ATOM 362 CB ILE A 24 -6.455 1.136 2.534 1.00 10.00 C ATOM 363 CG1 ILE A 24 -7.276 0.826 1.274 1.00 10.00 C ATOM 364 CG2 ILE A 24 -6.935 2.418 3.221 1.00 10.00 C ATOM 365 CD1 ILE A 24 -7.354 1.964 0.264 1.00 10.00 C ATOM 0 H ILE A 24 -4.892 -0.417 1.004 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.622 2.211 2.266 1.00 10.00 H new ATOM 0 HB ILE A 24 -6.649 0.268 3.164 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.846 -0.047 0.783 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -8.288 0.556 1.575 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -8.019 2.388 3.330 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -6.473 2.498 4.205 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.654 3.281 2.617 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -7.954 1.651 -0.591 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -7.814 2.834 0.731 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -6.350 2.222 -0.072 1.00 10.00 H new ATOM 377 N LEU A 25 -3.668 1.403 4.441 1.00 10.00 N ATOM 378 CA LEU A 25 -3.071 1.049 5.721 1.00 10.00 C ATOM 379 C LEU A 25 -3.544 2.108 6.726 1.00 10.00 C ATOM 380 O LEU A 25 -2.935 3.168 6.852 1.00 10.00 O ATOM 381 CB LEU A 25 -1.538 1.016 5.604 1.00 10.00 C ATOM 382 CG LEU A 25 -0.874 -0.323 5.240 1.00 10.00 C ATOM 383 CD1 LEU A 25 -1.315 -0.925 3.905 1.00 10.00 C ATOM 384 CD2 LEU A 25 0.649 -0.127 5.188 1.00 10.00 C ATOM 0 H LEU A 25 -3.576 2.396 4.228 1.00 10.00 H new ATOM 0 HA LEU A 25 -3.375 0.055 6.048 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.244 1.750 4.854 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.122 1.348 6.555 1.00 10.00 H new ATOM 0 HG LEU A 25 -1.188 -1.022 6.015 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.791 -1.866 3.740 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -2.390 -1.106 3.925 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.079 -0.232 3.098 1.00 10.00 H new ATOM 0 HD21 LEU A 25 1.129 -1.071 4.931 1.00 10.00 H new ATOM 0 HD22 LEU A 25 0.894 0.622 4.435 1.00 10.00 H new ATOM 0 HD23 LEU A 25 1.006 0.208 6.162 1.00 10.00 H new ATOM 396 N HIS A 26 -4.642 1.843 7.434 1.00 10.00 N ATOM 397 CA HIS A 26 -5.227 2.734 8.437 1.00 10.00 C ATOM 398 C HIS A 26 -5.922 3.919 7.763 1.00 10.00 C ATOM 399 O HIS A 26 -5.695 5.071 8.129 1.00 10.00 O ATOM 400 CB HIS A 26 -4.195 3.184 9.496 1.00 10.00 C ATOM 401 CG HIS A 26 -3.260 2.103 9.985 1.00 10.00 C ATOM 402 ND1 HIS A 26 -3.533 1.168 10.957 1.00 10.00 N ATOM 403 CD2 HIS A 26 -1.981 1.881 9.546 1.00 10.00 C ATOM 404 CE1 HIS A 26 -2.444 0.389 11.084 1.00 10.00 C ATOM 405 NE2 HIS A 26 -1.477 0.780 10.236 1.00 10.00 N ATOM 0 H HIS A 26 -5.166 0.975 7.322 1.00 10.00 H new ATOM 0 HA HIS A 26 -5.984 2.170 8.981 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -3.599 3.995 9.077 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -4.732 3.592 10.352 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -1.457 2.457 8.798 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -2.358 -0.438 11.773 1.00 10.00 H new ATOM 0 HE2 HIS A 26 -0.557 0.355 10.120 1.00 10.00 H new ATOM 413 N TYR A 27 -6.755 3.639 6.755 1.00 10.00 N ATOM 414 CA TYR A 27 -7.542 4.604 5.979 1.00 10.00 C ATOM 415 C TYR A 27 -6.710 5.562 5.114 1.00 10.00 C ATOM 416 O TYR A 27 -7.164 5.964 4.043 1.00 10.00 O ATOM 417 CB TYR A 27 -8.568 5.349 6.844 1.00 10.00 C ATOM 418 CG TYR A 27 -9.617 4.471 7.508 1.00 10.00 C ATOM 419 CD1 TYR A 27 -10.416 3.611 6.729 1.00 10.00 C ATOM 420 CD2 TYR A 27 -9.890 4.613 8.882 1.00 10.00 C ATOM 421 CE1 TYR A 27 -11.482 2.905 7.312 1.00 10.00 C ATOM 422 CE2 TYR A 27 -10.962 3.913 9.463 1.00 10.00 C ATOM 423 CZ TYR A 27 -11.761 3.065 8.678 1.00 10.00 C ATOM 424 OH TYR A 27 -12.826 2.429 9.242 1.00 10.00 O ATOM 0 H TYR A 27 -6.907 2.680 6.441 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.095 3.994 5.265 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -8.034 5.899 7.619 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -9.076 6.087 6.222 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -10.208 3.493 5.676 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -9.275 5.260 9.490 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -12.085 2.241 6.710 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -11.172 4.028 10.516 1.00 10.00 H new ATOM 0 HH TYR A 27 -12.871 2.650 10.196 1.00 10.00 H new ATOM 434 N LYS A 28 -5.496 5.924 5.528 1.00 10.00 N ATOM 435 CA LYS A 28 -4.533 6.528 4.620 1.00 10.00 C ATOM 436 C LYS A 28 -4.269 5.576 3.439 1.00 10.00 C ATOM 437 O LYS A 28 -4.459 4.363 3.562 1.00 10.00 O ATOM 438 CB LYS A 28 -3.245 6.863 5.388 1.00 10.00 C ATOM 439 CG LYS A 28 -3.320 8.131 6.247 1.00 10.00 C ATOM 440 CD LYS A 28 -3.623 9.360 5.380 1.00 10.00 C ATOM 441 CE LYS A 28 -3.036 10.674 5.918 1.00 10.00 C ATOM 442 NZ LYS A 28 -3.007 11.729 4.878 1.00 10.00 N ATOM 0 H LYS A 28 -5.161 5.808 6.484 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.930 7.458 4.213 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -2.992 6.020 6.031 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.430 6.973 4.672 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -4.094 8.016 7.006 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -2.376 8.275 6.773 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -3.235 9.187 4.376 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -4.704 9.469 5.290 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -3.628 11.016 6.767 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -2.025 10.497 6.285 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -2.766 12.641 5.316 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -2.293 11.490 4.161 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -3.941 11.797 4.427 1.00 10.00 H new ATOM 456 N VAL A 29 -3.824 6.133 2.308 1.00 10.00 N ATOM 457 CA VAL A 29 -3.536 5.411 1.070 1.00 10.00 C ATOM 458 C VAL A 29 -2.055 5.567 0.728 1.00 10.00 C ATOM 459 O VAL A 29 -1.497 6.658 0.868 1.00 10.00 O ATOM 460 CB VAL A 29 -4.433 5.902 -0.074 1.00 10.00 C ATOM 461 CG1 VAL A 29 -4.121 5.182 -1.383 1.00 10.00 C ATOM 462 CG2 VAL A 29 -5.902 5.607 0.216 1.00 10.00 C ATOM 0 H VAL A 29 -3.649 7.135 2.229 1.00 10.00 H new ATOM 0 HA VAL A 29 -3.753 4.352 1.212 1.00 10.00 H new ATOM 0 HB VAL A 29 -4.244 6.972 -0.159 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -4.776 5.557 -2.169 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -3.082 5.363 -1.659 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -4.281 4.111 -1.256 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -6.515 5.965 -0.611 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -6.041 4.532 0.332 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -6.200 6.112 1.135 1.00 10.00 H new ATOM 472 N TYR A 30 -1.435 4.459 0.314 1.00 10.00 N ATOM 473 CA TYR A 30 -0.001 4.224 0.296 1.00 10.00 C ATOM 474 C TYR A 30 0.375 3.774 -1.107 1.00 10.00 C ATOM 475 O TYR A 30 -0.286 2.869 -1.605 1.00 10.00 O ATOM 476 CB TYR A 30 0.267 3.096 1.306 1.00 10.00 C ATOM 477 CG TYR A 30 0.070 3.538 2.739 1.00 10.00 C ATOM 478 CD1 TYR A 30 -1.239 3.704 3.215 1.00 10.00 C ATOM 479 CD2 TYR A 30 1.155 3.862 3.571 1.00 10.00 C ATOM 480 CE1 TYR A 30 -1.458 4.216 4.495 1.00 10.00 C ATOM 481 CE2 TYR A 30 0.922 4.282 4.897 1.00 10.00 C ATOM 482 CZ TYR A 30 -0.387 4.426 5.368 1.00 10.00 C ATOM 483 OH TYR A 30 -0.630 4.644 6.690 1.00 10.00 O ATOM 0 H TYR A 30 -1.959 3.657 -0.038 1.00 10.00 H new ATOM 0 HA TYR A 30 0.577 5.111 0.555 1.00 10.00 H new ATOM 0 HB2 TYR A 30 -0.397 2.258 1.094 1.00 10.00 H new ATOM 0 HB3 TYR A 30 1.287 2.734 1.178 1.00 10.00 H new ATOM 0 HD1 TYR A 30 -2.078 3.435 2.591 1.00 10.00 H new ATOM 0 HD2 TYR A 30 2.165 3.790 3.196 1.00 10.00 H new ATOM 0 HE1 TYR A 30 -2.463 4.452 4.813 1.00 10.00 H new ATOM 0 HE2 TYR A 30 1.756 4.493 5.550 1.00 10.00 H new ATOM 0 HH TYR A 30 -1.451 4.177 6.953 1.00 10.00 H new ATOM 493 N ASP A 31 1.390 4.377 -1.739 1.00 10.00 N ATOM 494 CA ASP A 31 1.849 3.985 -3.071 1.00 10.00 C ATOM 495 C ASP A 31 3.238 3.375 -2.958 1.00 10.00 C ATOM 496 O ASP A 31 4.096 3.957 -2.294 1.00 10.00 O ATOM 497 CB ASP A 31 1.897 5.184 -4.021 1.00 10.00 C ATOM 498 CG ASP A 31 1.922 4.764 -5.484 1.00 10.00 C ATOM 499 OD1 ASP A 31 2.372 3.635 -5.773 1.00 10.00 O ATOM 500 OD2 ASP A 31 1.437 5.558 -6.327 1.00 10.00 O ATOM 0 H ASP A 31 1.916 5.153 -1.336 1.00 10.00 H new ATOM 0 HA ASP A 31 1.145 3.259 -3.478 1.00 10.00 H new ATOM 0 HB2 ASP A 31 1.030 5.820 -3.843 1.00 10.00 H new ATOM 0 HB3 ASP A 31 2.781 5.782 -3.802 1.00 10.00 H new ATOM 505 N LEU A 32 3.474 2.221 -3.581 1.00 10.00 N ATOM 506 CA LEU A 32 4.800 1.619 -3.580 1.00 10.00 C ATOM 507 C LEU A 32 5.008 0.637 -4.725 1.00 10.00 C ATOM 508 O LEU A 32 4.776 -0.562 -4.595 1.00 10.00 O ATOM 509 CB LEU A 32 5.156 1.006 -2.224 1.00 10.00 C ATOM 510 CG LEU A 32 4.025 0.270 -1.496 1.00 10.00 C ATOM 511 CD1 LEU A 32 4.534 -1.079 -0.991 1.00 10.00 C ATOM 512 CD2 LEU A 32 3.623 1.057 -0.250 1.00 10.00 C ATOM 0 H LEU A 32 2.767 1.690 -4.089 1.00 10.00 H new ATOM 0 HA LEU A 32 5.500 2.436 -3.753 1.00 10.00 H new ATOM 0 HB2 LEU A 32 5.981 0.308 -2.369 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.522 1.801 -1.574 1.00 10.00 H new ATOM 0 HG LEU A 32 3.192 0.154 -2.189 1.00 10.00 H new ATOM 0 HD11 LEU A 32 3.729 -1.601 -0.474 1.00 10.00 H new ATOM 0 HD12 LEU A 32 4.872 -1.680 -1.835 1.00 10.00 H new ATOM 0 HD13 LEU A 32 5.364 -0.920 -0.303 1.00 10.00 H new ATOM 0 HD21 LEU A 32 2.819 0.534 0.267 1.00 10.00 H new ATOM 0 HD22 LEU A 32 4.482 1.150 0.415 1.00 10.00 H new ATOM 0 HD23 LEU A 32 3.281 2.050 -0.542 1.00 10.00 H new ATOM 524 N THR A 33 5.520 1.169 -5.829 1.00 10.00 N ATOM 525 CA THR A 33 5.944 0.464 -7.030 1.00 10.00 C ATOM 526 C THR A 33 7.395 0.012 -6.923 1.00 10.00 C ATOM 527 O THR A 33 7.744 -1.034 -7.454 1.00 10.00 O ATOM 528 CB THR A 33 5.864 1.473 -8.177 1.00 10.00 C ATOM 529 OG1 THR A 33 6.414 2.703 -7.731 1.00 10.00 O ATOM 530 CG2 THR A 33 4.417 1.721 -8.569 1.00 10.00 C ATOM 0 H THR A 33 5.659 2.176 -5.913 1.00 10.00 H new ATOM 0 HA THR A 33 5.314 -0.413 -7.180 1.00 10.00 H new ATOM 0 HB THR A 33 6.409 1.079 -9.035 1.00 10.00 H new ATOM 0 HG1 THR A 33 6.372 3.362 -8.455 1.00 10.00 H new ATOM 0 HG21 THR A 33 4.380 2.441 -9.386 1.00 10.00 H new ATOM 0 HG22 THR A 33 3.961 0.784 -8.890 1.00 10.00 H new ATOM 0 HG23 THR A 33 3.870 2.116 -7.712 1.00 10.00 H new ATOM 538 N LYS A 34 8.257 0.803 -6.280 1.00 10.00 N ATOM 539 CA LYS A 34 9.653 0.421 -6.125 1.00 10.00 C ATOM 540 C LYS A 34 9.761 -0.699 -5.101 1.00 10.00 C ATOM 541 O LYS A 34 10.513 -1.650 -5.284 1.00 10.00 O ATOM 542 CB LYS A 34 10.517 1.614 -5.690 1.00 10.00 C ATOM 543 CG LYS A 34 11.177 2.348 -6.870 1.00 10.00 C ATOM 544 CD LYS A 34 12.661 2.645 -6.585 1.00 10.00 C ATOM 545 CE LYS A 34 13.612 1.502 -6.989 1.00 10.00 C ATOM 546 NZ LYS A 34 13.220 0.183 -6.457 1.00 10.00 N ATOM 0 H LYS A 34 8.012 1.702 -5.864 1.00 10.00 H new ATOM 0 HA LYS A 34 10.023 0.077 -7.091 1.00 10.00 H new ATOM 0 HB2 LYS A 34 9.899 2.318 -5.133 1.00 10.00 H new ATOM 0 HB3 LYS A 34 11.293 1.263 -5.009 1.00 10.00 H new ATOM 0 HG2 LYS A 34 11.092 1.741 -7.772 1.00 10.00 H new ATOM 0 HG3 LYS A 34 10.648 3.281 -7.062 1.00 10.00 H new ATOM 0 HD2 LYS A 34 12.950 3.551 -7.118 1.00 10.00 H new ATOM 0 HD3 LYS A 34 12.784 2.848 -5.521 1.00 10.00 H new ATOM 0 HE2 LYS A 34 13.656 1.446 -8.077 1.00 10.00 H new ATOM 0 HE3 LYS A 34 14.618 1.739 -6.641 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 13.905 -0.535 -6.769 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 13.205 0.218 -5.418 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 12.273 -0.066 -6.808 1.00 10.00 H new ATOM 560 N PHE A 35 9.022 -0.571 -3.999 1.00 10.00 N ATOM 561 CA PHE A 35 9.273 -1.401 -2.835 1.00 10.00 C ATOM 562 C PHE A 35 8.943 -2.855 -3.146 1.00 10.00 C ATOM 563 O PHE A 35 9.577 -3.753 -2.613 1.00 10.00 O ATOM 564 CB PHE A 35 8.514 -0.890 -1.606 1.00 10.00 C ATOM 565 CG PHE A 35 9.256 -1.199 -0.321 1.00 10.00 C ATOM 566 CD1 PHE A 35 10.391 -0.429 -0.003 1.00 10.00 C ATOM 567 CD2 PHE A 35 9.009 -2.391 0.385 1.00 10.00 C ATOM 568 CE1 PHE A 35 11.254 -0.823 1.032 1.00 10.00 C ATOM 569 CE2 PHE A 35 9.896 -2.803 1.397 1.00 10.00 C ATOM 570 CZ PHE A 35 11.006 -2.013 1.735 1.00 10.00 C ATOM 0 H PHE A 35 8.255 0.093 -3.894 1.00 10.00 H new ATOM 0 HA PHE A 35 10.334 -1.342 -2.590 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.366 0.187 -1.691 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.525 -1.346 -1.574 1.00 10.00 H new ATOM 0 HD1 PHE A 35 10.600 0.472 -0.560 1.00 10.00 H new ATOM 0 HD2 PHE A 35 8.140 -2.989 0.151 1.00 10.00 H new ATOM 0 HE1 PHE A 35 12.107 -0.212 1.287 1.00 10.00 H new ATOM 0 HE2 PHE A 35 9.721 -3.733 1.917 1.00 10.00 H new ATOM 0 HZ PHE A 35 11.667 -2.319 2.533 1.00 10.00 H new ATOM 580 N LEU A 36 7.994 -3.068 -4.060 1.00 10.00 N ATOM 581 CA LEU A 36 7.817 -4.297 -4.822 1.00 10.00 C ATOM 582 C LEU A 36 9.123 -5.095 -4.989 1.00 10.00 C ATOM 583 O LEU A 36 9.165 -6.280 -4.671 1.00 10.00 O ATOM 584 CB LEU A 36 7.287 -3.901 -6.205 1.00 10.00 C ATOM 585 CG LEU A 36 5.895 -3.268 -6.269 1.00 10.00 C ATOM 586 CD1 LEU A 36 5.454 -3.360 -7.736 1.00 10.00 C ATOM 587 CD2 LEU A 36 4.869 -3.977 -5.382 1.00 10.00 C ATOM 0 H LEU A 36 7.302 -2.357 -4.296 1.00 10.00 H new ATOM 0 HA LEU A 36 7.126 -4.944 -4.282 1.00 10.00 H new ATOM 0 HB2 LEU A 36 7.996 -3.203 -6.650 1.00 10.00 H new ATOM 0 HB3 LEU A 36 7.281 -4.793 -6.832 1.00 10.00 H new ATOM 0 HG LEU A 36 5.948 -2.243 -5.903 1.00 10.00 H new ATOM 0 HD11 LEU A 36 4.462 -2.922 -7.846 1.00 10.00 H new ATOM 0 HD12 LEU A 36 6.162 -2.818 -8.363 1.00 10.00 H new ATOM 0 HD13 LEU A 36 5.425 -4.406 -8.042 1.00 10.00 H new ATOM 0 HD21 LEU A 36 3.904 -3.479 -5.473 1.00 10.00 H new ATOM 0 HD22 LEU A 36 4.773 -5.016 -5.696 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.199 -3.941 -4.344 1.00 10.00 H new ATOM 599 N GLU A 37 10.178 -4.442 -5.489 1.00 10.00 N ATOM 600 CA GLU A 37 11.496 -5.030 -5.692 1.00 10.00 C ATOM 601 C GLU A 37 12.117 -5.448 -4.357 1.00 10.00 C ATOM 602 O GLU A 37 12.594 -6.567 -4.186 1.00 10.00 O ATOM 603 CB GLU A 37 12.404 -3.966 -6.324 1.00 10.00 C ATOM 604 CG GLU A 37 11.974 -3.494 -7.721 1.00 10.00 C ATOM 605 CD GLU A 37 12.589 -2.131 -7.989 1.00 10.00 C ATOM 606 OE1 GLU A 37 13.813 -1.982 -7.773 1.00 10.00 O ATOM 607 OE2 GLU A 37 11.833 -1.158 -8.194 1.00 10.00 O ATOM 0 H GLU A 37 10.132 -3.463 -5.770 1.00 10.00 H new ATOM 0 HA GLU A 37 11.397 -5.907 -6.331 1.00 10.00 H new ATOM 0 HB2 GLU A 37 12.442 -3.102 -5.661 1.00 10.00 H new ATOM 0 HB3 GLU A 37 13.417 -4.365 -6.387 1.00 10.00 H new ATOM 0 HG2 GLU A 37 12.298 -4.209 -8.477 1.00 10.00 H new ATOM 0 HG3 GLU A 37 10.887 -3.436 -7.782 1.00 10.00 H new ATOM 614 N GLU A 38 12.169 -4.483 -3.441 1.00 10.00 N ATOM 615 CA GLU A 38 12.913 -4.528 -2.192 1.00 10.00 C ATOM 616 C GLU A 38 12.248 -5.464 -1.174 1.00 10.00 C ATOM 617 O GLU A 38 12.896 -5.933 -0.240 1.00 10.00 O ATOM 618 CB GLU A 38 13.011 -3.082 -1.676 1.00 10.00 C ATOM 619 CG GLU A 38 13.802 -2.182 -2.652 1.00 10.00 C ATOM 620 CD GLU A 38 13.282 -0.748 -2.713 1.00 10.00 C ATOM 621 OE1 GLU A 38 13.041 -0.174 -1.631 1.00 10.00 O ATOM 622 OE2 GLU A 38 13.141 -0.242 -3.850 1.00 10.00 O ATOM 0 H GLU A 38 11.665 -3.604 -3.560 1.00 10.00 H new ATOM 0 HA GLU A 38 13.911 -4.937 -2.351 1.00 10.00 H new ATOM 0 HB2 GLU A 38 12.009 -2.676 -1.537 1.00 10.00 H new ATOM 0 HB3 GLU A 38 13.496 -3.075 -0.700 1.00 10.00 H new ATOM 0 HG2 GLU A 38 14.850 -2.168 -2.353 1.00 10.00 H new ATOM 0 HG3 GLU A 38 13.761 -2.618 -3.650 1.00 10.00 H new ATOM 629 N HIS A 39 10.945 -5.708 -1.326 1.00 10.00 N ATOM 630 CA HIS A 39 10.100 -6.353 -0.341 1.00 10.00 C ATOM 631 C HIS A 39 10.445 -7.833 -0.126 1.00 10.00 C ATOM 632 O HIS A 39 10.258 -8.626 -1.046 1.00 10.00 O ATOM 633 CB HIS A 39 8.640 -6.227 -0.796 1.00 10.00 C ATOM 634 CG HIS A 39 7.678 -6.651 0.271 1.00 10.00 C ATOM 635 ND1 HIS A 39 6.654 -7.560 0.149 1.00 10.00 N ATOM 636 CD2 HIS A 39 7.625 -6.119 1.528 1.00 10.00 C ATOM 637 CE1 HIS A 39 6.009 -7.562 1.328 1.00 10.00 C ATOM 638 NE2 HIS A 39 6.562 -6.701 2.205 1.00 10.00 N ATOM 0 H HIS A 39 10.439 -5.449 -2.173 1.00 10.00 H new ATOM 0 HA HIS A 39 10.264 -5.854 0.614 1.00 10.00 H new ATOM 0 HB2 HIS A 39 8.436 -5.194 -1.077 1.00 10.00 H new ATOM 0 HB3 HIS A 39 8.484 -6.836 -1.686 1.00 10.00 H new ATOM 0 HD1 HIS A 39 6.429 -8.121 -0.673 1.00 10.00 H new ATOM 0 HD2 HIS A 39 8.296 -5.373 1.927 1.00 10.00 H new ATOM 0 HE1 HIS A 39 5.150 -8.180 1.546 1.00 10.00 H new ATOM 646 N PRO A 40 10.832 -8.254 1.092 1.00 10.00 N ATOM 647 CA PRO A 40 10.978 -9.663 1.439 1.00 10.00 C ATOM 648 C PRO A 40 9.735 -10.496 1.105 1.00 10.00 C ATOM 649 O PRO A 40 9.849 -11.604 0.593 1.00 10.00 O ATOM 650 CB PRO A 40 11.293 -9.687 2.939 1.00 10.00 C ATOM 651 CG PRO A 40 11.993 -8.346 3.147 1.00 10.00 C ATOM 652 CD PRO A 40 11.202 -7.420 2.225 1.00 10.00 C ATOM 0 HA PRO A 40 11.772 -10.122 0.850 1.00 10.00 H new ATOM 0 HB2 PRO A 40 10.389 -9.772 3.543 1.00 10.00 H new ATOM 0 HB3 PRO A 40 11.935 -10.526 3.206 1.00 10.00 H new ATOM 0 HG2 PRO A 40 11.948 -8.021 4.186 1.00 10.00 H new ATOM 0 HG3 PRO A 40 13.047 -8.390 2.872 1.00 10.00 H new ATOM 0 HD2 PRO A 40 10.321 -7.020 2.727 1.00 10.00 H new ATOM 0 HD3 PRO A 40 11.803 -6.567 1.909 1.00 10.00 H new ATOM 660 N GLY A 41 8.538 -9.959 1.373 1.00 10.00 N ATOM 661 CA GLY A 41 7.280 -10.615 1.029 1.00 10.00 C ATOM 662 C GLY A 41 7.045 -10.722 -0.487 1.00 10.00 C ATOM 663 O GLY A 41 6.111 -11.403 -0.896 1.00 10.00 O ATOM 0 H GLY A 41 8.419 -9.057 1.835 1.00 10.00 H new ATOM 0 HA2 GLY A 41 7.269 -11.615 1.463 1.00 10.00 H new ATOM 0 HA3 GLY A 41 6.455 -10.063 1.480 1.00 10.00 H new ATOM 667 N GLY A 42 7.833 -10.033 -1.324 1.00 10.00 N ATOM 668 CA GLY A 42 7.676 -10.034 -2.775 1.00 10.00 C ATOM 669 C GLY A 42 6.628 -9.032 -3.258 1.00 10.00 C ATOM 670 O GLY A 42 5.957 -8.381 -2.455 1.00 10.00 O ATOM 0 H GLY A 42 8.607 -9.452 -1.002 1.00 10.00 H new ATOM 0 HA2 GLY A 42 8.634 -9.803 -3.240 1.00 10.00 H new ATOM 0 HA3 GLY A 42 7.395 -11.034 -3.105 1.00 10.00 H new ATOM 674 N GLU A 43 6.526 -8.904 -4.585 1.00 10.00 N ATOM 675 CA GLU A 43 5.652 -7.972 -5.285 1.00 10.00 C ATOM 676 C GLU A 43 4.236 -8.540 -5.361 1.00 10.00 C ATOM 677 O GLU A 43 3.290 -7.875 -4.937 1.00 10.00 O ATOM 678 CB GLU A 43 6.290 -7.637 -6.646 1.00 10.00 C ATOM 679 CG GLU A 43 5.361 -7.144 -7.771 1.00 10.00 C ATOM 680 CD GLU A 43 4.765 -8.268 -8.620 1.00 10.00 C ATOM 681 OE1 GLU A 43 5.090 -9.440 -8.345 1.00 10.00 O ATOM 682 OE2 GLU A 43 3.980 -7.925 -9.534 1.00 10.00 O ATOM 0 H GLU A 43 7.078 -9.476 -5.225 1.00 10.00 H new ATOM 0 HA GLU A 43 5.548 -7.030 -4.747 1.00 10.00 H new ATOM 0 HB2 GLU A 43 7.051 -6.874 -6.481 1.00 10.00 H new ATOM 0 HB3 GLU A 43 6.805 -8.529 -7.003 1.00 10.00 H new ATOM 0 HG2 GLU A 43 4.549 -6.565 -7.331 1.00 10.00 H new ATOM 0 HG3 GLU A 43 5.919 -6.469 -8.420 1.00 10.00 H new ATOM 689 N GLU A 44 4.099 -9.764 -5.872 1.00 10.00 N ATOM 690 CA GLU A 44 2.840 -10.479 -6.014 1.00 10.00 C ATOM 691 C GLU A 44 1.862 -10.167 -4.874 1.00 10.00 C ATOM 692 O GLU A 44 0.782 -9.629 -5.106 1.00 10.00 O ATOM 693 CB GLU A 44 3.093 -11.993 -6.096 1.00 10.00 C ATOM 694 CG GLU A 44 4.008 -12.394 -7.259 1.00 10.00 C ATOM 695 CD GLU A 44 4.128 -13.909 -7.354 1.00 10.00 C ATOM 696 OE1 GLU A 44 4.642 -14.493 -6.376 1.00 10.00 O ATOM 697 OE2 GLU A 44 3.688 -14.457 -8.388 1.00 10.00 O ATOM 0 H GLU A 44 4.897 -10.302 -6.210 1.00 10.00 H new ATOM 0 HA GLU A 44 2.378 -10.138 -6.940 1.00 10.00 H new ATOM 0 HB2 GLU A 44 3.538 -12.331 -5.160 1.00 10.00 H new ATOM 0 HB3 GLU A 44 2.138 -12.509 -6.200 1.00 10.00 H new ATOM 0 HG2 GLU A 44 3.612 -11.997 -8.193 1.00 10.00 H new ATOM 0 HG3 GLU A 44 4.996 -11.954 -7.119 1.00 10.00 H new ATOM 704 N VAL A 45 2.267 -10.470 -3.637 1.00 10.00 N ATOM 705 CA VAL A 45 1.457 -10.286 -2.433 1.00 10.00 C ATOM 706 C VAL A 45 1.016 -8.828 -2.296 1.00 10.00 C ATOM 707 O VAL A 45 -0.147 -8.544 -2.006 1.00 10.00 O ATOM 708 CB VAL A 45 2.219 -10.782 -1.175 1.00 10.00 C ATOM 709 CG1 VAL A 45 3.050 -12.039 -1.451 1.00 10.00 C ATOM 710 CG2 VAL A 45 3.203 -9.773 -0.564 1.00 10.00 C ATOM 0 H VAL A 45 3.190 -10.859 -3.442 1.00 10.00 H new ATOM 0 HA VAL A 45 0.555 -10.892 -2.525 1.00 10.00 H new ATOM 0 HB VAL A 45 1.403 -10.966 -0.476 1.00 10.00 H new ATOM 0 HG11 VAL A 45 3.563 -12.344 -0.539 1.00 10.00 H new ATOM 0 HG12 VAL A 45 2.394 -12.843 -1.785 1.00 10.00 H new ATOM 0 HG13 VAL A 45 3.786 -11.826 -2.227 1.00 10.00 H new ATOM 0 HG21 VAL A 45 3.683 -10.216 0.309 1.00 10.00 H new ATOM 0 HG22 VAL A 45 3.961 -9.512 -1.302 1.00 10.00 H new ATOM 0 HG23 VAL A 45 2.664 -8.874 -0.265 1.00 10.00 H new ATOM 720 N LEU A 46 1.947 -7.896 -2.518 1.00 10.00 N ATOM 721 CA LEU A 46 1.676 -6.476 -2.420 1.00 10.00 C ATOM 722 C LEU A 46 0.580 -6.127 -3.403 1.00 10.00 C ATOM 723 O LEU A 46 -0.366 -5.441 -3.042 1.00 10.00 O ATOM 724 CB LEU A 46 2.946 -5.647 -2.688 1.00 10.00 C ATOM 725 CG LEU A 46 3.619 -5.114 -1.422 1.00 10.00 C ATOM 726 CD1 LEU A 46 2.809 -3.986 -0.797 1.00 10.00 C ATOM 727 CD2 LEU A 46 3.829 -6.197 -0.375 1.00 10.00 C ATOM 0 H LEU A 46 2.910 -8.115 -2.771 1.00 10.00 H new ATOM 0 HA LEU A 46 1.350 -6.236 -1.408 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.660 -6.262 -3.236 1.00 10.00 H new ATOM 0 HB3 LEU A 46 2.690 -4.806 -3.332 1.00 10.00 H new ATOM 0 HG LEU A 46 4.593 -4.740 -1.739 1.00 10.00 H new ATOM 0 HD11 LEU A 46 3.314 -3.629 0.101 1.00 10.00 H new ATOM 0 HD12 LEU A 46 2.715 -3.167 -1.510 1.00 10.00 H new ATOM 0 HD13 LEU A 46 1.817 -4.353 -0.533 1.00 10.00 H new ATOM 0 HD21 LEU A 46 4.310 -5.766 0.503 1.00 10.00 H new ATOM 0 HD22 LEU A 46 2.865 -6.620 -0.090 1.00 10.00 H new ATOM 0 HD23 LEU A 46 4.463 -6.983 -0.786 1.00 10.00 H new ATOM 739 N ARG A 47 0.701 -6.596 -4.642 1.00 10.00 N ATOM 740 CA ARG A 47 -0.199 -6.161 -5.689 1.00 10.00 C ATOM 741 C ARG A 47 -1.565 -6.830 -5.602 1.00 10.00 C ATOM 742 O ARG A 47 -2.584 -6.178 -5.799 1.00 10.00 O ATOM 743 CB ARG A 47 0.465 -6.323 -7.045 1.00 10.00 C ATOM 744 CG ARG A 47 1.635 -5.328 -7.120 1.00 10.00 C ATOM 745 CD ARG A 47 1.911 -4.885 -8.551 1.00 10.00 C ATOM 746 NE ARG A 47 2.154 -6.053 -9.393 1.00 10.00 N ATOM 747 CZ ARG A 47 1.320 -6.620 -10.270 1.00 10.00 C ATOM 748 NH1 ARG A 47 0.094 -6.127 -10.487 1.00 10.00 N ATOM 749 NH2 ARG A 47 1.763 -7.694 -10.924 1.00 10.00 N ATOM 0 H ARG A 47 1.408 -7.270 -4.937 1.00 10.00 H new ATOM 0 HA ARG A 47 -0.403 -5.100 -5.548 1.00 10.00 H new ATOM 0 HB2 ARG A 47 0.824 -7.344 -7.175 1.00 10.00 H new ATOM 0 HB3 ARG A 47 -0.250 -6.132 -7.845 1.00 10.00 H new ATOM 0 HG2 ARG A 47 1.410 -4.456 -6.507 1.00 10.00 H new ATOM 0 HG3 ARG A 47 2.531 -5.788 -6.703 1.00 10.00 H new ATOM 0 HD2 ARG A 47 1.063 -4.318 -8.936 1.00 10.00 H new ATOM 0 HD3 ARG A 47 2.775 -4.222 -8.576 1.00 10.00 H new ATOM 0 HE ARG A 47 3.071 -6.489 -9.301 1.00 10.00 H new ATOM 0 HH11 ARG A 47 -0.221 -5.301 -9.978 1.00 10.00 H new ATOM 0 HH12 ARG A 47 -0.525 -6.577 -11.162 1.00 10.00 H new ATOM 0 HH21 ARG A 47 2.702 -8.049 -10.745 1.00 10.00 H new ATOM 0 HH22 ARG A 47 1.162 -8.161 -11.603 1.00 10.00 H new ATOM 763 N GLU A 48 -1.569 -8.114 -5.262 1.00 10.00 N ATOM 764 CA GLU A 48 -2.749 -8.863 -4.853 1.00 10.00 C ATOM 765 C GLU A 48 -3.548 -8.070 -3.806 1.00 10.00 C ATOM 766 O GLU A 48 -4.767 -7.952 -3.899 1.00 10.00 O ATOM 767 CB GLU A 48 -2.267 -10.215 -4.306 1.00 10.00 C ATOM 768 CG GLU A 48 -3.390 -11.166 -3.860 1.00 10.00 C ATOM 769 CD GLU A 48 -4.244 -11.696 -5.008 1.00 10.00 C ATOM 770 OE1 GLU A 48 -3.779 -11.614 -6.166 1.00 10.00 O ATOM 771 OE2 GLU A 48 -5.344 -12.201 -4.697 1.00 10.00 O ATOM 0 H GLU A 48 -0.721 -8.681 -5.264 1.00 10.00 H new ATOM 0 HA GLU A 48 -3.421 -9.030 -5.694 1.00 10.00 H new ATOM 0 HB2 GLU A 48 -1.673 -10.711 -5.074 1.00 10.00 H new ATOM 0 HB3 GLU A 48 -1.605 -10.034 -3.459 1.00 10.00 H new ATOM 0 HG2 GLU A 48 -2.949 -12.009 -3.329 1.00 10.00 H new ATOM 0 HG3 GLU A 48 -4.034 -10.645 -3.152 1.00 10.00 H new ATOM 778 N GLN A 49 -2.866 -7.532 -2.787 1.00 10.00 N ATOM 779 CA GLN A 49 -3.495 -6.704 -1.762 1.00 10.00 C ATOM 780 C GLN A 49 -3.821 -5.308 -2.294 1.00 10.00 C ATOM 781 O GLN A 49 -4.790 -4.690 -1.858 1.00 10.00 O ATOM 782 CB GLN A 49 -2.564 -6.609 -0.544 1.00 10.00 C ATOM 783 CG GLN A 49 -2.974 -7.517 0.623 1.00 10.00 C ATOM 784 CD GLN A 49 -2.793 -9.021 0.395 1.00 10.00 C ATOM 785 OE1 GLN A 49 -2.152 -9.694 1.194 1.00 10.00 O ATOM 786 NE2 GLN A 49 -3.372 -9.589 -0.658 1.00 10.00 N ATOM 0 H GLN A 49 -1.863 -7.661 -2.654 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.436 -7.170 -1.469 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -1.551 -6.865 -0.853 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -2.540 -5.576 -0.197 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -2.396 -7.230 1.502 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -4.022 -7.328 0.855 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -3.903 -9.020 -1.317 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -3.285 -10.594 -0.807 1.00 10.00 H new ATOM 795 N ALA A 50 -2.971 -4.787 -3.179 1.00 10.00 N ATOM 796 CA ALA A 50 -3.106 -3.438 -3.696 1.00 10.00 C ATOM 797 C ALA A 50 -4.417 -3.271 -4.464 1.00 10.00 C ATOM 798 O ALA A 50 -5.100 -4.235 -4.801 1.00 10.00 O ATOM 799 CB ALA A 50 -1.927 -3.075 -4.592 1.00 10.00 C ATOM 0 H ALA A 50 -2.170 -5.295 -3.554 1.00 10.00 H new ATOM 0 HA ALA A 50 -3.116 -2.760 -2.842 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -2.053 -2.059 -4.966 1.00 10.00 H new ATOM 0 HB2 ALA A 50 -1.002 -3.138 -4.019 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -1.882 -3.768 -5.432 1.00 10.00 H new ATOM 805 N GLY A 51 -4.782 -2.016 -4.714 1.00 10.00 N ATOM 806 CA GLY A 51 -6.147 -1.619 -4.963 1.00 10.00 C ATOM 807 C GLY A 51 -7.099 -2.339 -4.030 1.00 10.00 C ATOM 808 O GLY A 51 -8.114 -2.901 -4.435 1.00 10.00 O ATOM 0 H GLY A 51 -4.120 -1.241 -4.748 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -6.247 -0.542 -4.830 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -6.411 -1.838 -5.998 1.00 10.00 H new ATOM 812 N GLY A 52 -6.765 -2.250 -2.745 1.00 10.00 N ATOM 813 CA GLY A 52 -7.559 -2.773 -1.681 1.00 10.00 C ATOM 814 C GLY A 52 -6.829 -2.481 -0.378 1.00 10.00 C ATOM 815 O GLY A 52 -5.702 -1.974 -0.347 1.00 10.00 O ATOM 0 H GLY A 52 -5.909 -1.797 -2.426 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -8.547 -2.313 -1.678 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -7.707 -3.846 -1.805 1.00 10.00 H new ATOM 819 N ASP A 53 -7.545 -2.753 0.700 1.00 10.00 N ATOM 820 CA ASP A 53 -7.065 -2.658 2.070 1.00 10.00 C ATOM 821 C ASP A 53 -6.003 -3.717 2.347 1.00 10.00 C ATOM 822 O ASP A 53 -6.120 -4.858 1.899 1.00 10.00 O ATOM 823 CB ASP A 53 -8.230 -2.796 3.059 1.00 10.00 C ATOM 824 CG ASP A 53 -7.718 -2.873 4.493 1.00 10.00 C ATOM 825 OD1 ASP A 53 -6.813 -2.075 4.820 1.00 10.00 O ATOM 826 OD2 ASP A 53 -8.186 -3.756 5.235 1.00 10.00 O ATOM 0 H ASP A 53 -8.516 -3.059 0.643 1.00 10.00 H new ATOM 0 HA ASP A 53 -6.611 -1.676 2.204 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -8.904 -1.946 2.954 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -8.807 -3.691 2.826 1.00 10.00 H new ATOM 831 N ALA A 54 -4.982 -3.337 3.116 1.00 10.00 N ATOM 832 CA ALA A 54 -4.046 -4.280 3.709 1.00 10.00 C ATOM 833 C ALA A 54 -3.648 -3.886 5.137 1.00 10.00 C ATOM 834 O ALA A 54 -2.564 -4.268 5.595 1.00 10.00 O ATOM 835 CB ALA A 54 -2.842 -4.410 2.774 1.00 10.00 C ATOM 0 H ALA A 54 -4.784 -2.362 3.343 1.00 10.00 H new ATOM 0 HA ALA A 54 -4.525 -5.254 3.813 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -2.126 -5.113 3.199 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -3.174 -4.773 1.802 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -2.367 -3.436 2.655 1.00 10.00 H new ATOM 841 N THR A 55 -4.516 -3.152 5.848 1.00 10.00 N ATOM 842 CA THR A 55 -4.213 -2.593 7.161 1.00 10.00 C ATOM 843 C THR A 55 -3.909 -3.678 8.194 1.00 10.00 C ATOM 844 O THR A 55 -2.786 -3.741 8.701 1.00 10.00 O ATOM 845 CB THR A 55 -5.340 -1.661 7.650 1.00 10.00 C ATOM 846 OG1 THR A 55 -5.641 -0.668 6.691 1.00 10.00 O ATOM 847 CG2 THR A 55 -4.878 -0.939 8.916 1.00 10.00 C ATOM 0 H THR A 55 -5.456 -2.931 5.519 1.00 10.00 H new ATOM 0 HA THR A 55 -3.308 -1.996 7.047 1.00 10.00 H new ATOM 0 HB THR A 55 -6.222 -2.275 7.831 1.00 10.00 H new ATOM 0 HG1 THR A 55 -6.325 -1.005 6.075 1.00 10.00 H new ATOM 0 HG21 THR A 55 -5.670 -0.278 9.268 1.00 10.00 H new ATOM 0 HG22 THR A 55 -4.647 -1.672 9.689 1.00 10.00 H new ATOM 0 HG23 THR A 55 -3.987 -0.352 8.695 1.00 10.00 H new ATOM 855 N GLU A 56 -4.897 -4.519 8.527 1.00 10.00 N ATOM 856 CA GLU A 56 -4.760 -5.546 9.537 1.00 10.00 C ATOM 857 C GLU A 56 -3.566 -6.404 9.172 1.00 10.00 C ATOM 858 O GLU A 56 -2.696 -6.601 9.999 1.00 10.00 O ATOM 859 CB GLU A 56 -6.049 -6.372 9.617 1.00 10.00 C ATOM 860 CG GLU A 56 -7.250 -5.502 10.021 1.00 10.00 C ATOM 861 CD GLU A 56 -8.487 -6.343 10.312 1.00 10.00 C ATOM 862 OE1 GLU A 56 -8.597 -7.428 9.702 1.00 10.00 O ATOM 863 OE2 GLU A 56 -9.299 -5.883 11.142 1.00 10.00 O ATOM 0 H GLU A 56 -5.819 -4.495 8.091 1.00 10.00 H new ATOM 0 HA GLU A 56 -4.596 -5.107 10.521 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -6.244 -6.838 8.651 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -5.922 -7.178 10.340 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -6.993 -4.916 10.903 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -7.471 -4.795 9.222 1.00 10.00 H new ATOM 870 N ASN A 57 -3.490 -6.826 7.910 1.00 10.00 N ATOM 871 CA ASN A 57 -2.339 -7.514 7.341 1.00 10.00 C ATOM 872 C ASN A 57 -0.999 -6.842 7.702 1.00 10.00 C ATOM 873 O ASN A 57 -0.038 -7.528 8.059 1.00 10.00 O ATOM 874 CB ASN A 57 -2.535 -7.642 5.823 1.00 10.00 C ATOM 875 CG ASN A 57 -1.203 -7.661 5.093 1.00 10.00 C ATOM 876 OD1 ASN A 57 -0.608 -8.714 4.910 1.00 10.00 O ATOM 877 ND2 ASN A 57 -0.711 -6.484 4.719 1.00 10.00 N ATOM 0 H ASN A 57 -4.248 -6.694 7.241 1.00 10.00 H new ATOM 0 HA ASN A 57 -2.280 -8.510 7.780 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -3.086 -8.556 5.601 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -3.139 -6.810 5.461 1.00 10.00 H new ATOM 0 HD21 ASN A 57 0.198 -6.434 4.259 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -1.243 -5.631 4.892 1.00 10.00 H new ATOM 884 N PHE A 58 -0.894 -5.517 7.560 1.00 10.00 N ATOM 885 CA PHE A 58 0.365 -4.821 7.793 1.00 10.00 C ATOM 886 C PHE A 58 0.798 -4.990 9.250 1.00 10.00 C ATOM 887 O PHE A 58 1.946 -5.353 9.518 1.00 10.00 O ATOM 888 CB PHE A 58 0.244 -3.344 7.401 1.00 10.00 C ATOM 889 CG PHE A 58 1.541 -2.561 7.510 1.00 10.00 C ATOM 890 CD1 PHE A 58 2.578 -2.781 6.582 1.00 10.00 C ATOM 891 CD2 PHE A 58 1.697 -1.583 8.510 1.00 10.00 C ATOM 892 CE1 PHE A 58 3.751 -2.008 6.635 1.00 10.00 C ATOM 893 CE2 PHE A 58 2.870 -0.808 8.561 1.00 10.00 C ATOM 894 CZ PHE A 58 3.899 -1.020 7.626 1.00 10.00 C ATOM 0 H PHE A 58 -1.667 -4.910 7.285 1.00 10.00 H new ATOM 0 HA PHE A 58 1.138 -5.261 7.163 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -0.120 -3.281 6.376 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.506 -2.872 8.035 1.00 10.00 H new ATOM 0 HD1 PHE A 58 2.471 -3.546 5.827 1.00 10.00 H new ATOM 0 HD2 PHE A 58 0.915 -1.427 9.239 1.00 10.00 H new ATOM 0 HE1 PHE A 58 4.539 -2.172 5.915 1.00 10.00 H new ATOM 0 HE2 PHE A 58 2.981 -0.048 9.320 1.00 10.00 H new ATOM 0 HZ PHE A 58 4.800 -0.426 7.668 1.00 10.00 H new ATOM 904 N GLU A 59 -0.133 -4.752 10.177 1.00 10.00 N ATOM 905 CA GLU A 59 0.088 -4.959 11.604 1.00 10.00 C ATOM 906 C GLU A 59 0.442 -6.419 11.901 1.00 10.00 C ATOM 907 O GLU A 59 1.399 -6.708 12.617 1.00 10.00 O ATOM 908 CB GLU A 59 -1.179 -4.551 12.371 1.00 10.00 C ATOM 909 CG GLU A 59 -1.407 -3.033 12.358 1.00 10.00 C ATOM 910 CD GLU A 59 -0.297 -2.276 13.072 1.00 10.00 C ATOM 911 OE1 GLU A 59 0.382 -2.881 13.935 1.00 10.00 O ATOM 912 OE2 GLU A 59 -0.053 -1.100 12.714 1.00 10.00 O ATOM 0 H GLU A 59 -1.067 -4.408 9.953 1.00 10.00 H new ATOM 0 HA GLU A 59 0.928 -4.343 11.925 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -2.043 -5.049 11.931 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -1.103 -4.896 13.402 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -1.475 -2.687 11.327 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -2.362 -2.807 12.833 1.00 10.00 H new ATOM 919 N ASP A 60 -0.348 -7.327 11.333 1.00 10.00 N ATOM 920 CA ASP A 60 -0.310 -8.770 11.492 1.00 10.00 C ATOM 921 C ASP A 60 1.106 -9.288 11.235 1.00 10.00 C ATOM 922 O ASP A 60 1.678 -10.015 12.043 1.00 10.00 O ATOM 923 CB ASP A 60 -1.323 -9.385 10.514 1.00 10.00 C ATOM 924 CG ASP A 60 -1.411 -10.891 10.698 1.00 10.00 C ATOM 925 OD1 ASP A 60 -2.011 -11.308 11.711 1.00 10.00 O ATOM 926 OD2 ASP A 60 -0.873 -11.592 9.814 1.00 10.00 O ATOM 0 H ASP A 60 -1.093 -7.043 10.697 1.00 10.00 H new ATOM 0 HA ASP A 60 -0.578 -9.054 12.510 1.00 10.00 H new ATOM 0 HB2 ASP A 60 -2.304 -8.938 10.672 1.00 10.00 H new ATOM 0 HB3 ASP A 60 -1.030 -9.157 9.489 1.00 10.00 H new ATOM 931 N HIS A 61 1.701 -8.836 10.128 1.00 10.00 N ATOM 932 CA HIS A 61 3.061 -9.198 9.742 1.00 10.00 C ATOM 933 C HIS A 61 4.147 -8.516 10.589 1.00 10.00 C ATOM 934 O HIS A 61 5.330 -8.740 10.345 1.00 10.00 O ATOM 935 CB HIS A 61 3.245 -8.904 8.252 1.00 10.00 C ATOM 936 CG HIS A 61 2.511 -9.881 7.372 1.00 10.00 C ATOM 937 ND1 HIS A 61 1.165 -9.873 7.099 1.00 10.00 N ATOM 938 CD2 HIS A 61 3.046 -10.997 6.790 1.00 10.00 C ATOM 939 CE1 HIS A 61 0.898 -10.956 6.351 1.00 10.00 C ATOM 940 NE2 HIS A 61 2.017 -11.666 6.123 1.00 10.00 N ATOM 0 H HIS A 61 1.245 -8.203 9.471 1.00 10.00 H new ATOM 0 HA HIS A 61 3.188 -10.264 9.933 1.00 10.00 H new ATOM 0 HB2 HIS A 61 2.894 -7.894 8.039 1.00 10.00 H new ATOM 0 HB3 HIS A 61 4.307 -8.930 8.009 1.00 10.00 H new ATOM 0 HD1 HIS A 61 0.491 -9.172 7.408 1.00 10.00 H new ATOM 0 HD2 HIS A 61 4.080 -11.306 6.838 1.00 10.00 H new ATOM 0 HE1 HIS A 61 -0.082 -11.221 5.983 1.00 10.00 H new ATOM 948 N GLY A 62 3.787 -7.693 11.580 1.00 10.00 N ATOM 949 CA GLY A 62 4.731 -7.114 12.526 1.00 10.00 C ATOM 950 C GLY A 62 5.793 -6.255 11.839 1.00 10.00 C ATOM 951 O GLY A 62 6.967 -6.304 12.200 1.00 10.00 O ATOM 0 H GLY A 62 2.821 -7.411 11.745 1.00 10.00 H new ATOM 0 HA2 GLY A 62 4.189 -6.506 13.250 1.00 10.00 H new ATOM 0 HA3 GLY A 62 5.219 -7.914 13.083 1.00 10.00 H new ATOM 955 N HIS A 63 5.375 -5.455 10.857 1.00 10.00 N ATOM 956 CA HIS A 63 6.279 -4.649 10.047 1.00 10.00 C ATOM 957 C HIS A 63 7.135 -3.695 10.891 1.00 10.00 C ATOM 958 O HIS A 63 6.638 -3.077 11.835 1.00 10.00 O ATOM 959 CB HIS A 63 5.454 -3.905 8.996 1.00 10.00 C ATOM 960 CG HIS A 63 5.145 -4.787 7.819 1.00 10.00 C ATOM 961 ND1 HIS A 63 4.010 -5.534 7.609 1.00 10.00 N ATOM 962 CD2 HIS A 63 5.965 -4.969 6.747 1.00 10.00 C ATOM 963 CE1 HIS A 63 4.139 -6.128 6.404 1.00 10.00 C ATOM 964 NE2 HIS A 63 5.322 -5.816 5.843 1.00 10.00 N ATOM 0 H HIS A 63 4.393 -5.350 10.603 1.00 10.00 H new ATOM 0 HA HIS A 63 6.993 -5.307 9.551 1.00 10.00 H new ATOM 0 HB2 HIS A 63 4.524 -3.553 9.443 1.00 10.00 H new ATOM 0 HB3 HIS A 63 6.000 -3.024 8.659 1.00 10.00 H new ATOM 0 HD1 HIS A 63 3.218 -5.623 8.245 1.00 10.00 H new ATOM 0 HD2 HIS A 63 6.945 -4.533 6.618 1.00 10.00 H new ATOM 0 HE1 HIS A 63 3.395 -6.766 5.952 1.00 10.00 H new ATOM 972 N SER A 64 8.426 -3.583 10.556 1.00 10.00 N ATOM 973 CA SER A 64 9.401 -2.884 11.383 1.00 10.00 C ATOM 974 C SER A 64 9.119 -1.383 11.479 1.00 10.00 C ATOM 975 O SER A 64 8.327 -0.828 10.719 1.00 10.00 O ATOM 976 CB SER A 64 10.823 -3.123 10.851 1.00 10.00 C ATOM 977 OG SER A 64 11.110 -2.262 9.763 1.00 10.00 O ATOM 0 H SER A 64 8.819 -3.977 9.701 1.00 10.00 H new ATOM 0 HA SER A 64 9.316 -3.293 12.390 1.00 10.00 H new ATOM 0 HB2 SER A 64 11.546 -2.959 11.650 1.00 10.00 H new ATOM 0 HB3 SER A 64 10.927 -4.161 10.535 1.00 10.00 H new ATOM 0 HG SER A 64 12.011 -1.891 9.868 1.00 10.00 H new ATOM 983 N THR A 65 9.840 -0.720 12.383 1.00 10.00 N ATOM 984 CA THR A 65 10.015 0.721 12.474 1.00 10.00 C ATOM 985 C THR A 65 10.300 1.346 11.111 1.00 10.00 C ATOM 986 O THR A 65 9.688 2.334 10.714 1.00 10.00 O ATOM 987 CB THR A 65 11.235 0.923 13.394 1.00 10.00 C ATOM 988 OG1 THR A 65 12.132 -0.184 13.281 1.00 10.00 O ATOM 989 CG2 THR A 65 10.773 0.982 14.851 1.00 10.00 C ATOM 0 H THR A 65 10.349 -1.212 13.117 1.00 10.00 H new ATOM 0 HA THR A 65 9.110 1.196 12.852 1.00 10.00 H new ATOM 0 HB THR A 65 11.732 1.847 13.099 1.00 10.00 H new ATOM 0 HG1 THR A 65 12.528 -0.194 12.385 1.00 10.00 H new ATOM 0 HG21 THR A 65 11.636 1.125 15.501 1.00 10.00 H new ATOM 0 HG22 THR A 65 10.080 1.814 14.980 1.00 10.00 H new ATOM 0 HG23 THR A 65 10.273 0.049 15.112 1.00 10.00 H new ATOM 997 N ASP A 66 11.262 0.762 10.411 1.00 10.00 N ATOM 998 CA ASP A 66 11.766 1.175 9.120 1.00 10.00 C ATOM 999 C ASP A 66 10.609 1.147 8.125 1.00 10.00 C ATOM 1000 O ASP A 66 10.326 2.140 7.457 1.00 10.00 O ATOM 1001 CB ASP A 66 12.918 0.234 8.701 1.00 10.00 C ATOM 1002 CG ASP A 66 13.792 -0.224 9.870 1.00 10.00 C ATOM 1003 OD1 ASP A 66 13.210 -0.897 10.761 1.00 10.00 O ATOM 1004 OD2 ASP A 66 14.989 0.123 9.872 1.00 10.00 O ATOM 0 H ASP A 66 11.740 -0.069 10.759 1.00 10.00 H new ATOM 0 HA ASP A 66 12.167 2.188 9.154 1.00 10.00 H new ATOM 0 HB2 ASP A 66 12.498 -0.642 8.207 1.00 10.00 H new ATOM 0 HB3 ASP A 66 13.544 0.744 7.968 1.00 10.00 H new ATOM 1009 N ALA A 67 9.904 0.011 8.071 1.00 10.00 N ATOM 1010 CA ALA A 67 8.751 -0.191 7.211 1.00 10.00 C ATOM 1011 C ALA A 67 7.661 0.824 7.556 1.00 10.00 C ATOM 1012 O ALA A 67 7.002 1.369 6.676 1.00 10.00 O ATOM 1013 CB ALA A 67 8.235 -1.624 7.361 1.00 10.00 C ATOM 0 H ALA A 67 10.131 -0.805 8.639 1.00 10.00 H new ATOM 0 HA ALA A 67 9.042 -0.040 6.172 1.00 10.00 H new ATOM 0 HB1 ALA A 67 7.370 -1.769 6.713 1.00 10.00 H new ATOM 0 HB2 ALA A 67 9.021 -2.325 7.079 1.00 10.00 H new ATOM 0 HB3 ALA A 67 7.946 -1.800 8.397 1.00 10.00 H new ATOM 1019 N ARG A 68 7.483 1.070 8.856 1.00 10.00 N ATOM 1020 CA ARG A 68 6.614 2.093 9.412 1.00 10.00 C ATOM 1021 C ARG A 68 6.948 3.467 8.808 1.00 10.00 C ATOM 1022 O ARG A 68 6.136 4.027 8.071 1.00 10.00 O ATOM 1023 CB ARG A 68 6.728 2.066 10.951 1.00 10.00 C ATOM 1024 CG ARG A 68 5.432 1.639 11.648 1.00 10.00 C ATOM 1025 CD ARG A 68 5.302 0.110 11.709 1.00 10.00 C ATOM 1026 NE ARG A 68 3.950 -0.264 12.160 1.00 10.00 N ATOM 1027 CZ ARG A 68 3.613 -1.324 12.915 1.00 10.00 C ATOM 1028 NH1 ARG A 68 4.475 -2.310 13.168 1.00 10.00 N ATOM 1029 NH2 ARG A 68 2.390 -1.379 13.428 1.00 10.00 N ATOM 0 H ARG A 68 7.966 0.534 9.577 1.00 10.00 H new ATOM 0 HA ARG A 68 5.574 1.892 9.153 1.00 10.00 H new ATOM 0 HB2 ARG A 68 7.528 1.383 11.237 1.00 10.00 H new ATOM 0 HB3 ARG A 68 7.013 3.057 11.305 1.00 10.00 H new ATOM 0 HG2 ARG A 68 5.410 2.048 12.658 1.00 10.00 H new ATOM 0 HG3 ARG A 68 4.577 2.057 11.116 1.00 10.00 H new ATOM 0 HD2 ARG A 68 5.498 -0.319 10.726 1.00 10.00 H new ATOM 0 HD3 ARG A 68 6.048 -0.300 12.390 1.00 10.00 H new ATOM 0 HE ARG A 68 3.188 0.347 11.868 1.00 10.00 H new ATOM 0 HH11 ARG A 68 5.420 -2.272 12.785 1.00 10.00 H new ATOM 0 HH12 ARG A 68 4.190 -3.101 13.745 1.00 10.00 H new ATOM 0 HH21 ARG A 68 1.726 -0.626 13.246 1.00 10.00 H new ATOM 0 HH22 ARG A 68 2.114 -2.174 14.004 1.00 10.00 H new ATOM 1043 N GLU A 69 8.132 4.019 9.094 1.00 10.00 N ATOM 1044 CA GLU A 69 8.589 5.289 8.544 1.00 10.00 C ATOM 1045 C GLU A 69 8.392 5.323 7.022 1.00 10.00 C ATOM 1046 O GLU A 69 7.823 6.275 6.480 1.00 10.00 O ATOM 1047 CB GLU A 69 10.053 5.529 8.970 1.00 10.00 C ATOM 1048 CG GLU A 69 10.304 6.977 9.422 1.00 10.00 C ATOM 1049 CD GLU A 69 9.455 7.372 10.623 1.00 10.00 C ATOM 1050 OE1 GLU A 69 9.133 6.501 11.463 1.00 10.00 O ATOM 1051 OE2 GLU A 69 8.986 8.532 10.664 1.00 10.00 O ATOM 0 H GLU A 69 8.806 3.585 9.724 1.00 10.00 H new ATOM 0 HA GLU A 69 7.991 6.108 8.943 1.00 10.00 H new ATOM 0 HB2 GLU A 69 10.308 4.849 9.783 1.00 10.00 H new ATOM 0 HB3 GLU A 69 10.714 5.292 8.137 1.00 10.00 H new ATOM 0 HG2 GLU A 69 11.358 7.098 9.672 1.00 10.00 H new ATOM 0 HG3 GLU A 69 10.093 7.654 8.594 1.00 10.00 H new ATOM 1058 N LEU A 70 8.794 4.247 6.340 1.00 10.00 N ATOM 1059 CA LEU A 70 8.580 4.110 4.909 1.00 10.00 C ATOM 1060 C LEU A 70 7.111 4.337 4.536 1.00 10.00 C ATOM 1061 O LEU A 70 6.800 5.130 3.649 1.00 10.00 O ATOM 1062 CB LEU A 70 9.081 2.741 4.397 1.00 10.00 C ATOM 1063 CG LEU A 70 10.400 2.781 3.607 1.00 10.00 C ATOM 1064 CD1 LEU A 70 10.480 3.972 2.645 1.00 10.00 C ATOM 1065 CD2 LEU A 70 11.604 2.776 4.553 1.00 10.00 C ATOM 0 H LEU A 70 9.273 3.454 6.767 1.00 10.00 H new ATOM 0 HA LEU A 70 9.166 4.885 4.416 1.00 10.00 H new ATOM 0 HB2 LEU A 70 9.207 2.076 5.251 1.00 10.00 H new ATOM 0 HB3 LEU A 70 8.310 2.303 3.763 1.00 10.00 H new ATOM 0 HG LEU A 70 10.423 1.877 2.998 1.00 10.00 H new ATOM 0 HD11 LEU A 70 11.432 3.948 2.115 1.00 10.00 H new ATOM 0 HD12 LEU A 70 9.663 3.914 1.926 1.00 10.00 H new ATOM 0 HD13 LEU A 70 10.402 4.901 3.209 1.00 10.00 H new ATOM 0 HD21 LEU A 70 12.525 2.805 3.970 1.00 10.00 H new ATOM 0 HD22 LEU A 70 11.559 3.649 5.204 1.00 10.00 H new ATOM 0 HD23 LEU A 70 11.587 1.870 5.159 1.00 10.00 H new ATOM 1077 N SER A 71 6.190 3.676 5.235 1.00 10.00 N ATOM 1078 CA SER A 71 4.771 3.805 4.951 1.00 10.00 C ATOM 1079 C SER A 71 4.334 5.263 5.052 1.00 10.00 C ATOM 1080 O SER A 71 3.560 5.724 4.218 1.00 10.00 O ATOM 1081 CB SER A 71 3.960 2.808 5.798 1.00 10.00 C ATOM 1082 OG SER A 71 3.695 3.293 7.097 1.00 10.00 O ATOM 0 H SER A 71 6.408 3.044 6.005 1.00 10.00 H new ATOM 0 HA SER A 71 4.563 3.526 3.918 1.00 10.00 H new ATOM 0 HB2 SER A 71 3.017 2.591 5.295 1.00 10.00 H new ATOM 0 HB3 SER A 71 4.507 1.868 5.869 1.00 10.00 H new ATOM 0 HG SER A 71 4.533 3.578 7.517 1.00 10.00 H new ATOM 1088 N LYS A 72 4.888 6.016 6.006 1.00 10.00 N ATOM 1089 CA LYS A 72 4.555 7.432 6.124 1.00 10.00 C ATOM 1090 C LYS A 72 4.888 8.142 4.819 1.00 10.00 C ATOM 1091 O LYS A 72 4.032 8.779 4.212 1.00 10.00 O ATOM 1092 CB LYS A 72 5.288 8.102 7.293 1.00 10.00 C ATOM 1093 CG LYS A 72 5.147 7.298 8.584 1.00 10.00 C ATOM 1094 CD LYS A 72 5.807 8.049 9.746 1.00 10.00 C ATOM 1095 CE LYS A 72 5.927 7.157 10.992 1.00 10.00 C ATOM 1096 NZ LYS A 72 6.913 7.692 11.951 1.00 10.00 N ATOM 0 H LYS A 72 5.557 5.674 6.695 1.00 10.00 H new ATOM 0 HA LYS A 72 3.487 7.510 6.327 1.00 10.00 H new ATOM 0 HB2 LYS A 72 6.344 8.211 7.046 1.00 10.00 H new ATOM 0 HB3 LYS A 72 4.891 9.106 7.444 1.00 10.00 H new ATOM 0 HG2 LYS A 72 4.093 7.128 8.803 1.00 10.00 H new ATOM 0 HG3 LYS A 72 5.610 6.318 8.464 1.00 10.00 H new ATOM 0 HD2 LYS A 72 6.797 8.391 9.445 1.00 10.00 H new ATOM 0 HD3 LYS A 72 5.222 8.937 9.987 1.00 10.00 H new ATOM 0 HE2 LYS A 72 4.954 7.076 11.477 1.00 10.00 H new ATOM 0 HE3 LYS A 72 6.219 6.150 10.693 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 7.552 6.929 12.254 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 7.465 8.447 11.496 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 6.417 8.077 12.780 1.00 10.00 H new ATOM 1110 N THR A 73 6.138 8.013 4.376 1.00 10.00 N ATOM 1111 CA THR A 73 6.575 8.697 3.161 1.00 10.00 C ATOM 1112 C THR A 73 5.829 8.176 1.921 1.00 10.00 C ATOM 1113 O THR A 73 5.629 8.924 0.968 1.00 10.00 O ATOM 1114 CB THR A 73 8.111 8.733 3.033 1.00 10.00 C ATOM 1115 OG1 THR A 73 8.510 9.749 2.134 1.00 10.00 O ATOM 1116 CG2 THR A 73 8.748 7.428 2.564 1.00 10.00 C ATOM 0 H THR A 73 6.856 7.450 4.832 1.00 10.00 H new ATOM 0 HA THR A 73 6.291 9.746 3.238 1.00 10.00 H new ATOM 0 HB THR A 73 8.461 8.922 4.048 1.00 10.00 H new ATOM 0 HG1 THR A 73 9.488 9.760 2.065 1.00 10.00 H new ATOM 0 HG21 THR A 73 9.829 7.552 2.505 1.00 10.00 H new ATOM 0 HG22 THR A 73 8.512 6.633 3.271 1.00 10.00 H new ATOM 0 HG23 THR A 73 8.358 7.166 1.580 1.00 10.00 H new ATOM 1124 N PHE A 74 5.371 6.918 1.937 1.00 10.00 N ATOM 1125 CA PHE A 74 4.589 6.359 0.840 1.00 10.00 C ATOM 1126 C PHE A 74 3.159 6.897 0.792 1.00 10.00 C ATOM 1127 O PHE A 74 2.455 6.613 -0.180 1.00 10.00 O ATOM 1128 CB PHE A 74 4.520 4.836 0.950 1.00 10.00 C ATOM 1129 CG PHE A 74 5.827 4.070 0.946 1.00 10.00 C ATOM 1130 CD1 PHE A 74 6.929 4.481 0.170 1.00 10.00 C ATOM 1131 CD2 PHE A 74 5.854 2.816 1.575 1.00 10.00 C ATOM 1132 CE1 PHE A 74 8.060 3.653 0.063 1.00 10.00 C ATOM 1133 CE2 PHE A 74 6.939 1.953 1.383 1.00 10.00 C ATOM 1134 CZ PHE A 74 8.070 2.394 0.690 1.00 10.00 C ATOM 0 H PHE A 74 5.533 6.268 2.706 1.00 10.00 H new ATOM 0 HA PHE A 74 5.101 6.660 -0.074 1.00 10.00 H new ATOM 0 HB2 PHE A 74 3.990 4.590 1.870 1.00 10.00 H new ATOM 0 HB3 PHE A 74 3.913 4.467 0.124 1.00 10.00 H new ATOM 0 HD1 PHE A 74 6.905 5.431 -0.342 1.00 10.00 H new ATOM 0 HD2 PHE A 74 5.034 2.515 2.210 1.00 10.00 H new ATOM 0 HE1 PHE A 74 8.920 3.983 -0.500 1.00 10.00 H new ATOM 0 HE2 PHE A 74 6.902 0.946 1.771 1.00 10.00 H new ATOM 0 HZ PHE A 74 8.949 1.769 0.636 1.00 10.00 H new ATOM 1144 N ILE A 75 2.687 7.593 1.832 1.00 10.00 N ATOM 1145 CA ILE A 75 1.334 8.156 1.794 1.00 10.00 C ATOM 1146 C ILE A 75 1.140 9.100 0.601 1.00 10.00 C ATOM 1147 O ILE A 75 1.941 10.004 0.377 1.00 10.00 O ATOM 1148 CB ILE A 75 0.931 8.801 3.135 1.00 10.00 C ATOM 1149 CG1 ILE A 75 0.613 7.657 4.098 1.00 10.00 C ATOM 1150 CG2 ILE A 75 -0.301 9.712 3.014 1.00 10.00 C ATOM 1151 CD1 ILE A 75 0.586 8.091 5.566 1.00 10.00 C ATOM 0 H ILE A 75 3.207 7.777 2.690 1.00 10.00 H new ATOM 0 HA ILE A 75 0.648 7.323 1.643 1.00 10.00 H new ATOM 0 HB ILE A 75 1.750 9.430 3.484 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -0.354 7.228 3.835 1.00 10.00 H new ATOM 0 HG13 ILE A 75 1.356 6.869 3.973 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -0.536 10.137 3.990 1.00 10.00 H new ATOM 0 HG22 ILE A 75 -0.091 10.516 2.309 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -1.151 9.130 2.657 1.00 10.00 H new ATOM 0 HD11 ILE A 75 0.355 7.232 6.195 1.00 10.00 H new ATOM 0 HD12 ILE A 75 1.560 8.493 5.845 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -0.176 8.858 5.705 1.00 10.00 H new ATOM 1163 N ILE A 76 0.044 8.895 -0.138 1.00 10.00 N ATOM 1164 CA ILE A 76 -0.300 9.627 -1.359 1.00 10.00 C ATOM 1165 C ILE A 76 -1.715 10.216 -1.326 1.00 10.00 C ATOM 1166 O ILE A 76 -2.100 10.935 -2.250 1.00 10.00 O ATOM 1167 CB ILE A 76 -0.204 8.675 -2.565 1.00 10.00 C ATOM 1168 CG1 ILE A 76 -0.881 7.330 -2.231 1.00 10.00 C ATOM 1169 CG2 ILE A 76 1.258 8.501 -2.995 1.00 10.00 C ATOM 1170 CD1 ILE A 76 -1.402 6.567 -3.449 1.00 10.00 C ATOM 0 H ILE A 76 -0.651 8.190 0.107 1.00 10.00 H new ATOM 0 HA ILE A 76 0.405 10.454 -1.440 1.00 10.00 H new ATOM 0 HB ILE A 76 -0.736 9.107 -3.412 1.00 10.00 H new ATOM 0 HG12 ILE A 76 -0.168 6.700 -1.700 1.00 10.00 H new ATOM 0 HG13 ILE A 76 -1.712 7.514 -1.550 1.00 10.00 H new ATOM 0 HG21 ILE A 76 1.308 7.825 -3.849 1.00 10.00 H new ATOM 0 HG22 ILE A 76 1.673 9.470 -3.274 1.00 10.00 H new ATOM 0 HG23 ILE A 76 1.833 8.085 -2.168 1.00 10.00 H new ATOM 0 HD11 ILE A 76 -1.863 5.634 -3.124 1.00 10.00 H new ATOM 0 HD12 ILE A 76 -2.142 7.175 -3.970 1.00 10.00 H new ATOM 0 HD13 ILE A 76 -0.574 6.347 -4.123 1.00 10.00 H new ATOM 1182 N GLY A 77 -2.526 9.850 -0.334 1.00 10.00 N ATOM 1183 CA GLY A 77 -3.975 9.931 -0.479 1.00 10.00 C ATOM 1184 C GLY A 77 -4.615 9.358 0.758 1.00 10.00 C ATOM 1185 O GLY A 77 -3.916 8.914 1.672 1.00 10.00 O ATOM 0 H GLY A 77 -2.207 9.498 0.569 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -4.284 10.967 -0.619 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -4.298 9.380 -1.362 1.00 10.00 H new ATOM 1189 N GLU A 78 -5.945 9.343 0.747 1.00 10.00 N ATOM 1190 CA GLU A 78 -6.757 8.759 1.779 1.00 10.00 C ATOM 1191 C GLU A 78 -7.963 8.078 1.164 1.00 10.00 C ATOM 1192 O GLU A 78 -8.423 8.482 0.106 1.00 10.00 O ATOM 1193 CB GLU A 78 -7.250 9.866 2.714 1.00 10.00 C ATOM 1194 CG GLU A 78 -6.099 10.704 3.298 1.00 10.00 C ATOM 1195 CD GLU A 78 -5.562 11.893 2.499 1.00 10.00 C ATOM 1196 OE1 GLU A 78 -6.018 12.185 1.372 1.00 10.00 O ATOM 1197 OE2 GLU A 78 -4.644 12.512 3.081 1.00 10.00 O ATOM 0 H GLU A 78 -6.492 9.753 -0.010 1.00 10.00 H new ATOM 0 HA GLU A 78 -6.164 8.029 2.330 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -7.931 10.520 2.169 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -7.820 9.421 3.529 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -6.426 11.081 4.267 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -5.263 10.029 3.484 1.00 10.00 H new ATOM 1204 N LEU A 79 -8.474 7.068 1.850 1.00 10.00 N ATOM 1205 CA LEU A 79 -9.632 6.288 1.448 1.00 10.00 C ATOM 1206 C LEU A 79 -10.857 7.147 1.716 1.00 10.00 C ATOM 1207 O LEU A 79 -11.049 7.604 2.843 1.00 10.00 O ATOM 1208 CB LEU A 79 -9.602 4.970 2.240 1.00 10.00 C ATOM 1209 CG LEU A 79 -10.681 3.917 1.934 1.00 10.00 C ATOM 1210 CD1 LEU A 79 -11.869 4.042 2.881 1.00 10.00 C ATOM 1211 CD2 LEU A 79 -11.213 3.943 0.502 1.00 10.00 C ATOM 0 H LEU A 79 -8.077 6.758 2.737 1.00 10.00 H new ATOM 0 HA LEU A 79 -9.644 6.021 0.391 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -8.629 4.507 2.080 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -9.667 5.216 3.300 1.00 10.00 H new ATOM 0 HG LEU A 79 -10.165 2.968 2.076 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -12.611 3.283 2.636 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -11.532 3.901 3.908 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -12.314 5.032 2.777 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -11.968 3.167 0.380 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -11.657 4.917 0.297 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -10.393 3.764 -0.194 1.00 10.00 H new ATOM 1223 N HIS A 80 -11.624 7.438 0.662 1.00 10.00 N ATOM 1224 CA HIS A 80 -12.733 8.366 0.712 1.00 10.00 C ATOM 1225 C HIS A 80 -13.739 8.068 1.838 1.00 10.00 C ATOM 1226 O HIS A 80 -13.747 6.963 2.376 1.00 10.00 O ATOM 1227 CB HIS A 80 -13.365 8.409 -0.683 1.00 10.00 C ATOM 1228 CG HIS A 80 -14.141 9.655 -0.976 1.00 10.00 C ATOM 1229 ND1 HIS A 80 -15.489 9.738 -1.240 1.00 10.00 N ATOM 1230 CD2 HIS A 80 -13.613 10.918 -1.016 1.00 10.00 C ATOM 1231 CE1 HIS A 80 -15.777 11.040 -1.400 1.00 10.00 C ATOM 1232 NE2 HIS A 80 -14.673 11.797 -1.261 1.00 10.00 N ATOM 0 H HIS A 80 -11.481 7.024 -0.259 1.00 10.00 H new ATOM 0 HA HIS A 80 -12.365 9.358 0.974 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -12.577 8.304 -1.428 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -14.026 7.550 -0.795 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -12.575 11.185 -0.883 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -16.763 11.428 -1.612 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -14.620 12.814 -1.322 1.00 10.00 H new ATOM 1240 N PRO A 81 -14.599 9.014 2.258 1.00 10.00 N ATOM 1241 CA PRO A 81 -15.488 8.742 3.368 1.00 10.00 C ATOM 1242 C PRO A 81 -16.720 7.974 2.963 1.00 10.00 C ATOM 1243 O PRO A 81 -17.225 7.176 3.746 1.00 10.00 O ATOM 1244 CB PRO A 81 -15.925 10.105 3.910 1.00 10.00 C ATOM 1245 CG PRO A 81 -14.847 11.058 3.395 1.00 10.00 C ATOM 1246 CD PRO A 81 -14.604 10.446 2.020 1.00 10.00 C ATOM 0 HA PRO A 81 -14.962 8.130 4.101 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -16.914 10.383 3.545 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -15.975 10.106 4.999 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -15.193 12.090 3.339 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -13.953 11.055 4.019 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -15.386 10.729 1.315 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -13.657 10.782 1.597 1.00 10.00 H new ATOM 1254 N ASP A 82 -17.240 8.280 1.777 1.00 10.00 N ATOM 1255 CA ASP A 82 -18.470 7.660 1.317 1.00 10.00 C ATOM 1256 C ASP A 82 -18.256 6.141 1.229 1.00 10.00 C ATOM 1257 O ASP A 82 -19.098 5.335 1.608 1.00 10.00 O ATOM 1258 CB ASP A 82 -18.846 8.273 -0.033 1.00 10.00 C ATOM 1259 CG ASP A 82 -20.200 7.762 -0.501 1.00 10.00 C ATOM 1260 OD1 ASP A 82 -21.201 8.181 0.117 1.00 10.00 O ATOM 1261 OD2 ASP A 82 -20.202 6.992 -1.485 1.00 10.00 O ATOM 0 H ASP A 82 -16.830 8.948 1.125 1.00 10.00 H new ATOM 0 HA ASP A 82 -19.293 7.839 2.009 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -18.872 9.359 0.051 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -18.084 8.028 -0.773 1.00 10.00 H new ATOM 1266 N ASP A 83 -17.046 5.813 0.768 1.00 10.00 N ATOM 1267 CA ASP A 83 -16.373 4.531 0.712 1.00 10.00 C ATOM 1268 C ASP A 83 -16.642 3.608 1.914 1.00 10.00 C ATOM 1269 O ASP A 83 -17.252 2.551 1.759 1.00 10.00 O ATOM 1270 CB ASP A 83 -14.871 4.854 0.564 1.00 10.00 C ATOM 1271 CG ASP A 83 -14.282 4.224 -0.686 1.00 10.00 C ATOM 1272 OD1 ASP A 83 -14.319 2.979 -0.723 1.00 10.00 O ATOM 1273 OD2 ASP A 83 -13.787 4.974 -1.563 1.00 10.00 O ATOM 0 H ASP A 83 -16.447 6.540 0.378 1.00 10.00 H new ATOM 0 HA ASP A 83 -16.761 3.956 -0.129 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -14.733 5.935 0.527 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -14.333 4.494 1.441 1.00 10.00 H new ATOM 1278 N ARG A 84 -16.109 3.969 3.087 1.00 10.00 N ATOM 1279 CA ARG A 84 -15.995 3.076 4.245 1.00 10.00 C ATOM 1280 C ARG A 84 -17.221 3.098 5.192 1.00 10.00 C ATOM 1281 O ARG A 84 -17.904 4.148 5.319 1.00 10.00 O ATOM 1282 CB ARG A 84 -14.641 3.280 4.981 1.00 10.00 C ATOM 1283 CG ARG A 84 -14.222 4.726 5.338 1.00 10.00 C ATOM 1284 CD ARG A 84 -15.466 5.336 5.953 1.00 10.00 C ATOM 1285 NE ARG A 84 -15.433 6.679 6.509 1.00 10.00 N ATOM 1286 CZ ARG A 84 -16.619 7.250 6.796 1.00 10.00 C ATOM 1287 NH1 ARG A 84 -17.767 6.581 6.577 1.00 10.00 N ATOM 1288 NH2 ARG A 84 -16.654 8.485 7.311 1.00 10.00 N ATOM 1289 OXT ARG A 84 -17.392 2.072 5.884 1.00 10.00 O ATOM 0 H ARG A 84 -15.739 4.904 3.261 1.00 10.00 H new ATOM 0 HA ARG A 84 -15.998 2.061 3.848 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -14.673 2.703 5.905 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -13.855 2.847 4.362 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -13.386 4.737 6.038 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -13.904 5.278 4.453 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -16.242 5.324 5.188 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -15.793 4.667 6.749 1.00 10.00 H new ATOM 0 HE ARG A 84 -14.552 7.166 6.674 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -17.742 5.637 6.192 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -18.662 7.018 6.796 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -15.785 8.990 7.485 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -17.550 8.921 7.530 1.00 10.00 H new TER 1303 ARG A 84 HETATM 1304 FE HEM A 201 6.013 -6.238 4.046 1.00 10.00 FE HETATM 1305 CHA HEM A 201 8.259 -8.536 5.427 1.00 10.00 C HETATM 1306 CHB HEM A 201 8.451 -3.753 4.314 1.00 10.00 C HETATM 1307 CHC HEM A 201 3.713 -3.892 3.015 1.00 10.00 C HETATM 1308 CHD HEM A 201 3.732 -8.809 3.508 1.00 10.00 C HETATM 1309 NA HEM A 201 7.997 -6.160 4.736 1.00 10.00 N HETATM 1310 C1A HEM A 201 8.674 -7.208 5.297 1.00 10.00 C HETATM 1311 C2A HEM A 201 9.944 -6.697 5.765 1.00 10.00 C HETATM 1312 C3A HEM A 201 10.010 -5.366 5.424 1.00 10.00 C HETATM 1313 C4A HEM A 201 8.772 -5.031 4.764 1.00 10.00 C HETATM 1314 CMA HEM A 201 11.128 -4.412 5.790 1.00 10.00 C HETATM 1315 CAA HEM A 201 10.948 -7.421 6.633 1.00 10.00 C HETATM 1316 CBA HEM A 201 10.550 -7.381 8.107 1.00 10.00 C HETATM 1317 CGA HEM A 201 11.775 -7.347 9.012 1.00 10.00 C HETATM 1318 O1A HEM A 201 12.700 -8.143 8.741 1.00 10.00 O HETATM 1319 O2A HEM A 201 11.771 -6.511 9.939 1.00 10.00 O HETATM 1320 NB HEM A 201 6.088 -4.212 3.674 1.00 10.00 N HETATM 1321 C1B HEM A 201 7.192 -3.404 3.835 1.00 10.00 C HETATM 1322 C2B HEM A 201 6.815 -2.059 3.463 1.00 10.00 C HETATM 1323 C3B HEM A 201 5.481 -2.116 3.137 1.00 10.00 C HETATM 1324 C4B HEM A 201 5.016 -3.472 3.271 1.00 10.00 C HETATM 1325 CMB HEM A 201 7.699 -0.834 3.497 1.00 10.00 C HETATM 1326 CAB HEM A 201 4.654 -0.996 2.545 1.00 10.00 C HETATM 1327 CBB HEM A 201 4.204 -0.004 3.337 1.00 10.00 C HETATM 1328 NC HEM A 201 4.063 -6.327 3.410 1.00 10.00 N HETATM 1329 C1C HEM A 201 3.317 -5.227 3.061 1.00 10.00 C HETATM 1330 C2C HEM A 201 1.993 -5.682 2.728 1.00 10.00 C HETATM 1331 C3C HEM A 201 2.038 -7.057 2.788 1.00 10.00 C HETATM 1332 C4C HEM A 201 3.329 -7.478 3.274 1.00 10.00 C HETATM 1333 CMC HEM A 201 0.807 -4.792 2.429 1.00 10.00 C HETATM 1334 CAC HEM A 201 0.932 -7.995 2.363 1.00 10.00 C HETATM 1335 CBC HEM A 201 0.515 -7.986 1.081 1.00 10.00 C HETATM 1336 ND HEM A 201 5.992 -8.306 4.419 1.00 10.00 N HETATM 1337 C1D HEM A 201 4.974 -9.147 4.061 1.00 10.00 C HETATM 1338 C2D HEM A 201 5.420 -10.497 4.330 1.00 10.00 C HETATM 1339 C3D HEM A 201 6.678 -10.412 4.881 1.00 10.00 C HETATM 1340 C4D HEM A 201 7.034 -9.014 4.947 1.00 10.00 C HETATM 1341 CMD HEM A 201 4.687 -11.782 4.019 1.00 10.00 C HETATM 1342 CAD HEM A 201 7.587 -11.576 5.198 1.00 10.00 C HETATM 1343 CBD HEM A 201 7.639 -11.918 6.687 1.00 10.00 C HETATM 1344 CGD HEM A 201 8.647 -13.037 6.916 1.00 10.00 C HETATM 1345 O1D HEM A 201 8.204 -14.134 7.315 1.00 10.00 O HETATM 1346 O2D HEM A 201 9.841 -12.773 6.659 1.00 10.00 O HETATM 0 HMA1 HEM A 201 11.639 -4.775 6.682 1.00 10.00 H new HETATM 0 HMA2 HEM A 201 10.713 -3.423 5.987 1.00 10.00 H new HETATM 0 HMA3 HEM A 201 11.838 -4.350 4.965 1.00 10.00 H new HETATM 0 HMB1 HEM A 201 8.440 -0.942 4.289 1.00 10.00 H new HETATM 0 HMB2 HEM A 201 7.090 0.049 3.689 1.00 10.00 H new HETATM 0 HMB3 HEM A 201 8.205 -0.724 2.538 1.00 10.00 H new HETATM 0 HMC1 HEM A 201 0.139 -5.298 1.731 1.00 10.00 H new HETATM 0 HMC2 HEM A 201 1.155 -3.859 1.986 1.00 10.00 H new HETATM 0 HMC3 HEM A 201 0.271 -4.577 3.353 1.00 10.00 H new HETATM 0 HMD1 HEM A 201 3.612 -11.606 4.058 1.00 10.00 H new HETATM 0 HMD2 HEM A 201 4.957 -12.542 4.752 1.00 10.00 H new HETATM 0 HMD3 HEM A 201 4.962 -12.126 3.022 1.00 10.00 H new HETATM 0 HBB1 HEM A 201 3.608 0.804 2.913 1.00 10.00 H new HETATM 0 HBB2 HEM A 201 4.436 -0.009 4.402 1.00 10.00 H new HETATM 0 HBC1 HEM A 201 -0.282 -8.658 0.762 1.00 10.00 H new HETATM 0 HBC2 HEM A 201 0.975 -7.307 0.363 1.00 10.00 H new HETATM 0 HBA1 HEM A 201 9.943 -8.255 8.346 1.00 10.00 H new HETATM 0 HBA2 HEM A 201 9.932 -6.503 8.295 1.00 10.00 H new HETATM 0 HAA1 HEM A 201 11.931 -6.967 6.509 1.00 10.00 H new HETATM 0 HAA2 HEM A 201 11.032 -8.458 6.306 1.00 10.00 H new HETATM 0 HBD1 HEM A 201 6.653 -12.225 7.035 1.00 10.00 H new HETATM 0 HBD2 HEM A 201 7.920 -11.037 7.264 1.00 10.00 H new HETATM 0 HAD1 HEM A 201 8.594 -11.346 4.850 1.00 10.00 H new HETATM 0 HAD2 HEM A 201 7.250 -12.452 4.643 1.00 10.00 H new HETATM 0 HHA HEM A 201 8.919 -9.231 5.925 1.00 10.00 H new HETATM 0 HHB HEM A 201 9.219 -2.994 4.338 1.00 10.00 H new HETATM 0 HHC HEM A 201 2.972 -3.145 2.768 1.00 10.00 H new HETATM 0 HHD HEM A 201 3.051 -9.606 3.249 1.00 10.00 H new HETATM 0 HAB HEM A 201 4.423 -0.992 1.480 1.00 10.00 H new HETATM 0 HAC HEM A 201 0.476 -8.672 3.086 1.00 10.00 H new