USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 695 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 95 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 95 HEMFE :(H bumps) USER MOD Set 1.1: A 27 HIS : no HE2:sc= -7.62! C(o=-7.4!,f=-8.7!) USER MOD Set 1.2: A 28 LYS NZ :NH3+ -170:sc= 0.242 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 124:sc= -1.99 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -1.05 X(o=-1,f=-1.3) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HE2:sc= -14! C(o=-14!,f=-9.7!) USER MOD Single : A 16 LYS NZ :NH3+ -154:sc= -0.0861 (180deg=-0.457) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 52:sc= 0.315 USER MOD Single : A 26 HIS : no HD1:sc= -0.282 X(o=-0.28,f=-0.052) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -74:sc= 0.306 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.258 X(o=-0.26,f=-0.42) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.0894 X(o=-0.089,f=-0.4) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -31:sc= 0.426 USER MOD Single : A 71 SER OG : rot 180:sc= -0.616 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -4.22! C(o=-4.2!,f=-5.1!) USER MOD Single : A 85 SER OG : rot -23:sc= 0.194 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HEM CMA :methyl -30:sc= -1.05 (180deg=-2.16) USER MOD Single : A 95 HEM CMB :methyl 150:sc= -3.18 (180deg=-3.18) USER MOD Single : A 95 HEM CMC :methyl -30:sc= -1.78 (180deg=-4.23!) USER MOD Single : A 95 HEM CMD :methyl 150:sc=-0.000538 (180deg=-0.000538) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 4 14.852 12.953 -27.339 1.00 0.00 N ATOM 2 CA VAL A 4 14.452 13.996 -26.409 1.00 0.00 C ATOM 3 C VAL A 4 15.628 14.335 -25.492 1.00 0.00 C ATOM 4 O VAL A 4 16.640 13.635 -25.488 1.00 0.00 O ATOM 5 CB VAL A 4 13.202 13.559 -25.642 1.00 0.00 C ATOM 6 CG1 VAL A 4 13.553 13.149 -24.210 1.00 0.00 C ATOM 7 CG2 VAL A 4 12.140 14.661 -25.652 1.00 0.00 C ATOM 0 HA VAL A 4 14.187 14.907 -26.946 1.00 0.00 H new ATOM 0 HB VAL A 4 12.786 12.688 -26.148 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.647 12.843 -23.687 1.00 0.00 H new ATOM 0 HG12 VAL A 4 14.258 12.318 -24.232 1.00 0.00 H new ATOM 0 HG13 VAL A 4 14.004 13.994 -23.690 1.00 0.00 H new ATOM 0 HG21 VAL A 4 11.262 14.325 -25.100 1.00 0.00 H new ATOM 0 HG22 VAL A 4 12.542 15.558 -25.182 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.858 14.885 -26.681 1.00 0.00 H new ATOM 17 N LYS A 5 15.457 15.410 -24.736 1.00 0.00 N ATOM 18 CA LYS A 5 16.492 15.851 -23.817 1.00 0.00 C ATOM 19 C LYS A 5 16.312 15.141 -22.475 1.00 0.00 C ATOM 20 O LYS A 5 15.210 15.104 -21.930 1.00 0.00 O ATOM 21 CB LYS A 5 16.497 17.378 -23.708 1.00 0.00 C ATOM 22 CG LYS A 5 17.917 17.931 -23.842 1.00 0.00 C ATOM 23 CD LYS A 5 17.986 19.385 -23.367 1.00 0.00 C ATOM 24 CE LYS A 5 18.945 19.529 -22.184 1.00 0.00 C ATOM 25 NZ LYS A 5 19.638 20.835 -22.234 1.00 0.00 N ATOM 0 H LYS A 5 14.617 15.988 -24.741 1.00 0.00 H new ATOM 0 HA LYS A 5 17.477 15.578 -24.194 1.00 0.00 H new ATOM 0 HB2 LYS A 5 15.862 17.804 -24.485 1.00 0.00 H new ATOM 0 HB3 LYS A 5 16.074 17.679 -22.750 1.00 0.00 H new ATOM 0 HG2 LYS A 5 18.606 17.321 -23.258 1.00 0.00 H new ATOM 0 HG3 LYS A 5 18.239 17.868 -24.881 1.00 0.00 H new ATOM 0 HD2 LYS A 5 18.315 20.024 -24.186 1.00 0.00 H new ATOM 0 HD3 LYS A 5 16.992 19.725 -23.077 1.00 0.00 H new ATOM 0 HE2 LYS A 5 18.393 19.439 -21.248 1.00 0.00 H new ATOM 0 HE3 LYS A 5 19.677 18.721 -22.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 20.285 20.916 -21.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 20.180 20.907 -23.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 18.937 21.602 -22.195 1.00 0.00 H new ATOM 39 N TYR A 6 17.412 14.593 -21.979 1.00 0.00 N ATOM 40 CA TYR A 6 17.390 13.885 -20.711 1.00 0.00 C ATOM 41 C TYR A 6 17.596 14.849 -19.540 1.00 0.00 C ATOM 42 O TYR A 6 18.722 15.055 -19.091 1.00 0.00 O ATOM 43 CB TYR A 6 18.561 12.901 -20.756 1.00 0.00 C ATOM 44 CG TYR A 6 18.237 11.582 -21.460 1.00 0.00 C ATOM 45 CD1 TYR A 6 17.016 10.973 -21.258 1.00 0.00 C ATOM 46 CD2 TYR A 6 19.168 11.000 -22.298 1.00 0.00 C ATOM 47 CE1 TYR A 6 16.711 9.731 -21.920 1.00 0.00 C ATOM 48 CE2 TYR A 6 18.863 9.758 -22.961 1.00 0.00 C ATOM 49 CZ TYR A 6 17.649 9.185 -22.739 1.00 0.00 C ATOM 50 OH TYR A 6 17.363 8.012 -23.365 1.00 0.00 O ATOM 0 H TYR A 6 18.325 14.625 -22.433 1.00 0.00 H new ATOM 0 HA TYR A 6 16.431 13.388 -20.567 1.00 0.00 H new ATOM 0 HB2 TYR A 6 19.402 13.375 -21.263 1.00 0.00 H new ATOM 0 HB3 TYR A 6 18.883 12.688 -19.737 1.00 0.00 H new ATOM 0 HD1 TYR A 6 16.288 11.428 -20.603 1.00 0.00 H new ATOM 0 HD2 TYR A 6 20.124 11.476 -22.456 1.00 0.00 H new ATOM 0 HE1 TYR A 6 15.759 9.244 -21.769 1.00 0.00 H new ATOM 0 HE2 TYR A 6 19.582 9.292 -23.619 1.00 0.00 H new ATOM 0 HH TYR A 6 18.125 7.742 -23.918 1.00 0.00 H new ATOM 60 N TYR A 7 16.490 15.417 -19.081 1.00 0.00 N ATOM 61 CA TYR A 7 16.534 16.355 -17.973 1.00 0.00 C ATOM 62 C TYR A 7 16.261 15.647 -16.645 1.00 0.00 C ATOM 63 O TYR A 7 15.285 14.909 -16.519 1.00 0.00 O ATOM 64 CB TYR A 7 15.420 17.370 -18.234 1.00 0.00 C ATOM 65 CG TYR A 7 14.524 17.019 -19.424 1.00 0.00 C ATOM 66 CD1 TYR A 7 13.474 16.139 -19.259 1.00 0.00 C ATOM 67 CD2 TYR A 7 14.767 17.580 -20.660 1.00 0.00 C ATOM 68 CE1 TYR A 7 12.630 15.807 -20.378 1.00 0.00 C ATOM 69 CE2 TYR A 7 13.923 17.249 -21.779 1.00 0.00 C ATOM 70 CZ TYR A 7 12.896 16.379 -21.583 1.00 0.00 C ATOM 71 OH TYR A 7 12.100 16.065 -22.640 1.00 0.00 O ATOM 0 H TYR A 7 15.558 15.245 -19.457 1.00 0.00 H new ATOM 0 HA TYR A 7 17.517 16.822 -17.905 1.00 0.00 H new ATOM 0 HB2 TYR A 7 14.802 17.454 -17.340 1.00 0.00 H new ATOM 0 HB3 TYR A 7 15.867 18.349 -18.406 1.00 0.00 H new ATOM 0 HD1 TYR A 7 13.285 15.699 -18.291 1.00 0.00 H new ATOM 0 HD2 TYR A 7 15.590 18.267 -20.789 1.00 0.00 H new ATOM 0 HE1 TYR A 7 11.805 15.120 -20.263 1.00 0.00 H new ATOM 0 HE2 TYR A 7 14.102 17.682 -22.752 1.00 0.00 H new ATOM 0 HH TYR A 7 11.724 16.886 -23.021 1.00 0.00 H new ATOM 81 N THR A 8 17.141 15.895 -15.686 1.00 0.00 N ATOM 82 CA THR A 8 17.007 15.292 -14.371 1.00 0.00 C ATOM 83 C THR A 8 15.900 15.985 -13.576 1.00 0.00 C ATOM 84 O THR A 8 15.567 17.139 -13.844 1.00 0.00 O ATOM 85 CB THR A 8 18.373 15.345 -13.685 1.00 0.00 C ATOM 86 OG1 THR A 8 18.592 16.734 -13.453 1.00 0.00 O ATOM 87 CG2 THR A 8 19.515 14.939 -14.620 1.00 0.00 C ATOM 0 H THR A 8 17.950 16.506 -15.794 1.00 0.00 H new ATOM 0 HA THR A 8 16.705 14.247 -14.444 1.00 0.00 H new ATOM 0 HB THR A 8 18.367 14.690 -12.814 1.00 0.00 H new ATOM 0 HG1 THR A 8 19.457 16.859 -13.009 1.00 0.00 H new ATOM 0 HG21 THR A 8 20.462 14.994 -14.083 1.00 0.00 H new ATOM 0 HG22 THR A 8 19.354 13.919 -14.969 1.00 0.00 H new ATOM 0 HG23 THR A 8 19.543 15.615 -15.475 1.00 0.00 H new ATOM 95 N LEU A 9 15.360 15.254 -12.611 1.00 0.00 N ATOM 96 CA LEU A 9 14.297 15.785 -11.775 1.00 0.00 C ATOM 97 C LEU A 9 14.640 17.221 -11.373 1.00 0.00 C ATOM 98 O LEU A 9 13.748 18.022 -11.100 1.00 0.00 O ATOM 99 CB LEU A 9 14.039 14.859 -10.586 1.00 0.00 C ATOM 100 CG LEU A 9 15.196 13.942 -10.184 1.00 0.00 C ATOM 101 CD1 LEU A 9 16.483 14.743 -9.977 1.00 0.00 C ATOM 102 CD2 LEU A 9 14.836 13.109 -8.954 1.00 0.00 C ATOM 0 H LEU A 9 15.639 14.298 -12.390 1.00 0.00 H new ATOM 0 HA LEU A 9 13.359 15.824 -12.329 1.00 0.00 H new ATOM 0 HB2 LEU A 9 13.772 15.472 -9.725 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.173 14.238 -10.816 1.00 0.00 H new ATOM 0 HG LEU A 9 15.378 13.244 -11.002 1.00 0.00 H new ATOM 0 HD11 LEU A 9 17.290 14.068 -9.692 1.00 0.00 H new ATOM 0 HD12 LEU A 9 16.747 15.253 -10.903 1.00 0.00 H new ATOM 0 HD13 LEU A 9 16.330 15.479 -9.188 1.00 0.00 H new ATOM 0 HD21 LEU A 9 15.676 12.467 -8.691 1.00 0.00 H new ATOM 0 HD22 LEU A 9 14.611 13.772 -8.119 1.00 0.00 H new ATOM 0 HD23 LEU A 9 13.964 12.493 -9.174 1.00 0.00 H new ATOM 114 N GLU A 10 15.935 17.503 -11.351 1.00 0.00 N ATOM 115 CA GLU A 10 16.406 18.828 -10.987 1.00 0.00 C ATOM 116 C GLU A 10 15.608 19.899 -11.734 1.00 0.00 C ATOM 117 O GLU A 10 15.428 21.008 -11.233 1.00 0.00 O ATOM 118 CB GLU A 10 17.904 18.971 -11.260 1.00 0.00 C ATOM 119 CG GLU A 10 18.547 19.960 -10.285 1.00 0.00 C ATOM 120 CD GLU A 10 19.817 20.571 -10.882 1.00 0.00 C ATOM 121 OE1 GLU A 10 19.779 20.893 -12.089 1.00 0.00 O ATOM 122 OE2 GLU A 10 20.796 20.703 -10.117 1.00 0.00 O ATOM 0 H GLU A 10 16.672 16.836 -11.579 1.00 0.00 H new ATOM 0 HA GLU A 10 16.250 18.967 -9.917 1.00 0.00 H new ATOM 0 HB2 GLU A 10 18.388 17.999 -11.170 1.00 0.00 H new ATOM 0 HB3 GLU A 10 18.060 19.311 -12.284 1.00 0.00 H new ATOM 0 HG2 GLU A 10 17.837 20.751 -10.043 1.00 0.00 H new ATOM 0 HG3 GLU A 10 18.788 19.451 -9.351 1.00 0.00 H new ATOM 129 N GLU A 11 15.149 19.529 -12.921 1.00 0.00 N ATOM 130 CA GLU A 11 14.375 20.444 -13.742 1.00 0.00 C ATOM 131 C GLU A 11 12.878 20.198 -13.543 1.00 0.00 C ATOM 132 O GLU A 11 12.130 21.122 -13.227 1.00 0.00 O ATOM 133 CB GLU A 11 14.760 20.317 -15.218 1.00 0.00 C ATOM 134 CG GLU A 11 16.278 20.213 -15.381 1.00 0.00 C ATOM 135 CD GLU A 11 16.997 21.200 -14.460 1.00 0.00 C ATOM 136 OE1 GLU A 11 16.502 22.343 -14.356 1.00 0.00 O ATOM 137 OE2 GLU A 11 18.025 20.789 -13.881 1.00 0.00 O ATOM 0 H GLU A 11 15.298 18.608 -13.333 1.00 0.00 H new ATOM 0 HA GLU A 11 14.601 21.463 -13.428 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.283 19.436 -15.648 1.00 0.00 H new ATOM 0 HB3 GLU A 11 14.390 21.181 -15.770 1.00 0.00 H new ATOM 0 HG2 GLU A 11 16.603 19.197 -15.156 1.00 0.00 H new ATOM 0 HG3 GLU A 11 16.551 20.412 -16.417 1.00 0.00 H new ATOM 144 N ILE A 12 12.485 18.947 -13.737 1.00 0.00 N ATOM 145 CA ILE A 12 11.091 18.568 -13.583 1.00 0.00 C ATOM 146 C ILE A 12 10.594 19.015 -12.206 1.00 0.00 C ATOM 147 O ILE A 12 9.461 19.474 -12.071 1.00 0.00 O ATOM 148 CB ILE A 12 10.911 17.072 -13.846 1.00 0.00 C ATOM 149 CG1 ILE A 12 11.252 16.724 -15.296 1.00 0.00 C ATOM 150 CG2 ILE A 12 9.502 16.613 -13.462 1.00 0.00 C ATOM 151 CD1 ILE A 12 12.693 16.223 -15.415 1.00 0.00 C ATOM 0 H ILE A 12 13.108 18.183 -13.999 1.00 0.00 H new ATOM 0 HA ILE A 12 10.474 19.075 -14.325 1.00 0.00 H new ATOM 0 HB ILE A 12 11.611 16.528 -13.212 1.00 0.00 H new ATOM 0 HG12 ILE A 12 10.566 15.960 -15.661 1.00 0.00 H new ATOM 0 HG13 ILE A 12 11.115 17.603 -15.926 1.00 0.00 H new ATOM 0 HG21 ILE A 12 9.401 15.546 -13.659 1.00 0.00 H new ATOM 0 HG22 ILE A 12 9.333 16.804 -12.402 1.00 0.00 H new ATOM 0 HG23 ILE A 12 8.767 17.162 -14.051 1.00 0.00 H new ATOM 0 HD11 ILE A 12 12.910 15.983 -16.456 1.00 0.00 H new ATOM 0 HD12 ILE A 12 13.377 16.999 -15.072 1.00 0.00 H new ATOM 0 HD13 ILE A 12 12.820 15.330 -14.802 1.00 0.00 H new ATOM 163 N GLN A 13 11.467 18.866 -11.220 1.00 0.00 N ATOM 164 CA GLN A 13 11.132 19.248 -9.860 1.00 0.00 C ATOM 165 C GLN A 13 10.998 20.770 -9.754 1.00 0.00 C ATOM 166 O GLN A 13 10.150 21.271 -9.019 1.00 0.00 O ATOM 167 CB GLN A 13 12.170 18.720 -8.870 1.00 0.00 C ATOM 168 CG GLN A 13 13.372 19.662 -8.778 1.00 0.00 C ATOM 169 CD GLN A 13 14.372 19.175 -7.728 1.00 0.00 C ATOM 170 OE1 GLN A 13 14.087 18.312 -6.915 1.00 0.00 O ATOM 171 NE2 GLN A 13 15.557 19.775 -7.790 1.00 0.00 N ATOM 0 H GLN A 13 12.406 18.486 -11.337 1.00 0.00 H new ATOM 0 HA GLN A 13 10.173 18.799 -9.604 1.00 0.00 H new ATOM 0 HB2 GLN A 13 11.715 18.609 -7.886 1.00 0.00 H new ATOM 0 HB3 GLN A 13 12.503 17.730 -9.181 1.00 0.00 H new ATOM 0 HG2 GLN A 13 13.862 19.727 -9.749 1.00 0.00 H new ATOM 0 HG3 GLN A 13 13.033 20.666 -8.524 1.00 0.00 H new ATOM 0 HE21 GLN A 13 15.730 20.490 -8.496 1.00 0.00 H new ATOM 0 HE22 GLN A 13 16.293 19.520 -7.131 1.00 0.00 H new ATOM 180 N LYS A 14 11.850 21.460 -10.497 1.00 0.00 N ATOM 181 CA LYS A 14 11.838 22.913 -10.496 1.00 0.00 C ATOM 182 C LYS A 14 10.638 23.409 -11.306 1.00 0.00 C ATOM 183 O LYS A 14 10.328 24.599 -11.298 1.00 0.00 O ATOM 184 CB LYS A 14 13.180 23.460 -10.987 1.00 0.00 C ATOM 185 CG LYS A 14 13.140 24.985 -11.104 1.00 0.00 C ATOM 186 CD LYS A 14 14.453 25.606 -10.625 1.00 0.00 C ATOM 187 CE LYS A 14 14.193 26.861 -9.789 1.00 0.00 C ATOM 188 NZ LYS A 14 15.402 27.715 -9.745 1.00 0.00 N ATOM 0 H LYS A 14 12.554 21.040 -11.104 1.00 0.00 H new ATOM 0 HA LYS A 14 11.717 23.293 -9.481 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.971 23.165 -10.298 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.422 23.023 -11.956 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.956 25.269 -12.140 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.312 25.377 -10.514 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.009 24.879 -10.033 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.074 25.859 -11.484 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.360 27.422 -10.213 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.904 26.577 -8.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.208 28.562 -9.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 16.188 27.183 -9.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.661 28.001 -10.711 1.00 0.00 H new ATOM 202 N HIS A 15 9.996 22.472 -11.988 1.00 0.00 N ATOM 203 CA HIS A 15 8.837 22.798 -12.802 1.00 0.00 C ATOM 204 C HIS A 15 7.560 22.421 -12.050 1.00 0.00 C ATOM 205 O HIS A 15 6.733 21.668 -12.565 1.00 0.00 O ATOM 206 CB HIS A 15 8.934 22.136 -14.177 1.00 0.00 C ATOM 207 CG HIS A 15 10.144 22.558 -14.977 1.00 0.00 C ATOM 208 ND1 HIS A 15 10.357 23.865 -15.380 1.00 0.00 N ATOM 209 CD2 HIS A 15 11.200 21.833 -15.445 1.00 0.00 C ATOM 210 CE1 HIS A 15 11.494 23.913 -16.059 1.00 0.00 C ATOM 211 NE2 HIS A 15 12.015 22.653 -16.099 1.00 0.00 N ATOM 0 H HIS A 15 10.257 21.486 -11.994 1.00 0.00 H new ATOM 0 HA HIS A 15 8.806 23.872 -12.983 1.00 0.00 H new ATOM 0 HB2 HIS A 15 8.956 21.054 -14.047 1.00 0.00 H new ATOM 0 HB3 HIS A 15 8.035 22.371 -14.746 1.00 0.00 H new ATOM 0 HD1 HIS A 15 9.743 24.657 -15.187 1.00 0.00 H new ATOM 0 HD2 HIS A 15 11.348 20.772 -15.307 1.00 0.00 H new ATOM 0 HE1 HIS A 15 11.931 24.795 -16.503 1.00 0.00 H new ATOM 219 N LYS A 16 7.438 22.959 -10.846 1.00 0.00 N ATOM 220 CA LYS A 16 6.274 22.687 -10.019 1.00 0.00 C ATOM 221 C LYS A 16 5.420 23.952 -9.917 1.00 0.00 C ATOM 222 O LYS A 16 5.118 24.415 -8.818 1.00 0.00 O ATOM 223 CB LYS A 16 6.701 22.122 -8.663 1.00 0.00 C ATOM 224 CG LYS A 16 5.485 21.689 -7.842 1.00 0.00 C ATOM 225 CD LYS A 16 5.466 22.386 -6.479 1.00 0.00 C ATOM 226 CE LYS A 16 6.184 21.543 -5.423 1.00 0.00 C ATOM 227 NZ LYS A 16 5.408 20.321 -5.119 1.00 0.00 N ATOM 0 H LYS A 16 8.126 23.582 -10.423 1.00 0.00 H new ATOM 0 HA LYS A 16 5.652 21.918 -10.477 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.365 21.271 -8.813 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.266 22.875 -8.113 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.571 21.924 -8.387 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.503 20.608 -7.701 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.946 23.362 -6.559 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.435 22.562 -6.170 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.177 21.271 -5.780 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.322 22.129 -4.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.631 19.999 -4.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.391 20.529 -5.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.655 19.574 -5.799 1.00 0.00 H new ATOM 241 N ASP A 17 5.054 24.476 -11.077 1.00 0.00 N ATOM 242 CA ASP A 17 4.240 25.679 -11.133 1.00 0.00 C ATOM 243 C ASP A 17 3.176 25.519 -12.221 1.00 0.00 C ATOM 244 O ASP A 17 3.384 24.800 -13.197 1.00 0.00 O ATOM 245 CB ASP A 17 5.090 26.903 -11.477 1.00 0.00 C ATOM 246 CG ASP A 17 5.755 27.587 -10.281 1.00 0.00 C ATOM 247 OD1 ASP A 17 5.158 27.519 -9.185 1.00 0.00 O ATOM 248 OD2 ASP A 17 6.844 28.161 -10.490 1.00 0.00 O ATOM 0 H ASP A 17 5.306 24.089 -11.987 1.00 0.00 H new ATOM 0 HA ASP A 17 3.782 25.823 -10.155 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.866 26.601 -12.181 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.461 27.631 -11.989 1.00 0.00 H new ATOM 253 N SER A 18 2.059 26.201 -12.016 1.00 0.00 N ATOM 254 CA SER A 18 0.962 26.145 -12.967 1.00 0.00 C ATOM 255 C SER A 18 1.474 26.456 -14.376 1.00 0.00 C ATOM 256 O SER A 18 0.949 25.936 -15.359 1.00 0.00 O ATOM 257 CB SER A 18 -0.153 27.119 -12.581 1.00 0.00 C ATOM 258 OG SER A 18 0.334 28.449 -12.417 1.00 0.00 O ATOM 0 H SER A 18 1.890 26.796 -11.205 1.00 0.00 H new ATOM 0 HA SER A 18 0.548 25.137 -12.952 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.926 27.108 -13.349 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.620 26.787 -11.654 1.00 0.00 H new ATOM 0 HG SER A 18 -0.408 29.041 -12.173 1.00 0.00 H new ATOM 264 N LYS A 19 2.494 27.300 -14.426 1.00 0.00 N ATOM 265 CA LYS A 19 3.082 27.686 -15.698 1.00 0.00 C ATOM 266 C LYS A 19 3.852 26.498 -16.280 1.00 0.00 C ATOM 267 O LYS A 19 3.827 26.271 -17.488 1.00 0.00 O ATOM 268 CB LYS A 19 3.931 28.948 -15.534 1.00 0.00 C ATOM 269 CG LYS A 19 4.926 28.794 -14.383 1.00 0.00 C ATOM 270 CD LYS A 19 6.115 29.741 -14.554 1.00 0.00 C ATOM 271 CE LYS A 19 6.934 29.374 -15.793 1.00 0.00 C ATOM 272 NZ LYS A 19 8.381 29.522 -15.519 1.00 0.00 N ATOM 0 H LYS A 19 2.928 27.727 -13.608 1.00 0.00 H new ATOM 0 HA LYS A 19 2.303 27.944 -16.416 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.469 29.151 -16.460 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.283 29.805 -15.347 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.427 28.999 -13.436 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.280 27.764 -14.340 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.758 30.767 -14.641 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.749 29.698 -13.669 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.717 28.348 -16.089 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.648 30.014 -16.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.923 29.269 -16.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.586 30.508 -15.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.652 28.893 -14.736 1.00 0.00 H new ATOM 286 N SER A 20 4.516 25.772 -15.392 1.00 0.00 N ATOM 287 CA SER A 20 5.291 24.614 -15.803 1.00 0.00 C ATOM 288 C SER A 20 5.122 23.484 -14.785 1.00 0.00 C ATOM 289 O SER A 20 5.726 23.512 -13.715 1.00 0.00 O ATOM 290 CB SER A 20 6.771 24.970 -15.960 1.00 0.00 C ATOM 291 OG SER A 20 7.200 24.879 -17.316 1.00 0.00 O ATOM 0 H SER A 20 4.533 25.963 -14.390 1.00 0.00 H new ATOM 0 HA SER A 20 4.921 24.280 -16.772 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.942 25.982 -15.593 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.372 24.302 -15.344 1.00 0.00 H new ATOM 0 HG SER A 20 8.149 25.115 -17.375 1.00 0.00 H new ATOM 297 N THR A 21 4.296 22.516 -15.156 1.00 0.00 N ATOM 298 CA THR A 21 4.039 21.379 -14.290 1.00 0.00 C ATOM 299 C THR A 21 3.967 20.089 -15.110 1.00 0.00 C ATOM 300 O THR A 21 3.097 19.942 -15.967 1.00 0.00 O ATOM 301 CB THR A 21 2.762 21.667 -13.496 1.00 0.00 C ATOM 302 OG1 THR A 21 3.191 22.537 -12.453 1.00 0.00 O ATOM 303 CG2 THR A 21 2.239 20.432 -12.761 1.00 0.00 C ATOM 0 H THR A 21 3.796 22.496 -16.045 1.00 0.00 H new ATOM 0 HA THR A 21 4.853 21.231 -13.581 1.00 0.00 H new ATOM 0 HB THR A 21 1.991 22.041 -14.170 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.690 23.288 -12.838 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.333 20.691 -12.214 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.015 19.647 -13.483 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.996 20.077 -12.062 1.00 0.00 H new ATOM 311 N TRP A 22 4.892 19.187 -14.816 1.00 0.00 N ATOM 312 CA TRP A 22 4.945 17.914 -15.517 1.00 0.00 C ATOM 313 C TRP A 22 4.889 16.798 -14.471 1.00 0.00 C ATOM 314 O TRP A 22 4.841 17.068 -13.272 1.00 0.00 O ATOM 315 CB TRP A 22 6.182 17.832 -16.413 1.00 0.00 C ATOM 316 CG TRP A 22 6.604 19.174 -17.015 1.00 0.00 C ATOM 317 CD1 TRP A 22 5.818 20.162 -17.461 1.00 0.00 C ATOM 318 CD2 TRP A 22 7.956 19.638 -17.217 1.00 0.00 C ATOM 319 NE1 TRP A 22 6.561 21.225 -17.936 1.00 0.00 N ATOM 320 CE2 TRP A 22 7.902 20.895 -17.782 1.00 0.00 C ATOM 321 CE3 TRP A 22 9.184 19.016 -16.932 1.00 0.00 C ATOM 322 CZ2 TRP A 22 9.043 21.638 -18.110 1.00 0.00 C ATOM 323 CZ3 TRP A 22 10.315 19.770 -17.266 1.00 0.00 C ATOM 324 CH2 TRP A 22 10.277 21.037 -17.835 1.00 0.00 C ATOM 0 H TRP A 22 5.610 19.312 -14.103 1.00 0.00 H new ATOM 0 HA TRP A 22 4.093 17.807 -16.188 1.00 0.00 H new ATOM 0 HB2 TRP A 22 7.012 17.428 -15.833 1.00 0.00 H new ATOM 0 HB3 TRP A 22 5.986 17.128 -17.222 1.00 0.00 H new ATOM 0 HD1 TRP A 22 4.738 20.132 -17.451 1.00 0.00 H new ATOM 0 HE1 TRP A 22 6.193 22.092 -18.328 1.00 0.00 H new ATOM 0 HE3 TRP A 22 9.250 18.033 -16.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 8.975 22.621 -18.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 11.284 19.337 -17.068 1.00 0.00 H new ATOM 0 HH2 TRP A 22 11.196 21.556 -18.064 1.00 0.00 H new ATOM 335 N VAL A 23 4.897 15.569 -14.966 1.00 0.00 N ATOM 336 CA VAL A 23 4.848 14.411 -14.089 1.00 0.00 C ATOM 337 C VAL A 23 5.507 13.220 -14.788 1.00 0.00 C ATOM 338 O VAL A 23 4.975 12.695 -15.763 1.00 0.00 O ATOM 339 CB VAL A 23 3.402 14.133 -13.670 1.00 0.00 C ATOM 340 CG1 VAL A 23 2.923 15.157 -12.641 1.00 0.00 C ATOM 341 CG2 VAL A 23 2.475 14.103 -14.887 1.00 0.00 C ATOM 0 H VAL A 23 4.937 15.350 -15.961 1.00 0.00 H new ATOM 0 HA VAL A 23 5.407 14.601 -13.173 1.00 0.00 H new ATOM 0 HB VAL A 23 3.372 13.149 -13.202 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.893 14.937 -12.361 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.558 15.109 -11.757 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.976 16.157 -13.071 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.454 13.904 -14.562 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.512 15.066 -15.397 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.798 13.318 -15.571 1.00 0.00 H new ATOM 351 N ILE A 24 6.658 12.829 -14.260 1.00 0.00 N ATOM 352 CA ILE A 24 7.397 11.710 -14.820 1.00 0.00 C ATOM 353 C ILE A 24 6.563 10.435 -14.684 1.00 0.00 C ATOM 354 O ILE A 24 6.477 9.858 -13.601 1.00 0.00 O ATOM 355 CB ILE A 24 8.784 11.610 -14.182 1.00 0.00 C ATOM 356 CG1 ILE A 24 8.682 11.190 -12.713 1.00 0.00 C ATOM 357 CG2 ILE A 24 9.561 12.917 -14.351 1.00 0.00 C ATOM 358 CD1 ILE A 24 9.192 9.761 -12.516 1.00 0.00 C ATOM 0 H ILE A 24 7.097 13.267 -13.450 1.00 0.00 H new ATOM 0 HA ILE A 24 7.573 11.864 -15.885 1.00 0.00 H new ATOM 0 HB ILE A 24 9.344 10.833 -14.702 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.261 11.875 -12.094 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.646 11.259 -12.382 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.543 12.819 -13.889 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.680 13.135 -15.412 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.014 13.730 -13.873 1.00 0.00 H new ATOM 0 HD11 ILE A 24 9.109 9.487 -11.464 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.595 9.076 -13.118 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.236 9.701 -12.825 1.00 0.00 H new ATOM 370 N LEU A 25 5.970 10.032 -15.797 1.00 0.00 N ATOM 371 CA LEU A 25 5.146 8.835 -15.817 1.00 0.00 C ATOM 372 C LEU A 25 5.524 7.978 -17.026 1.00 0.00 C ATOM 373 O LEU A 25 5.637 8.488 -18.140 1.00 0.00 O ATOM 374 CB LEU A 25 3.662 9.206 -15.765 1.00 0.00 C ATOM 375 CG LEU A 25 3.080 9.820 -17.040 1.00 0.00 C ATOM 376 CD1 LEU A 25 2.434 8.747 -17.919 1.00 0.00 C ATOM 377 CD2 LEU A 25 2.106 10.952 -16.708 1.00 0.00 C ATOM 0 H LEU A 25 6.043 10.513 -16.693 1.00 0.00 H new ATOM 0 HA LEU A 25 5.332 8.231 -14.929 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.092 8.309 -15.524 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.512 9.909 -14.945 1.00 0.00 H new ATOM 0 HG LEU A 25 3.898 10.257 -17.613 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.028 9.210 -18.819 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.183 8.006 -18.198 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.630 8.260 -17.367 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.707 11.371 -17.632 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.288 10.562 -16.103 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.629 11.731 -16.153 1.00 0.00 H new ATOM 389 N HIS A 26 5.711 6.693 -16.766 1.00 0.00 N ATOM 390 CA HIS A 26 6.075 5.761 -17.819 1.00 0.00 C ATOM 391 C HIS A 26 7.508 6.038 -18.276 1.00 0.00 C ATOM 392 O HIS A 26 7.852 5.798 -19.433 1.00 0.00 O ATOM 393 CB HIS A 26 5.065 5.818 -18.968 1.00 0.00 C ATOM 394 CG HIS A 26 4.225 4.571 -19.110 1.00 0.00 C ATOM 395 ND1 HIS A 26 2.884 4.606 -19.451 1.00 0.00 N ATOM 396 CD2 HIS A 26 4.548 3.256 -18.952 1.00 0.00 C ATOM 397 CE1 HIS A 26 2.432 3.361 -19.495 1.00 0.00 C ATOM 398 NE2 HIS A 26 3.465 2.526 -19.184 1.00 0.00 N ATOM 0 H HIS A 26 5.617 6.275 -15.840 1.00 0.00 H new ATOM 0 HA HIS A 26 6.043 4.742 -17.434 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.406 6.673 -18.816 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.601 5.991 -19.901 1.00 0.00 H new ATOM 0 HD2 HIS A 26 5.521 2.873 -18.683 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.423 3.060 -19.735 1.00 0.00 H new ATOM 0 HE2 HIS A 26 3.413 1.508 -19.138 1.00 0.00 H new ATOM 406 N HIS A 27 8.306 6.539 -17.345 1.00 0.00 N ATOM 407 CA HIS A 27 9.695 6.851 -17.638 1.00 0.00 C ATOM 408 C HIS A 27 9.763 8.063 -18.568 1.00 0.00 C ATOM 409 O HIS A 27 10.840 8.431 -19.035 1.00 0.00 O ATOM 410 CB HIS A 27 10.419 5.627 -18.203 1.00 0.00 C ATOM 411 CG HIS A 27 10.566 5.641 -19.706 1.00 0.00 C ATOM 412 ND1 HIS A 27 11.484 6.443 -20.361 1.00 0.00 N ATOM 413 CD2 HIS A 27 9.905 4.943 -20.673 1.00 0.00 C ATOM 414 CE1 HIS A 27 11.370 6.230 -21.664 1.00 0.00 C ATOM 415 NE2 HIS A 27 10.391 5.301 -21.855 1.00 0.00 N ATOM 0 H HIS A 27 8.017 6.737 -16.387 1.00 0.00 H new ATOM 0 HA HIS A 27 10.215 7.115 -16.717 1.00 0.00 H new ATOM 0 HB2 HIS A 27 11.409 5.563 -17.752 1.00 0.00 H new ATOM 0 HB3 HIS A 27 9.876 4.729 -17.909 1.00 0.00 H new ATOM 0 HD1 HIS A 27 12.137 7.088 -19.917 1.00 0.00 H new ATOM 0 HD2 HIS A 27 9.119 4.221 -20.505 1.00 0.00 H new ATOM 0 HE1 HIS A 27 11.951 6.709 -22.439 1.00 0.00 H new ATOM 423 N LYS A 28 8.601 8.650 -18.810 1.00 0.00 N ATOM 424 CA LYS A 28 8.515 9.813 -19.676 1.00 0.00 C ATOM 425 C LYS A 28 7.630 10.871 -19.016 1.00 0.00 C ATOM 426 O LYS A 28 6.473 10.606 -18.694 1.00 0.00 O ATOM 427 CB LYS A 28 8.047 9.406 -21.075 1.00 0.00 C ATOM 428 CG LYS A 28 7.004 8.289 -21.002 1.00 0.00 C ATOM 429 CD LYS A 28 7.517 7.013 -21.671 1.00 0.00 C ATOM 430 CE LYS A 28 7.599 7.185 -23.189 1.00 0.00 C ATOM 431 NZ LYS A 28 7.879 5.887 -23.843 1.00 0.00 N ATOM 0 H LYS A 28 7.710 8.342 -18.421 1.00 0.00 H new ATOM 0 HA LYS A 28 9.500 10.260 -19.812 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.624 10.271 -21.586 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.901 9.073 -21.665 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.759 8.084 -19.960 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.084 8.614 -21.488 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.501 6.762 -21.276 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.855 6.181 -21.431 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.662 7.594 -23.566 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.382 7.901 -23.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.099 6.045 -24.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.690 5.432 -23.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.045 5.271 -23.764 1.00 0.00 H new ATOM 445 N VAL A 29 8.208 12.050 -18.833 1.00 0.00 N ATOM 446 CA VAL A 29 7.485 13.150 -18.217 1.00 0.00 C ATOM 447 C VAL A 29 6.585 13.812 -19.261 1.00 0.00 C ATOM 448 O VAL A 29 6.949 13.902 -20.433 1.00 0.00 O ATOM 449 CB VAL A 29 8.472 14.127 -17.573 1.00 0.00 C ATOM 450 CG1 VAL A 29 9.599 14.489 -18.542 1.00 0.00 C ATOM 451 CG2 VAL A 29 7.752 15.382 -17.074 1.00 0.00 C ATOM 0 H VAL A 29 9.168 12.267 -19.100 1.00 0.00 H new ATOM 0 HA VAL A 29 6.840 12.784 -17.418 1.00 0.00 H new ATOM 0 HB VAL A 29 8.920 13.632 -16.711 1.00 0.00 H new ATOM 0 HG11 VAL A 29 10.285 15.184 -18.058 1.00 0.00 H new ATOM 0 HG12 VAL A 29 10.138 13.586 -18.827 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.177 14.956 -19.432 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.475 16.060 -16.621 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.264 15.879 -17.912 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.003 15.102 -16.333 1.00 0.00 H new ATOM 461 N TYR A 30 5.426 14.258 -18.799 1.00 0.00 N ATOM 462 CA TYR A 30 4.470 14.908 -19.679 1.00 0.00 C ATOM 463 C TYR A 30 4.194 16.342 -19.223 1.00 0.00 C ATOM 464 O TYR A 30 3.972 16.589 -18.038 1.00 0.00 O ATOM 465 CB TYR A 30 3.179 14.095 -19.575 1.00 0.00 C ATOM 466 CG TYR A 30 3.248 12.729 -20.261 1.00 0.00 C ATOM 467 CD1 TYR A 30 4.232 11.828 -19.909 1.00 0.00 C ATOM 468 CD2 TYR A 30 2.325 12.398 -21.233 1.00 0.00 C ATOM 469 CE1 TYR A 30 4.297 10.542 -20.554 1.00 0.00 C ATOM 470 CE2 TYR A 30 2.390 11.112 -21.878 1.00 0.00 C ATOM 471 CZ TYR A 30 3.372 10.247 -21.507 1.00 0.00 C ATOM 472 OH TYR A 30 3.433 9.034 -22.117 1.00 0.00 O ATOM 0 H TYR A 30 5.127 14.182 -17.827 1.00 0.00 H new ATOM 0 HA TYR A 30 4.854 14.952 -20.698 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.937 13.950 -18.522 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.363 14.670 -20.013 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.954 12.087 -19.149 1.00 0.00 H new ATOM 0 HD2 TYR A 30 1.555 13.103 -21.509 1.00 0.00 H new ATOM 0 HE1 TYR A 30 5.062 9.828 -20.287 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.674 10.840 -22.640 1.00 0.00 H new ATOM 0 HH TYR A 30 2.710 8.962 -22.774 1.00 0.00 H new ATOM 482 N ASP A 31 4.215 17.251 -20.187 1.00 0.00 N ATOM 483 CA ASP A 31 3.968 18.654 -19.900 1.00 0.00 C ATOM 484 C ASP A 31 2.477 18.951 -20.070 1.00 0.00 C ATOM 485 O ASP A 31 2.058 19.475 -21.100 1.00 0.00 O ATOM 486 CB ASP A 31 4.743 19.557 -20.860 1.00 0.00 C ATOM 487 CG ASP A 31 4.360 21.037 -20.806 1.00 0.00 C ATOM 488 OD1 ASP A 31 4.166 21.533 -19.676 1.00 0.00 O ATOM 489 OD2 ASP A 31 4.269 21.640 -21.898 1.00 0.00 O ATOM 0 H ASP A 31 4.399 17.043 -21.168 1.00 0.00 H new ATOM 0 HA ASP A 31 4.293 18.851 -18.878 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.807 19.464 -20.643 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.592 19.195 -21.877 1.00 0.00 H new ATOM 494 N LEU A 32 1.716 18.602 -19.043 1.00 0.00 N ATOM 495 CA LEU A 32 0.281 18.825 -19.066 1.00 0.00 C ATOM 496 C LEU A 32 -0.024 20.218 -18.512 1.00 0.00 C ATOM 497 O LEU A 32 -1.170 20.522 -18.183 1.00 0.00 O ATOM 498 CB LEU A 32 -0.448 17.698 -18.330 1.00 0.00 C ATOM 499 CG LEU A 32 0.341 17.000 -17.221 1.00 0.00 C ATOM 500 CD1 LEU A 32 -0.597 16.441 -16.150 1.00 0.00 C ATOM 501 CD2 LEU A 32 1.261 15.923 -17.797 1.00 0.00 C ATOM 0 H LEU A 32 2.066 18.166 -18.190 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.092 18.800 -20.090 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.362 18.105 -17.897 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.749 16.948 -19.062 1.00 0.00 H new ATOM 0 HG LEU A 32 0.978 17.740 -16.736 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.011 15.950 -15.373 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.173 17.255 -15.710 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.277 15.719 -16.603 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.810 15.443 -16.987 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.664 15.178 -18.323 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.965 16.380 -18.492 1.00 0.00 H new ATOM 513 N THR A 33 1.021 21.027 -18.425 1.00 0.00 N ATOM 514 CA THR A 33 0.880 22.381 -17.916 1.00 0.00 C ATOM 515 C THR A 33 -0.003 23.211 -18.850 1.00 0.00 C ATOM 516 O THR A 33 -0.490 24.274 -18.467 1.00 0.00 O ATOM 517 CB THR A 33 2.282 22.963 -17.728 1.00 0.00 C ATOM 518 OG1 THR A 33 2.219 23.620 -16.464 1.00 0.00 O ATOM 519 CG2 THR A 33 2.586 24.090 -18.717 1.00 0.00 C ATOM 0 H THR A 33 1.970 20.771 -18.699 1.00 0.00 H new ATOM 0 HA THR A 33 0.376 22.391 -16.949 1.00 0.00 H new ATOM 0 HB THR A 33 3.021 22.170 -17.842 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.699 24.446 -16.550 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.593 24.467 -18.540 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.515 23.709 -19.736 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.867 24.898 -18.581 1.00 0.00 H new ATOM 527 N LYS A 34 -0.182 22.696 -20.057 1.00 0.00 N ATOM 528 CA LYS A 34 -0.998 23.377 -21.048 1.00 0.00 C ATOM 529 C LYS A 34 -2.447 22.904 -20.920 1.00 0.00 C ATOM 530 O LYS A 34 -3.363 23.719 -20.822 1.00 0.00 O ATOM 531 CB LYS A 34 -0.410 23.188 -22.447 1.00 0.00 C ATOM 532 CG LYS A 34 -1.068 24.136 -23.452 1.00 0.00 C ATOM 533 CD LYS A 34 -0.093 25.230 -23.892 1.00 0.00 C ATOM 534 CE LYS A 34 -0.442 25.745 -25.289 1.00 0.00 C ATOM 535 NZ LYS A 34 -1.375 26.890 -25.202 1.00 0.00 N ATOM 0 H LYS A 34 0.224 21.815 -20.372 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.996 24.452 -20.870 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.665 23.369 -22.421 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.552 22.156 -22.768 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.405 23.573 -24.322 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.952 24.590 -23.004 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.120 26.054 -23.179 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.924 24.839 -23.888 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.467 26.048 -25.809 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.893 24.945 -25.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.601 27.227 -26.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.249 26.590 -24.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.931 27.659 -24.660 1.00 0.00 H new ATOM 549 N PHE A 35 -2.611 21.589 -20.928 1.00 0.00 N ATOM 550 CA PHE A 35 -3.933 20.998 -20.814 1.00 0.00 C ATOM 551 C PHE A 35 -4.325 20.808 -19.348 1.00 0.00 C ATOM 552 O PHE A 35 -5.307 20.132 -19.047 1.00 0.00 O ATOM 553 CB PHE A 35 -3.871 19.630 -21.496 1.00 0.00 C ATOM 554 CG PHE A 35 -4.191 18.457 -20.567 1.00 0.00 C ATOM 555 CD1 PHE A 35 -3.307 18.095 -19.599 1.00 0.00 C ATOM 556 CD2 PHE A 35 -5.361 17.778 -20.707 1.00 0.00 C ATOM 557 CE1 PHE A 35 -3.604 17.007 -18.737 1.00 0.00 C ATOM 558 CE2 PHE A 35 -5.658 16.689 -19.845 1.00 0.00 C ATOM 559 CZ PHE A 35 -4.773 16.327 -18.878 1.00 0.00 C ATOM 0 H PHE A 35 -1.849 20.916 -21.012 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.673 21.650 -21.277 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.571 19.620 -22.332 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -2.874 19.488 -21.913 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.379 18.635 -19.486 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -6.064 18.067 -21.474 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.901 16.719 -17.969 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.586 16.149 -19.957 1.00 0.00 H new ATOM 0 HZ PHE A 35 -4.999 15.499 -18.222 1.00 0.00 H new ATOM 569 N LEU A 36 -3.536 21.416 -18.474 1.00 0.00 N ATOM 570 CA LEU A 36 -3.788 21.321 -17.046 1.00 0.00 C ATOM 571 C LEU A 36 -5.153 21.936 -16.732 1.00 0.00 C ATOM 572 O LEU A 36 -5.846 21.484 -15.822 1.00 0.00 O ATOM 573 CB LEU A 36 -2.635 21.946 -16.257 1.00 0.00 C ATOM 574 CG LEU A 36 -2.072 21.103 -15.111 1.00 0.00 C ATOM 575 CD1 LEU A 36 -0.546 21.021 -15.190 1.00 0.00 C ATOM 576 CD2 LEU A 36 -2.549 21.629 -13.756 1.00 0.00 C ATOM 0 H LEU A 36 -2.722 21.976 -18.727 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.829 20.277 -16.734 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.824 22.168 -16.951 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.974 22.898 -15.849 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.455 20.088 -15.214 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.171 20.416 -14.364 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.255 20.564 -16.136 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.124 22.024 -15.126 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.134 21.011 -12.959 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.216 22.659 -13.628 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.638 21.592 -13.714 1.00 0.00 H new ATOM 588 N GLU A 37 -5.499 22.956 -17.503 1.00 0.00 N ATOM 589 CA GLU A 37 -6.769 23.637 -17.319 1.00 0.00 C ATOM 590 C GLU A 37 -7.880 22.900 -18.069 1.00 0.00 C ATOM 591 O GLU A 37 -9.059 23.062 -17.756 1.00 0.00 O ATOM 592 CB GLU A 37 -6.679 25.096 -17.767 1.00 0.00 C ATOM 593 CG GLU A 37 -7.753 25.948 -17.086 1.00 0.00 C ATOM 594 CD GLU A 37 -8.314 26.997 -18.047 1.00 0.00 C ATOM 595 OE1 GLU A 37 -8.396 26.675 -19.253 1.00 0.00 O ATOM 596 OE2 GLU A 37 -8.649 28.095 -17.555 1.00 0.00 O ATOM 0 H GLU A 37 -4.921 23.328 -18.257 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.011 23.633 -16.256 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.692 25.492 -17.530 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -6.795 25.155 -18.849 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.560 25.307 -16.731 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.330 26.441 -16.211 1.00 0.00 H new ATOM 603 N GLU A 38 -7.466 22.105 -19.044 1.00 0.00 N ATOM 604 CA GLU A 38 -8.411 21.343 -19.842 1.00 0.00 C ATOM 605 C GLU A 38 -8.752 20.025 -19.144 1.00 0.00 C ATOM 606 O GLU A 38 -9.826 19.464 -19.359 1.00 0.00 O ATOM 607 CB GLU A 38 -7.866 21.093 -21.249 1.00 0.00 C ATOM 608 CG GLU A 38 -8.404 22.129 -22.238 1.00 0.00 C ATOM 609 CD GLU A 38 -9.831 21.785 -22.669 1.00 0.00 C ATOM 610 OE1 GLU A 38 -9.998 20.697 -23.263 1.00 0.00 O ATOM 611 OE2 GLU A 38 -10.724 22.616 -22.397 1.00 0.00 O ATOM 0 H GLU A 38 -6.488 21.972 -19.300 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.326 21.927 -19.942 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.777 21.132 -21.233 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.145 20.092 -21.578 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.387 23.118 -21.780 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.756 22.172 -23.114 1.00 0.00 H new ATOM 618 N HIS A 39 -7.818 19.568 -18.323 1.00 0.00 N ATOM 619 CA HIS A 39 -8.006 18.326 -17.592 1.00 0.00 C ATOM 620 C HIS A 39 -9.179 18.475 -16.621 1.00 0.00 C ATOM 621 O HIS A 39 -9.275 19.469 -15.903 1.00 0.00 O ATOM 622 CB HIS A 39 -6.710 17.904 -16.896 1.00 0.00 C ATOM 623 CG HIS A 39 -6.771 16.533 -16.266 1.00 0.00 C ATOM 624 ND1 HIS A 39 -6.738 16.334 -14.897 1.00 0.00 N ATOM 625 CD2 HIS A 39 -6.864 15.295 -16.833 1.00 0.00 C ATOM 626 CE1 HIS A 39 -6.806 15.032 -14.661 1.00 0.00 C ATOM 627 NE2 HIS A 39 -6.884 14.390 -15.862 1.00 0.00 N ATOM 0 H HIS A 39 -6.929 20.036 -18.148 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.254 17.524 -18.287 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.897 17.924 -17.621 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -6.468 18.636 -16.126 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -6.672 17.066 -14.189 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.913 15.087 -17.892 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.801 14.562 -13.689 1.00 0.00 H new ATOM 635 N PRO A 40 -10.067 17.444 -16.631 1.00 0.00 N ATOM 636 CA PRO A 40 -11.230 17.450 -15.760 1.00 0.00 C ATOM 637 C PRO A 40 -10.834 17.142 -14.315 1.00 0.00 C ATOM 638 O PRO A 40 -11.619 17.359 -13.392 1.00 0.00 O ATOM 639 CB PRO A 40 -12.170 16.414 -16.352 1.00 0.00 C ATOM 640 CG PRO A 40 -11.313 15.539 -17.253 1.00 0.00 C ATOM 641 CD PRO A 40 -9.987 16.251 -17.467 1.00 0.00 C ATOM 0 HA PRO A 40 -11.714 18.425 -15.711 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.643 15.822 -15.568 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.970 16.891 -16.918 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -11.153 14.562 -16.797 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.813 15.367 -18.206 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -9.147 15.620 -17.176 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -9.842 16.511 -18.515 1.00 0.00 H new ATOM 649 N GLY A 41 -9.618 16.641 -14.162 1.00 0.00 N ATOM 650 CA GLY A 41 -9.109 16.300 -12.844 1.00 0.00 C ATOM 651 C GLY A 41 -9.119 17.520 -11.920 1.00 0.00 C ATOM 652 O GLY A 41 -10.008 17.660 -11.081 1.00 0.00 O ATOM 0 H GLY A 41 -8.970 16.463 -14.929 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.716 15.506 -12.410 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.094 15.914 -12.931 1.00 0.00 H new ATOM 656 N GLY A 42 -8.121 18.371 -12.105 1.00 0.00 N ATOM 657 CA GLY A 42 -8.004 19.574 -11.299 1.00 0.00 C ATOM 658 C GLY A 42 -6.862 20.460 -11.798 1.00 0.00 C ATOM 659 O GLY A 42 -6.379 20.286 -12.916 1.00 0.00 O ATOM 0 H GLY A 42 -7.386 18.251 -12.802 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.941 20.130 -11.331 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.830 19.303 -10.258 1.00 0.00 H new ATOM 663 N GLU A 43 -6.463 21.392 -10.945 1.00 0.00 N ATOM 664 CA GLU A 43 -5.386 22.307 -11.286 1.00 0.00 C ATOM 665 C GLU A 43 -4.246 22.185 -10.273 1.00 0.00 C ATOM 666 O GLU A 43 -3.136 22.655 -10.523 1.00 0.00 O ATOM 667 CB GLU A 43 -5.895 23.747 -11.368 1.00 0.00 C ATOM 668 CG GLU A 43 -4.751 24.744 -11.172 1.00 0.00 C ATOM 669 CD GLU A 43 -5.275 26.182 -11.152 1.00 0.00 C ATOM 670 OE1 GLU A 43 -5.680 26.623 -10.055 1.00 0.00 O ATOM 671 OE2 GLU A 43 -5.258 26.807 -12.234 1.00 0.00 O ATOM 0 H GLU A 43 -6.866 21.534 -10.019 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.003 22.036 -12.270 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.367 23.915 -12.336 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -6.659 23.910 -10.608 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.232 24.529 -10.238 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.022 24.630 -11.975 1.00 0.00 H new ATOM 678 N GLU A 44 -4.557 21.550 -9.153 1.00 0.00 N ATOM 679 CA GLU A 44 -3.572 21.361 -8.101 1.00 0.00 C ATOM 680 C GLU A 44 -3.276 19.871 -7.914 1.00 0.00 C ATOM 681 O GLU A 44 -2.183 19.501 -7.488 1.00 0.00 O ATOM 682 CB GLU A 44 -4.040 21.995 -6.790 1.00 0.00 C ATOM 683 CG GLU A 44 -5.378 21.404 -6.341 1.00 0.00 C ATOM 684 CD GLU A 44 -6.523 22.388 -6.589 1.00 0.00 C ATOM 685 OE1 GLU A 44 -6.797 22.651 -7.780 1.00 0.00 O ATOM 686 OE2 GLU A 44 -7.100 22.853 -5.582 1.00 0.00 O ATOM 0 H GLU A 44 -5.477 21.160 -8.951 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.651 21.861 -8.399 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.290 21.834 -6.016 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.139 23.073 -6.918 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.569 20.476 -6.879 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.332 21.154 -5.281 1.00 0.00 H new ATOM 693 N VAL A 45 -4.268 19.057 -8.243 1.00 0.00 N ATOM 694 CA VAL A 45 -4.128 17.616 -8.117 1.00 0.00 C ATOM 695 C VAL A 45 -3.168 17.106 -9.193 1.00 0.00 C ATOM 696 O VAL A 45 -2.467 16.116 -8.987 1.00 0.00 O ATOM 697 CB VAL A 45 -5.503 16.950 -8.176 1.00 0.00 C ATOM 698 CG1 VAL A 45 -6.491 17.800 -8.977 1.00 0.00 C ATOM 699 CG2 VAL A 45 -5.403 15.537 -8.756 1.00 0.00 C ATOM 0 H VAL A 45 -5.173 19.368 -8.597 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.698 17.356 -7.150 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.879 16.870 -7.156 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.461 17.303 -9.003 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.596 18.777 -8.505 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.121 17.927 -9.994 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.395 15.085 -8.787 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.995 15.586 -9.766 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.748 14.932 -8.129 1.00 0.00 H new ATOM 709 N LEU A 46 -3.167 17.804 -10.319 1.00 0.00 N ATOM 710 CA LEU A 46 -2.305 17.433 -11.429 1.00 0.00 C ATOM 711 C LEU A 46 -0.857 17.794 -11.087 1.00 0.00 C ATOM 712 O LEU A 46 0.056 17.005 -11.326 1.00 0.00 O ATOM 713 CB LEU A 46 -2.804 18.064 -12.729 1.00 0.00 C ATOM 714 CG LEU A 46 -4.323 18.176 -12.881 1.00 0.00 C ATOM 715 CD1 LEU A 46 -4.701 18.642 -14.288 1.00 0.00 C ATOM 716 CD2 LEU A 46 -5.009 16.860 -12.509 1.00 0.00 C ATOM 0 H LEU A 46 -3.749 18.624 -10.487 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.336 16.356 -11.592 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.376 19.063 -12.812 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.417 17.481 -13.565 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.681 18.934 -12.185 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.786 18.713 -14.369 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.258 19.620 -14.479 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.329 17.926 -15.021 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.088 16.966 -12.626 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.650 16.065 -13.163 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.779 16.610 -11.473 1.00 0.00 H new ATOM 728 N ARG A 47 -0.694 18.986 -10.533 1.00 0.00 N ATOM 729 CA ARG A 47 0.627 19.461 -10.156 1.00 0.00 C ATOM 730 C ARG A 47 1.026 18.893 -8.792 1.00 0.00 C ATOM 731 O ARG A 47 2.209 18.834 -8.463 1.00 0.00 O ATOM 732 CB ARG A 47 0.666 20.989 -10.095 1.00 0.00 C ATOM 733 CG ARG A 47 -0.536 21.538 -9.323 1.00 0.00 C ATOM 734 CD ARG A 47 -0.275 22.970 -8.850 1.00 0.00 C ATOM 735 NE ARG A 47 0.629 22.959 -7.679 1.00 0.00 N ATOM 736 CZ ARG A 47 0.738 23.968 -6.804 1.00 0.00 C ATOM 737 NH1 ARG A 47 0.000 25.075 -6.963 1.00 0.00 N ATOM 738 NH2 ARG A 47 1.585 23.870 -5.769 1.00 0.00 N ATOM 0 H ARG A 47 -1.454 19.637 -10.336 1.00 0.00 H new ATOM 0 HA ARG A 47 1.331 19.121 -10.915 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.590 21.314 -9.616 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.671 21.397 -11.106 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.422 21.516 -9.958 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.744 20.900 -8.464 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.169 23.553 -9.657 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.217 23.453 -8.588 1.00 0.00 H new ATOM 0 HE ARG A 47 1.206 22.131 -7.528 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.645 25.150 -7.750 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.083 25.843 -6.297 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.147 23.027 -5.648 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.668 24.638 -5.103 1.00 0.00 H new ATOM 752 N GLU A 48 0.016 18.488 -8.037 1.00 0.00 N ATOM 753 CA GLU A 48 0.247 17.927 -6.716 1.00 0.00 C ATOM 754 C GLU A 48 1.399 16.922 -6.762 1.00 0.00 C ATOM 755 O GLU A 48 2.107 16.740 -5.773 1.00 0.00 O ATOM 756 CB GLU A 48 -1.025 17.278 -6.167 1.00 0.00 C ATOM 757 CG GLU A 48 -1.410 17.884 -4.816 1.00 0.00 C ATOM 758 CD GLU A 48 -1.630 19.394 -4.936 1.00 0.00 C ATOM 759 OE1 GLU A 48 -0.629 20.127 -4.782 1.00 0.00 O ATOM 760 OE2 GLU A 48 -2.795 19.780 -5.176 1.00 0.00 O ATOM 0 H GLU A 48 -0.964 18.537 -8.314 1.00 0.00 H new ATOM 0 HA GLU A 48 0.523 18.737 -6.041 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.842 17.413 -6.876 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.872 16.204 -6.058 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.318 17.409 -4.446 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.625 17.684 -4.087 1.00 0.00 H new ATOM 767 N GLN A 49 1.552 16.296 -7.919 1.00 0.00 N ATOM 768 CA GLN A 49 2.607 15.314 -8.106 1.00 0.00 C ATOM 769 C GLN A 49 3.561 15.765 -9.213 1.00 0.00 C ATOM 770 O GLN A 49 4.050 14.945 -9.989 1.00 0.00 O ATOM 771 CB GLN A 49 2.023 13.934 -8.414 1.00 0.00 C ATOM 772 CG GLN A 49 1.240 13.390 -7.218 1.00 0.00 C ATOM 773 CD GLN A 49 2.161 13.157 -6.019 1.00 0.00 C ATOM 774 OE1 GLN A 49 2.813 12.134 -5.894 1.00 0.00 O ATOM 775 NE2 GLN A 49 2.179 14.162 -5.147 1.00 0.00 N ATOM 0 H GLN A 49 0.963 16.450 -8.737 1.00 0.00 H new ATOM 0 HA GLN A 49 3.171 15.234 -7.177 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.368 13.998 -9.283 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.827 13.244 -8.671 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.452 14.092 -6.945 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.752 12.455 -7.493 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.608 14.991 -5.312 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.764 14.103 -4.313 1.00 0.00 H new ATOM 784 N ALA A 50 3.799 17.068 -9.251 1.00 0.00 N ATOM 785 CA ALA A 50 4.687 17.638 -10.251 1.00 0.00 C ATOM 786 C ALA A 50 6.067 17.868 -9.629 1.00 0.00 C ATOM 787 O ALA A 50 6.484 19.009 -9.440 1.00 0.00 O ATOM 788 CB ALA A 50 4.074 18.926 -10.803 1.00 0.00 C ATOM 0 H ALA A 50 3.393 17.745 -8.606 1.00 0.00 H new ATOM 0 HA ALA A 50 4.813 16.952 -11.089 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.740 19.354 -11.553 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.109 18.704 -11.259 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.936 19.640 -9.991 1.00 0.00 H new ATOM 794 N GLY A 51 6.736 16.765 -9.329 1.00 0.00 N ATOM 795 CA GLY A 51 8.060 16.832 -8.732 1.00 0.00 C ATOM 796 C GLY A 51 8.720 15.451 -8.704 1.00 0.00 C ATOM 797 O GLY A 51 9.919 15.328 -8.943 1.00 0.00 O ATOM 0 H GLY A 51 6.387 15.820 -9.488 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.683 17.525 -9.297 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.986 17.224 -7.718 1.00 0.00 H new ATOM 801 N GLY A 52 7.905 14.448 -8.409 1.00 0.00 N ATOM 802 CA GLY A 52 8.394 13.082 -8.346 1.00 0.00 C ATOM 803 C GLY A 52 7.705 12.204 -9.394 1.00 0.00 C ATOM 804 O GLY A 52 7.731 12.516 -10.583 1.00 0.00 O ATOM 0 H GLY A 52 6.910 14.555 -8.211 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.472 13.070 -8.508 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.217 12.674 -7.351 1.00 0.00 H new ATOM 808 N ASP A 53 7.106 11.125 -8.913 1.00 0.00 N ATOM 809 CA ASP A 53 6.412 10.200 -9.793 1.00 0.00 C ATOM 810 C ASP A 53 4.905 10.308 -9.552 1.00 0.00 C ATOM 811 O ASP A 53 4.423 9.996 -8.463 1.00 0.00 O ATOM 812 CB ASP A 53 6.832 8.755 -9.516 1.00 0.00 C ATOM 813 CG ASP A 53 6.318 8.173 -8.198 1.00 0.00 C ATOM 814 OD1 ASP A 53 6.477 8.866 -7.171 1.00 0.00 O ATOM 815 OD2 ASP A 53 5.776 7.048 -8.248 1.00 0.00 O ATOM 0 H ASP A 53 7.087 10.870 -7.925 1.00 0.00 H new ATOM 0 HA ASP A 53 6.666 10.458 -10.821 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.480 8.127 -10.335 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.921 8.702 -9.519 1.00 0.00 H new ATOM 820 N ALA A 54 4.202 10.750 -10.584 1.00 0.00 N ATOM 821 CA ALA A 54 2.759 10.903 -10.498 1.00 0.00 C ATOM 822 C ALA A 54 2.084 9.659 -11.079 1.00 0.00 C ATOM 823 O ALA A 54 0.894 9.437 -10.862 1.00 0.00 O ATOM 824 CB ALA A 54 2.338 12.186 -11.218 1.00 0.00 C ATOM 0 H ALA A 54 4.605 11.007 -11.485 1.00 0.00 H new ATOM 0 HA ALA A 54 2.443 10.994 -9.459 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.256 12.301 -11.154 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.822 13.042 -10.749 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.635 12.130 -12.265 1.00 0.00 H new ATOM 830 N THR A 55 2.873 8.881 -11.806 1.00 0.00 N ATOM 831 CA THR A 55 2.366 7.665 -12.419 1.00 0.00 C ATOM 832 C THR A 55 1.611 6.822 -11.389 1.00 0.00 C ATOM 833 O THR A 55 0.748 6.023 -11.747 1.00 0.00 O ATOM 834 CB THR A 55 3.546 6.930 -13.058 1.00 0.00 C ATOM 835 OG1 THR A 55 3.048 5.616 -13.296 1.00 0.00 O ATOM 836 CG2 THR A 55 4.703 6.718 -12.079 1.00 0.00 C ATOM 0 H THR A 55 3.860 9.069 -11.984 1.00 0.00 H new ATOM 0 HA THR A 55 1.642 7.890 -13.202 1.00 0.00 H new ATOM 0 HB THR A 55 3.900 7.493 -13.922 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.749 5.071 -13.711 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.514 6.192 -12.583 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.062 7.684 -11.725 1.00 0.00 H new ATOM 0 HG23 THR A 55 4.358 6.126 -11.231 1.00 0.00 H new ATOM 844 N GLU A 56 1.964 7.032 -10.128 1.00 0.00 N ATOM 845 CA GLU A 56 1.330 6.301 -9.044 1.00 0.00 C ATOM 846 C GLU A 56 -0.035 6.912 -8.718 1.00 0.00 C ATOM 847 O GLU A 56 -0.999 6.190 -8.471 1.00 0.00 O ATOM 848 CB GLU A 56 2.227 6.272 -7.805 1.00 0.00 C ATOM 849 CG GLU A 56 2.847 7.645 -7.545 1.00 0.00 C ATOM 850 CD GLU A 56 3.264 7.790 -6.079 1.00 0.00 C ATOM 851 OE1 GLU A 56 2.349 7.811 -5.228 1.00 0.00 O ATOM 852 OE2 GLU A 56 4.489 7.877 -5.844 1.00 0.00 O ATOM 0 H GLU A 56 2.680 7.697 -9.834 1.00 0.00 H new ATOM 0 HA GLU A 56 1.177 5.271 -9.367 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.645 5.962 -6.937 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.016 5.532 -7.940 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.715 7.784 -8.189 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.131 8.426 -7.802 1.00 0.00 H new ATOM 859 N ASN A 57 -0.072 8.236 -8.729 1.00 0.00 N ATOM 860 CA ASN A 57 -1.303 8.953 -8.438 1.00 0.00 C ATOM 861 C ASN A 57 -2.127 9.083 -9.719 1.00 0.00 C ATOM 862 O ASN A 57 -3.353 9.161 -9.668 1.00 0.00 O ATOM 863 CB ASN A 57 -1.009 10.362 -7.920 1.00 0.00 C ATOM 864 CG ASN A 57 -0.703 10.342 -6.420 1.00 0.00 C ATOM 865 OD1 ASN A 57 0.360 9.934 -5.984 1.00 0.00 O ATOM 866 ND2 ASN A 57 -1.691 10.805 -5.661 1.00 0.00 N ATOM 0 H ASN A 57 0.730 8.832 -8.935 1.00 0.00 H new ATOM 0 HA ASN A 57 -1.847 8.394 -7.676 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.162 10.783 -8.462 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -1.864 11.010 -8.112 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.585 10.834 -4.647 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.556 11.131 -6.093 1.00 0.00 H new ATOM 873 N PHE A 58 -1.421 9.101 -10.841 1.00 0.00 N ATOM 874 CA PHE A 58 -2.072 9.220 -12.134 1.00 0.00 C ATOM 875 C PHE A 58 -2.778 7.916 -12.514 1.00 0.00 C ATOM 876 O PHE A 58 -3.877 7.938 -13.068 1.00 0.00 O ATOM 877 CB PHE A 58 -0.978 9.512 -13.161 1.00 0.00 C ATOM 878 CG PHE A 58 -1.475 9.549 -14.608 1.00 0.00 C ATOM 879 CD1 PHE A 58 -2.682 10.104 -14.898 1.00 0.00 C ATOM 880 CD2 PHE A 58 -0.711 9.025 -15.603 1.00 0.00 C ATOM 881 CE1 PHE A 58 -3.144 10.139 -16.241 1.00 0.00 C ATOM 882 CE2 PHE A 58 -1.172 9.058 -16.946 1.00 0.00 C ATOM 883 CZ PHE A 58 -2.379 9.615 -17.236 1.00 0.00 C ATOM 0 H PHE A 58 -0.404 9.035 -10.880 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.821 10.012 -12.102 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.516 10.470 -12.922 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.201 8.753 -13.074 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.290 10.518 -14.107 1.00 0.00 H new ATOM 0 HD2 PHE A 58 0.247 8.583 -15.372 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.102 10.581 -16.472 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.565 8.641 -17.736 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.730 9.641 -18.257 1.00 0.00 H new ATOM 893 N GLU A 59 -2.116 6.811 -12.204 1.00 0.00 N ATOM 894 CA GLU A 59 -2.666 5.500 -12.506 1.00 0.00 C ATOM 895 C GLU A 59 -3.713 5.109 -11.461 1.00 0.00 C ATOM 896 O GLU A 59 -4.497 4.187 -11.678 1.00 0.00 O ATOM 897 CB GLU A 59 -1.558 4.448 -12.593 1.00 0.00 C ATOM 898 CG GLU A 59 -0.993 4.131 -11.207 1.00 0.00 C ATOM 899 CD GLU A 59 -1.939 3.218 -10.425 1.00 0.00 C ATOM 900 OE1 GLU A 59 -2.535 2.330 -11.073 1.00 0.00 O ATOM 901 OE2 GLU A 59 -2.045 3.428 -9.198 1.00 0.00 O ATOM 0 H GLU A 59 -1.204 6.796 -11.747 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.154 5.548 -13.479 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.951 3.538 -13.046 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.759 4.808 -13.241 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.020 3.651 -11.308 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.836 5.057 -10.654 1.00 0.00 H new ATOM 908 N ASP A 60 -3.691 5.831 -10.350 1.00 0.00 N ATOM 909 CA ASP A 60 -4.628 5.570 -9.270 1.00 0.00 C ATOM 910 C ASP A 60 -6.055 5.602 -9.821 1.00 0.00 C ATOM 911 O ASP A 60 -6.828 4.669 -9.607 1.00 0.00 O ATOM 912 CB ASP A 60 -4.519 6.635 -8.177 1.00 0.00 C ATOM 913 CG ASP A 60 -5.622 6.590 -7.118 1.00 0.00 C ATOM 914 OD1 ASP A 60 -6.776 6.895 -7.487 1.00 0.00 O ATOM 915 OD2 ASP A 60 -5.285 6.252 -5.962 1.00 0.00 O ATOM 0 H ASP A 60 -3.040 6.596 -10.174 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.392 4.594 -8.847 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.555 6.527 -7.680 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.527 7.618 -8.647 1.00 0.00 H new ATOM 920 N VAL A 61 -6.362 6.685 -10.520 1.00 0.00 N ATOM 921 CA VAL A 61 -7.682 6.850 -11.103 1.00 0.00 C ATOM 922 C VAL A 61 -7.863 5.842 -12.239 1.00 0.00 C ATOM 923 O VAL A 61 -8.984 5.592 -12.680 1.00 0.00 O ATOM 924 CB VAL A 61 -7.878 8.299 -11.552 1.00 0.00 C ATOM 925 CG1 VAL A 61 -6.582 8.875 -12.128 1.00 0.00 C ATOM 926 CG2 VAL A 61 -9.023 8.411 -12.561 1.00 0.00 C ATOM 0 H VAL A 61 -5.719 7.457 -10.696 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.455 6.646 -10.362 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.146 8.888 -10.675 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.749 9.906 -12.440 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.802 8.848 -11.367 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.271 8.282 -12.988 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -9.141 9.452 -12.864 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.798 7.802 -13.436 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.947 8.060 -12.103 1.00 0.00 H new ATOM 936 N GLY A 62 -6.743 5.290 -12.682 1.00 0.00 N ATOM 937 CA GLY A 62 -6.763 4.314 -13.758 1.00 0.00 C ATOM 938 C GLY A 62 -7.194 4.962 -15.076 1.00 0.00 C ATOM 939 O GLY A 62 -8.346 4.833 -15.488 1.00 0.00 O ATOM 0 H GLY A 62 -5.815 5.500 -12.315 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.773 3.872 -13.872 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.447 3.503 -13.506 1.00 0.00 H new ATOM 943 N HIS A 63 -6.246 5.644 -15.701 1.00 0.00 N ATOM 944 CA HIS A 63 -6.514 6.312 -16.964 1.00 0.00 C ATOM 945 C HIS A 63 -6.593 5.274 -18.085 1.00 0.00 C ATOM 946 O HIS A 63 -5.812 4.324 -18.114 1.00 0.00 O ATOM 947 CB HIS A 63 -5.472 7.399 -17.234 1.00 0.00 C ATOM 948 CG HIS A 63 -5.661 8.650 -16.410 1.00 0.00 C ATOM 949 ND1 HIS A 63 -5.146 8.793 -15.134 1.00 0.00 N ATOM 950 CD2 HIS A 63 -6.315 9.813 -16.694 1.00 0.00 C ATOM 951 CE1 HIS A 63 -5.480 9.992 -14.680 1.00 0.00 C ATOM 952 NE2 HIS A 63 -6.205 10.622 -15.647 1.00 0.00 N ATOM 0 H HIS A 63 -5.291 5.749 -15.357 1.00 0.00 H new ATOM 0 HA HIS A 63 -7.478 6.818 -16.916 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -4.480 6.993 -17.037 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.504 7.664 -18.291 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -4.602 8.094 -14.629 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -6.834 10.038 -17.614 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -5.223 10.399 -13.713 1.00 0.00 H new ATOM 960 N SER A 64 -7.543 5.492 -18.983 1.00 0.00 N ATOM 961 CA SER A 64 -7.735 4.589 -20.104 1.00 0.00 C ATOM 962 C SER A 64 -6.590 4.749 -21.108 1.00 0.00 C ATOM 963 O SER A 64 -5.789 5.674 -20.996 1.00 0.00 O ATOM 964 CB SER A 64 -9.080 4.838 -20.790 1.00 0.00 C ATOM 965 OG SER A 64 -10.147 4.163 -20.131 1.00 0.00 O ATOM 0 H SER A 64 -8.188 6.282 -18.956 1.00 0.00 H new ATOM 0 HA SER A 64 -7.736 3.568 -19.723 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.285 5.908 -20.809 1.00 0.00 H new ATOM 0 HB3 SER A 64 -9.026 4.505 -21.827 1.00 0.00 H new ATOM 0 HG SER A 64 -10.989 4.348 -20.597 1.00 0.00 H new ATOM 971 N THR A 65 -6.553 3.834 -22.065 1.00 0.00 N ATOM 972 CA THR A 65 -5.521 3.863 -23.087 1.00 0.00 C ATOM 973 C THR A 65 -5.664 5.114 -23.955 1.00 0.00 C ATOM 974 O THR A 65 -4.798 5.406 -24.778 1.00 0.00 O ATOM 975 CB THR A 65 -5.607 2.558 -23.883 1.00 0.00 C ATOM 976 OG1 THR A 65 -4.439 2.571 -24.699 1.00 0.00 O ATOM 977 CG2 THR A 65 -6.762 2.560 -24.886 1.00 0.00 C ATOM 0 H THR A 65 -7.221 3.068 -22.154 1.00 0.00 H new ATOM 0 HA THR A 65 -4.527 3.926 -22.643 1.00 0.00 H new ATOM 0 HB THR A 65 -5.724 1.720 -23.195 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.201 3.497 -24.915 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.778 1.612 -25.424 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.705 2.692 -24.355 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.627 3.377 -25.595 1.00 0.00 H new ATOM 985 N ASP A 66 -6.763 5.822 -23.740 1.00 0.00 N ATOM 986 CA ASP A 66 -7.031 7.036 -24.493 1.00 0.00 C ATOM 987 C ASP A 66 -6.180 8.177 -23.931 1.00 0.00 C ATOM 988 O ASP A 66 -6.057 9.229 -24.555 1.00 0.00 O ATOM 989 CB ASP A 66 -8.501 7.441 -24.378 1.00 0.00 C ATOM 990 CG ASP A 66 -9.482 6.539 -25.129 1.00 0.00 C ATOM 991 OD1 ASP A 66 -9.134 6.141 -26.260 1.00 0.00 O ATOM 992 OD2 ASP A 66 -10.558 6.268 -24.553 1.00 0.00 O ATOM 0 H ASP A 66 -7.478 5.578 -23.055 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.790 6.845 -25.539 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.777 7.454 -23.324 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.611 8.460 -24.749 1.00 0.00 H new ATOM 997 N VAL A 67 -5.615 7.928 -22.758 1.00 0.00 N ATOM 998 CA VAL A 67 -4.779 8.922 -22.106 1.00 0.00 C ATOM 999 C VAL A 67 -3.431 9.000 -22.826 1.00 0.00 C ATOM 1000 O VAL A 67 -2.863 10.082 -22.971 1.00 0.00 O ATOM 1001 CB VAL A 67 -4.643 8.595 -20.617 1.00 0.00 C ATOM 1002 CG1 VAL A 67 -3.177 8.390 -20.233 1.00 0.00 C ATOM 1003 CG2 VAL A 67 -5.290 9.681 -19.756 1.00 0.00 C ATOM 0 H VAL A 67 -5.720 7.054 -22.243 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.239 9.908 -22.169 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.172 7.661 -20.429 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.108 8.159 -19.170 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.761 7.565 -20.811 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.615 9.300 -20.444 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.179 9.424 -18.702 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.803 10.637 -19.950 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.349 9.757 -20.002 1.00 0.00 H new ATOM 1013 N ARG A 68 -2.958 7.840 -23.258 1.00 0.00 N ATOM 1014 CA ARG A 68 -1.688 7.765 -23.959 1.00 0.00 C ATOM 1015 C ARG A 68 -1.768 8.523 -25.286 1.00 0.00 C ATOM 1016 O ARG A 68 -0.762 9.035 -25.774 1.00 0.00 O ATOM 1017 CB ARG A 68 -1.296 6.312 -24.234 1.00 0.00 C ATOM 1018 CG ARG A 68 0.111 6.226 -24.829 1.00 0.00 C ATOM 1019 CD ARG A 68 0.978 5.237 -24.046 1.00 0.00 C ATOM 1020 NE ARG A 68 0.603 3.849 -24.396 1.00 0.00 N ATOM 1021 CZ ARG A 68 0.903 3.261 -25.562 1.00 0.00 C ATOM 1022 NH1 ARG A 68 1.586 3.937 -26.497 1.00 0.00 N ATOM 1023 NH2 ARG A 68 0.523 1.997 -25.794 1.00 0.00 N ATOM 0 H ARG A 68 -3.432 6.945 -23.136 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.930 8.220 -23.321 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.339 5.739 -23.308 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.013 5.862 -24.921 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.050 5.915 -25.872 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.576 7.212 -24.817 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.031 5.406 -24.271 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.851 5.398 -22.975 1.00 0.00 H new ATOM 0 HE ARG A 68 0.084 3.306 -23.706 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.877 4.899 -26.321 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.815 3.490 -27.385 1.00 0.00 H new ATOM 0 HH21 ARG A 68 0.005 1.482 -25.083 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.752 1.550 -26.682 1.00 0.00 H new ATOM 1037 N GLU A 69 -2.974 8.571 -25.831 1.00 0.00 N ATOM 1038 CA GLU A 69 -3.199 9.259 -27.092 1.00 0.00 C ATOM 1039 C GLU A 69 -3.735 10.669 -26.839 1.00 0.00 C ATOM 1040 O GLU A 69 -4.235 11.321 -27.755 1.00 0.00 O ATOM 1041 CB GLU A 69 -4.150 8.463 -27.989 1.00 0.00 C ATOM 1042 CG GLU A 69 -5.546 8.379 -27.368 1.00 0.00 C ATOM 1043 CD GLU A 69 -6.409 7.347 -28.097 1.00 0.00 C ATOM 1044 OE1 GLU A 69 -7.026 7.737 -29.112 1.00 0.00 O ATOM 1045 OE2 GLU A 69 -6.432 6.190 -27.624 1.00 0.00 O ATOM 0 H GLU A 69 -3.806 8.145 -25.423 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.245 9.342 -27.613 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.212 8.935 -28.969 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.755 7.459 -28.143 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.464 8.111 -26.315 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.027 9.356 -27.412 1.00 0.00 H new ATOM 1052 N LEU A 70 -3.613 11.099 -25.592 1.00 0.00 N ATOM 1053 CA LEU A 70 -4.079 12.421 -25.206 1.00 0.00 C ATOM 1054 C LEU A 70 -2.933 13.424 -25.357 1.00 0.00 C ATOM 1055 O LEU A 70 -2.992 14.318 -26.201 1.00 0.00 O ATOM 1056 CB LEU A 70 -4.687 12.387 -23.804 1.00 0.00 C ATOM 1057 CG LEU A 70 -6.108 12.941 -23.675 1.00 0.00 C ATOM 1058 CD1 LEU A 70 -6.154 14.424 -24.046 1.00 0.00 C ATOM 1059 CD2 LEU A 70 -7.095 12.112 -24.499 1.00 0.00 C ATOM 0 H LEU A 70 -3.198 10.555 -24.835 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.881 12.751 -25.866 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.688 11.354 -23.455 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.037 12.949 -23.134 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.413 12.862 -22.632 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.175 14.793 -23.946 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.498 14.986 -23.381 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.822 14.552 -25.076 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.097 12.526 -24.390 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.804 12.137 -25.549 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.088 11.081 -24.145 1.00 0.00 H new ATOM 1071 N SER A 71 -1.918 13.243 -24.525 1.00 0.00 N ATOM 1072 CA SER A 71 -0.761 14.122 -24.554 1.00 0.00 C ATOM 1073 C SER A 71 0.203 13.681 -25.659 1.00 0.00 C ATOM 1074 O SER A 71 1.154 12.944 -25.400 1.00 0.00 O ATOM 1075 CB SER A 71 -0.047 14.137 -23.202 1.00 0.00 C ATOM 1076 OG SER A 71 -0.377 15.292 -22.437 1.00 0.00 O ATOM 0 H SER A 71 -1.873 12.501 -23.827 1.00 0.00 H new ATOM 0 HA SER A 71 -1.106 15.135 -24.763 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.315 13.242 -22.641 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.031 14.103 -23.361 1.00 0.00 H new ATOM 0 HG SER A 71 0.098 15.264 -21.580 1.00 0.00 H new ATOM 1082 N LYS A 72 -0.076 14.151 -26.866 1.00 0.00 N ATOM 1083 CA LYS A 72 0.753 13.815 -28.010 1.00 0.00 C ATOM 1084 C LYS A 72 1.808 14.906 -28.208 1.00 0.00 C ATOM 1085 O LYS A 72 3.004 14.622 -28.228 1.00 0.00 O ATOM 1086 CB LYS A 72 -0.113 13.565 -29.246 1.00 0.00 C ATOM 1087 CG LYS A 72 0.007 12.115 -29.717 1.00 0.00 C ATOM 1088 CD LYS A 72 1.147 11.957 -30.724 1.00 0.00 C ATOM 1089 CE LYS A 72 0.628 11.421 -32.061 1.00 0.00 C ATOM 1090 NZ LYS A 72 1.359 12.041 -33.187 1.00 0.00 N ATOM 0 H LYS A 72 -0.865 14.762 -27.076 1.00 0.00 H new ATOM 0 HA LYS A 72 1.288 12.882 -27.831 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.154 13.791 -29.016 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.190 14.238 -30.048 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.181 11.464 -28.860 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.931 11.798 -30.172 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.636 12.919 -30.879 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.899 11.278 -30.323 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.746 10.338 -32.096 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.438 11.629 -32.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.994 11.666 -34.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.225 13.072 -33.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.372 11.821 -33.106 1.00 0.00 H new ATOM 1104 N THR A 73 1.325 16.131 -28.348 1.00 0.00 N ATOM 1105 CA THR A 73 2.211 17.266 -28.545 1.00 0.00 C ATOM 1106 C THR A 73 2.699 17.801 -27.196 1.00 0.00 C ATOM 1107 O THR A 73 3.788 18.363 -27.105 1.00 0.00 O ATOM 1108 CB THR A 73 1.465 18.310 -29.378 1.00 0.00 C ATOM 1109 OG1 THR A 73 1.433 17.750 -30.688 1.00 0.00 O ATOM 1110 CG2 THR A 73 2.263 19.605 -29.546 1.00 0.00 C ATOM 0 H THR A 73 0.332 16.363 -28.329 1.00 0.00 H new ATOM 0 HA THR A 73 3.110 16.976 -29.090 1.00 0.00 H new ATOM 0 HB THR A 73 0.507 18.533 -28.908 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.965 18.362 -31.294 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.688 20.311 -30.145 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.463 20.039 -28.566 1.00 0.00 H new ATOM 0 HG23 THR A 73 3.207 19.389 -30.047 1.00 0.00 H new ATOM 1118 N TYR A 74 1.867 17.607 -26.183 1.00 0.00 N ATOM 1119 CA TYR A 74 2.199 18.063 -24.844 1.00 0.00 C ATOM 1120 C TYR A 74 3.453 17.359 -24.321 1.00 0.00 C ATOM 1121 O TYR A 74 4.282 17.974 -23.652 1.00 0.00 O ATOM 1122 CB TYR A 74 1.009 17.681 -23.961 1.00 0.00 C ATOM 1123 CG TYR A 74 -0.307 18.344 -24.371 1.00 0.00 C ATOM 1124 CD1 TYR A 74 -0.295 19.582 -24.983 1.00 0.00 C ATOM 1125 CD2 TYR A 74 -1.506 17.705 -24.130 1.00 0.00 C ATOM 1126 CE1 TYR A 74 -1.534 20.205 -25.370 1.00 0.00 C ATOM 1127 CE2 TYR A 74 -2.745 18.329 -24.516 1.00 0.00 C ATOM 1128 CZ TYR A 74 -2.698 19.548 -25.117 1.00 0.00 C ATOM 1129 OH TYR A 74 -3.868 20.137 -25.481 1.00 0.00 O ATOM 0 H TYR A 74 0.964 17.140 -26.263 1.00 0.00 H new ATOM 0 HA TYR A 74 2.395 19.135 -24.841 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.883 16.599 -23.987 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.234 17.951 -22.929 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.643 20.083 -25.171 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.515 16.737 -23.652 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.539 21.172 -25.850 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.690 17.840 -24.332 1.00 0.00 H new ATOM 0 HH TYR A 74 -4.617 19.553 -25.240 1.00 0.00 H new ATOM 1139 N ILE A 75 3.553 16.078 -24.646 1.00 0.00 N ATOM 1140 CA ILE A 75 4.692 15.283 -24.218 1.00 0.00 C ATOM 1141 C ILE A 75 5.958 16.139 -24.281 1.00 0.00 C ATOM 1142 O ILE A 75 6.137 16.921 -25.213 1.00 0.00 O ATOM 1143 CB ILE A 75 4.780 13.991 -25.031 1.00 0.00 C ATOM 1144 CG1 ILE A 75 4.025 12.854 -24.341 1.00 0.00 C ATOM 1145 CG2 ILE A 75 6.237 13.621 -25.316 1.00 0.00 C ATOM 1146 CD1 ILE A 75 4.857 12.254 -23.205 1.00 0.00 C ATOM 0 H ILE A 75 2.864 15.571 -25.201 1.00 0.00 H new ATOM 0 HA ILE A 75 4.571 14.970 -23.181 1.00 0.00 H new ATOM 0 HB ILE A 75 4.296 14.160 -25.993 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.080 13.227 -23.947 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.783 12.079 -25.068 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.271 12.698 -25.895 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.712 14.423 -25.881 1.00 0.00 H new ATOM 0 HG23 ILE A 75 6.767 13.478 -24.374 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.297 11.448 -22.731 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.791 11.860 -23.607 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.076 13.026 -22.467 1.00 0.00 H new ATOM 1158 N ILE A 76 6.805 15.962 -23.278 1.00 0.00 N ATOM 1159 CA ILE A 76 8.050 16.708 -23.208 1.00 0.00 C ATOM 1160 C ILE A 76 9.206 15.801 -23.635 1.00 0.00 C ATOM 1161 O ILE A 76 10.043 16.197 -24.446 1.00 0.00 O ATOM 1162 CB ILE A 76 8.230 17.323 -21.819 1.00 0.00 C ATOM 1163 CG1 ILE A 76 9.326 16.596 -21.036 1.00 0.00 C ATOM 1164 CG2 ILE A 76 6.903 17.352 -21.057 1.00 0.00 C ATOM 1165 CD1 ILE A 76 9.874 17.478 -19.913 1.00 0.00 C ATOM 0 H ILE A 76 6.654 15.312 -22.506 1.00 0.00 H new ATOM 0 HA ILE A 76 8.030 17.549 -23.901 1.00 0.00 H new ATOM 0 HB ILE A 76 8.554 18.357 -21.941 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.927 15.673 -20.616 1.00 0.00 H new ATOM 0 HG13 ILE A 76 10.135 16.316 -21.711 1.00 0.00 H new ATOM 0 HG21 ILE A 76 7.058 17.794 -20.073 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.178 17.947 -21.612 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.527 16.335 -20.943 1.00 0.00 H new ATOM 0 HD11 ILE A 76 10.651 16.938 -19.372 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.294 18.389 -20.338 1.00 0.00 H new ATOM 0 HD13 ILE A 76 9.067 17.736 -19.227 1.00 0.00 H new ATOM 1177 N GLY A 77 9.218 14.604 -23.069 1.00 0.00 N ATOM 1178 CA GLY A 77 10.258 13.638 -23.380 1.00 0.00 C ATOM 1179 C GLY A 77 10.370 12.580 -22.281 1.00 0.00 C ATOM 1180 O GLY A 77 9.469 11.761 -22.109 1.00 0.00 O ATOM 0 H GLY A 77 8.523 14.280 -22.396 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.038 13.156 -24.333 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.213 14.151 -23.495 1.00 0.00 H new ATOM 1184 N GLU A 78 11.485 12.631 -21.566 1.00 0.00 N ATOM 1185 CA GLU A 78 11.727 11.686 -20.490 1.00 0.00 C ATOM 1186 C GLU A 78 12.937 12.123 -19.662 1.00 0.00 C ATOM 1187 O GLU A 78 14.046 12.229 -20.184 1.00 0.00 O ATOM 1188 CB GLU A 78 11.918 10.270 -21.035 1.00 0.00 C ATOM 1189 CG GLU A 78 12.921 10.258 -22.189 1.00 0.00 C ATOM 1190 CD GLU A 78 12.401 9.420 -23.360 1.00 0.00 C ATOM 1191 OE1 GLU A 78 11.401 9.858 -23.970 1.00 0.00 O ATOM 1192 OE2 GLU A 78 13.014 8.362 -23.617 1.00 0.00 O ATOM 0 H GLU A 78 12.230 13.312 -21.711 1.00 0.00 H new ATOM 0 HA GLU A 78 10.852 11.674 -19.840 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.267 9.614 -20.238 1.00 0.00 H new ATOM 0 HB3 GLU A 78 10.961 9.876 -21.376 1.00 0.00 H new ATOM 0 HG2 GLU A 78 13.109 11.279 -22.523 1.00 0.00 H new ATOM 0 HG3 GLU A 78 13.873 9.855 -21.844 1.00 0.00 H new ATOM 1199 N LEU A 79 12.684 12.365 -18.384 1.00 0.00 N ATOM 1200 CA LEU A 79 13.739 12.789 -17.479 1.00 0.00 C ATOM 1201 C LEU A 79 14.830 11.717 -17.438 1.00 0.00 C ATOM 1202 O LEU A 79 14.579 10.558 -17.767 1.00 0.00 O ATOM 1203 CB LEU A 79 13.160 13.131 -16.105 1.00 0.00 C ATOM 1204 CG LEU A 79 13.098 11.981 -15.097 1.00 0.00 C ATOM 1205 CD1 LEU A 79 12.753 10.663 -15.793 1.00 0.00 C ATOM 1206 CD2 LEU A 79 14.397 11.883 -14.295 1.00 0.00 C ATOM 0 H LEU A 79 11.764 12.275 -17.954 1.00 0.00 H new ATOM 0 HA LEU A 79 14.206 13.706 -17.839 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.755 13.935 -15.672 1.00 0.00 H new ATOM 0 HB3 LEU A 79 12.151 13.520 -16.245 1.00 0.00 H new ATOM 0 HG LEU A 79 12.298 12.191 -14.387 1.00 0.00 H new ATOM 0 HD11 LEU A 79 12.715 9.861 -15.056 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.783 10.753 -16.282 1.00 0.00 H new ATOM 0 HD13 LEU A 79 13.515 10.435 -16.538 1.00 0.00 H new ATOM 0 HD21 LEU A 79 14.326 11.058 -13.586 1.00 0.00 H new ATOM 0 HD22 LEU A 79 15.231 11.707 -14.974 1.00 0.00 H new ATOM 0 HD23 LEU A 79 14.561 12.814 -13.752 1.00 0.00 H new ATOM 1218 N HIS A 80 16.017 12.140 -17.029 1.00 0.00 N ATOM 1219 CA HIS A 80 17.146 11.231 -16.940 1.00 0.00 C ATOM 1220 C HIS A 80 16.665 9.860 -16.461 1.00 0.00 C ATOM 1221 O HIS A 80 15.786 9.770 -15.607 1.00 0.00 O ATOM 1222 CB HIS A 80 18.246 11.817 -16.052 1.00 0.00 C ATOM 1223 CG HIS A 80 19.630 11.307 -16.372 1.00 0.00 C ATOM 1224 ND1 HIS A 80 20.341 10.479 -15.520 1.00 0.00 N ATOM 1225 CD2 HIS A 80 20.427 11.515 -17.459 1.00 0.00 C ATOM 1226 CE1 HIS A 80 21.511 10.209 -16.079 1.00 0.00 C ATOM 1227 NE2 HIS A 80 21.563 10.852 -17.280 1.00 0.00 N ATOM 0 H HIS A 80 16.221 13.101 -16.755 1.00 0.00 H new ATOM 0 HA HIS A 80 17.589 11.097 -17.927 1.00 0.00 H new ATOM 0 HB2 HIS A 80 18.238 12.903 -16.150 1.00 0.00 H new ATOM 0 HB3 HIS A 80 18.018 11.590 -15.011 1.00 0.00 H new ATOM 0 HD2 HIS A 80 20.176 12.117 -18.320 1.00 0.00 H new ATOM 0 HE1 HIS A 80 22.288 9.588 -15.657 1.00 0.00 H new ATOM 0 HE2 HIS A 80 22.346 10.828 -17.933 1.00 0.00 H new ATOM 1235 N PRO A 81 17.278 8.799 -17.050 1.00 0.00 N ATOM 1236 CA PRO A 81 16.922 7.436 -16.694 1.00 0.00 C ATOM 1237 C PRO A 81 17.499 7.058 -15.328 1.00 0.00 C ATOM 1238 O PRO A 81 16.954 6.201 -14.635 1.00 0.00 O ATOM 1239 CB PRO A 81 17.463 6.578 -17.825 1.00 0.00 C ATOM 1240 CG PRO A 81 18.501 7.432 -18.536 1.00 0.00 C ATOM 1241 CD PRO A 81 18.324 8.867 -18.067 1.00 0.00 C ATOM 0 HA PRO A 81 15.846 7.297 -16.588 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.909 5.661 -17.441 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.666 6.283 -18.507 1.00 0.00 H new ATOM 0 HG2 PRO A 81 19.507 7.078 -18.310 1.00 0.00 H new ATOM 0 HG3 PRO A 81 18.375 7.365 -19.617 1.00 0.00 H new ATOM 0 HD2 PRO A 81 19.251 9.266 -17.655 1.00 0.00 H new ATOM 0 HD3 PRO A 81 18.034 9.520 -18.890 1.00 0.00 H new ATOM 1249 N ASP A 82 18.597 7.715 -14.983 1.00 0.00 N ATOM 1250 CA ASP A 82 19.255 7.459 -13.713 1.00 0.00 C ATOM 1251 C ASP A 82 18.526 8.217 -12.603 1.00 0.00 C ATOM 1252 O ASP A 82 18.673 7.895 -11.425 1.00 0.00 O ATOM 1253 CB ASP A 82 20.707 7.938 -13.738 1.00 0.00 C ATOM 1254 CG ASP A 82 21.734 6.920 -13.236 1.00 0.00 C ATOM 1255 OD1 ASP A 82 21.354 5.733 -13.136 1.00 0.00 O ATOM 1256 OD2 ASP A 82 22.875 7.352 -12.965 1.00 0.00 O ATOM 0 H ASP A 82 19.047 8.424 -15.561 1.00 0.00 H new ATOM 0 HA ASP A 82 19.233 6.384 -13.534 1.00 0.00 H new ATOM 0 HB2 ASP A 82 20.964 8.217 -14.760 1.00 0.00 H new ATOM 0 HB3 ASP A 82 20.786 8.840 -13.132 1.00 0.00 H new ATOM 1261 N ASP A 83 17.754 9.211 -13.018 1.00 0.00 N ATOM 1262 CA ASP A 83 17.001 10.018 -12.074 1.00 0.00 C ATOM 1263 C ASP A 83 15.658 9.343 -11.788 1.00 0.00 C ATOM 1264 O ASP A 83 15.225 9.274 -10.639 1.00 0.00 O ATOM 1265 CB ASP A 83 16.719 11.411 -12.641 1.00 0.00 C ATOM 1266 CG ASP A 83 17.804 12.453 -12.366 1.00 0.00 C ATOM 1267 OD1 ASP A 83 17.795 12.998 -11.241 1.00 0.00 O ATOM 1268 OD2 ASP A 83 18.618 12.683 -13.287 1.00 0.00 O ATOM 0 H ASP A 83 17.634 9.475 -13.996 1.00 0.00 H new ATOM 0 HA ASP A 83 17.594 10.112 -11.164 1.00 0.00 H new ATOM 0 HB2 ASP A 83 16.582 11.327 -13.719 1.00 0.00 H new ATOM 0 HB3 ASP A 83 15.777 11.771 -12.227 1.00 0.00 H new ATOM 1273 N ARG A 84 15.035 8.863 -12.855 1.00 0.00 N ATOM 1274 CA ARG A 84 13.750 8.196 -12.735 1.00 0.00 C ATOM 1275 C ARG A 84 13.870 6.973 -11.823 1.00 0.00 C ATOM 1276 O ARG A 84 12.903 6.581 -11.173 1.00 0.00 O ATOM 1277 CB ARG A 84 13.229 7.753 -14.103 1.00 0.00 C ATOM 1278 CG ARG A 84 14.271 6.910 -14.841 1.00 0.00 C ATOM 1279 CD ARG A 84 14.090 5.423 -14.532 1.00 0.00 C ATOM 1280 NE ARG A 84 12.897 4.901 -15.236 1.00 0.00 N ATOM 1281 CZ ARG A 84 12.224 3.804 -14.861 1.00 0.00 C ATOM 1282 NH1 ARG A 84 12.624 3.106 -13.789 1.00 0.00 N ATOM 1283 NH2 ARG A 84 11.152 3.404 -15.559 1.00 0.00 N ATOM 0 H ARG A 84 15.397 8.923 -13.807 1.00 0.00 H new ATOM 0 HA ARG A 84 13.046 8.908 -12.304 1.00 0.00 H new ATOM 0 HB2 ARG A 84 12.312 7.176 -13.978 1.00 0.00 H new ATOM 0 HB3 ARG A 84 12.975 8.629 -14.700 1.00 0.00 H new ATOM 0 HG2 ARG A 84 14.184 7.075 -15.915 1.00 0.00 H new ATOM 0 HG3 ARG A 84 15.273 7.226 -14.550 1.00 0.00 H new ATOM 0 HD2 ARG A 84 14.976 4.869 -14.841 1.00 0.00 H new ATOM 0 HD3 ARG A 84 13.981 5.277 -13.457 1.00 0.00 H new ATOM 0 HE ARG A 84 12.567 5.407 -16.057 1.00 0.00 H new ATOM 0 HH11 ARG A 84 13.441 3.410 -13.258 1.00 0.00 H new ATOM 0 HH12 ARG A 84 12.112 2.271 -13.504 1.00 0.00 H new ATOM 0 HH21 ARG A 84 10.848 3.934 -16.376 1.00 0.00 H new ATOM 0 HH22 ARG A 84 10.640 2.569 -15.274 1.00 0.00 H new ATOM 1297 N SER A 85 15.067 6.404 -11.804 1.00 0.00 N ATOM 1298 CA SER A 85 15.327 5.234 -10.983 1.00 0.00 C ATOM 1299 C SER A 85 15.725 5.664 -9.569 1.00 0.00 C ATOM 1300 O SER A 85 15.779 4.840 -8.658 1.00 0.00 O ATOM 1301 CB SER A 85 16.422 4.361 -11.599 1.00 0.00 C ATOM 1302 OG SER A 85 16.687 3.202 -10.813 1.00 0.00 O ATOM 0 H SER A 85 15.867 6.732 -12.344 1.00 0.00 H new ATOM 0 HA SER A 85 14.413 4.642 -10.933 1.00 0.00 H new ATOM 0 HB2 SER A 85 16.122 4.058 -12.602 1.00 0.00 H new ATOM 0 HB3 SER A 85 17.336 4.946 -11.702 1.00 0.00 H new ATOM 0 HG SER A 85 16.413 3.365 -9.886 1.00 0.00 H new ATOM 1308 N LYS A 86 15.991 6.955 -9.431 1.00 0.00 N ATOM 1309 CA LYS A 86 16.381 7.504 -8.143 1.00 0.00 C ATOM 1310 C LYS A 86 15.133 7.709 -7.282 1.00 0.00 C ATOM 1311 O LYS A 86 15.194 7.597 -6.058 1.00 0.00 O ATOM 1312 CB LYS A 86 17.213 8.774 -8.333 1.00 0.00 C ATOM 1313 CG LYS A 86 18.708 8.452 -8.356 1.00 0.00 C ATOM 1314 CD LYS A 86 19.399 8.962 -7.089 1.00 0.00 C ATOM 1315 CE LYS A 86 20.844 9.371 -7.379 1.00 0.00 C ATOM 1316 NZ LYS A 86 21.453 10.003 -6.188 1.00 0.00 N ATOM 0 H LYS A 86 15.944 7.636 -10.189 1.00 0.00 H new ATOM 0 HA LYS A 86 17.025 6.805 -7.609 1.00 0.00 H new ATOM 0 HB2 LYS A 86 16.928 9.263 -9.264 1.00 0.00 H new ATOM 0 HB3 LYS A 86 17.001 9.476 -7.526 1.00 0.00 H new ATOM 0 HG2 LYS A 86 18.850 7.375 -8.444 1.00 0.00 H new ATOM 0 HG3 LYS A 86 19.168 8.907 -9.233 1.00 0.00 H new ATOM 0 HD2 LYS A 86 18.850 9.814 -6.689 1.00 0.00 H new ATOM 0 HD3 LYS A 86 19.384 8.185 -6.324 1.00 0.00 H new ATOM 0 HE2 LYS A 86 21.424 8.496 -7.670 1.00 0.00 H new ATOM 0 HE3 LYS A 86 20.870 10.065 -8.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 22.434 10.274 -6.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 20.908 10.850 -5.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 21.446 9.330 -5.396 1.00 0.00 H new ATOM 1330 N ILE A 87 14.031 8.007 -7.955 1.00 0.00 N ATOM 1331 CA ILE A 87 12.771 8.229 -7.267 1.00 0.00 C ATOM 1332 C ILE A 87 12.254 6.899 -6.716 1.00 0.00 C ATOM 1333 O ILE A 87 11.252 6.865 -6.003 1.00 0.00 O ATOM 1334 CB ILE A 87 11.777 8.943 -8.184 1.00 0.00 C ATOM 1335 CG1 ILE A 87 12.051 10.448 -8.226 1.00 0.00 C ATOM 1336 CG2 ILE A 87 10.335 8.634 -7.778 1.00 0.00 C ATOM 1337 CD1 ILE A 87 12.021 11.049 -6.820 1.00 0.00 C ATOM 0 H ILE A 87 13.985 8.100 -8.970 1.00 0.00 H new ATOM 0 HA ILE A 87 12.915 8.893 -6.415 1.00 0.00 H new ATOM 0 HB ILE A 87 11.914 8.563 -9.196 1.00 0.00 H new ATOM 0 HG12 ILE A 87 13.023 10.632 -8.683 1.00 0.00 H new ATOM 0 HG13 ILE A 87 11.306 10.940 -8.852 1.00 0.00 H new ATOM 0 HG21 ILE A 87 9.649 9.154 -8.447 1.00 0.00 H new ATOM 0 HG22 ILE A 87 10.161 7.560 -7.844 1.00 0.00 H new ATOM 0 HG23 ILE A 87 10.166 8.967 -6.754 1.00 0.00 H new ATOM 0 HD11 ILE A 87 12.219 12.119 -6.878 1.00 0.00 H new ATOM 0 HD12 ILE A 87 11.040 10.885 -6.375 1.00 0.00 H new ATOM 0 HD13 ILE A 87 12.783 10.572 -6.204 1.00 0.00 H new ATOM 1349 N ALA A 88 12.961 5.835 -7.068 1.00 0.00 N ATOM 1350 CA ALA A 88 12.586 4.505 -6.618 1.00 0.00 C ATOM 1351 C ALA A 88 12.547 4.481 -5.089 1.00 0.00 C ATOM 1352 O ALA A 88 13.516 4.079 -4.446 1.00 0.00 O ATOM 1353 CB ALA A 88 13.563 3.477 -7.193 1.00 0.00 C ATOM 0 H ALA A 88 13.791 5.867 -7.660 1.00 0.00 H new ATOM 0 HA ALA A 88 11.590 4.245 -6.977 1.00 0.00 H new ATOM 0 HB1 ALA A 88 13.282 2.479 -6.856 1.00 0.00 H new ATOM 0 HB2 ALA A 88 13.531 3.514 -8.282 1.00 0.00 H new ATOM 0 HB3 ALA A 88 14.573 3.704 -6.852 1.00 0.00 H new TER 1359 ALA A 88 HETATM 1360 FE HEM A 95 -6.238 12.494 -15.842 1.00 0.00 FE HETATM 1361 CHA HEM A 95 -9.579 12.169 -15.994 1.00 0.00 C HETATM 1362 CHB HEM A 95 -6.083 12.525 -19.234 1.00 0.00 C HETATM 1363 CHC HEM A 95 -2.883 12.845 -15.669 1.00 0.00 C HETATM 1364 CHD HEM A 95 -6.379 12.488 -12.431 1.00 0.00 C HETATM 1365 NA HEM A 95 -7.588 12.358 -17.307 1.00 0.00 N HETATM 1366 C1A HEM A 95 -8.941 12.239 -17.154 1.00 0.00 C HETATM 1367 C2A HEM A 95 -9.554 12.177 -18.477 1.00 0.00 C HETATM 1368 C3A HEM A 95 -8.567 12.285 -19.383 1.00 0.00 C HETATM 1369 C4A HEM A 95 -7.339 12.409 -18.650 1.00 0.00 C HETATM 1370 CMA HEM A 95 -8.747 12.230 -20.892 1.00 0.00 C HETATM 1371 CAA HEM A 95 -10.879 11.437 -18.881 1.00 0.00 C HETATM 1372 CBA HEM A 95 -10.882 10.057 -19.577 1.00 0.00 C HETATM 1373 CGA HEM A 95 -9.676 9.201 -19.214 1.00 0.00 C HETATM 1374 O1A HEM A 95 -8.601 9.771 -18.901 1.00 0.00 O HETATM 1375 O2A HEM A 95 -9.790 7.949 -19.223 1.00 0.00 O HETATM 1376 NB HEM A 95 -4.767 12.644 -17.175 1.00 0.00 N HETATM 1377 C1B HEM A 95 -4.903 12.632 -18.530 1.00 0.00 C HETATM 1378 C2B HEM A 95 -3.605 12.773 -19.169 1.00 0.00 C HETATM 1379 C3B HEM A 95 -2.705 12.862 -18.177 1.00 0.00 C HETATM 1380 C4B HEM A 95 -3.431 12.801 -16.909 1.00 0.00 C HETATM 1381 CMB HEM A 95 -3.285 12.791 -20.654 1.00 0.00 C HETATM 1382 CAB HEM A 95 -1.213 13.009 -18.347 1.00 0.00 C HETATM 1383 CBB HEM A 95 -0.458 12.676 -19.249 1.00 0.00 C HETATM 1384 NC HEM A 95 -4.890 12.653 -14.346 1.00 0.00 N HETATM 1385 C1C HEM A 95 -3.538 12.783 -14.486 1.00 0.00 C HETATM 1386 C2C HEM A 95 -2.907 12.833 -13.187 1.00 0.00 C HETATM 1387 C3C HEM A 95 -3.926 12.753 -12.253 1.00 0.00 C HETATM 1388 C4C HEM A 95 -5.145 12.614 -12.989 1.00 0.00 C HETATM 1389 CMC HEM A 95 -1.461 12.988 -12.850 1.00 0.00 C HETATM 1390 CAC HEM A 95 -3.716 12.783 -10.774 1.00 0.00 C HETATM 1391 CBC HEM A 95 -3.050 12.170 -10.149 1.00 0.00 C HETATM 1392 ND HEM A 95 -7.713 12.361 -14.486 1.00 0.00 N HETATM 1393 C1D HEM A 95 -7.570 12.373 -13.112 1.00 0.00 C HETATM 1394 C2D HEM A 95 -8.900 12.239 -12.485 1.00 0.00 C HETATM 1395 C3D HEM A 95 -9.756 12.152 -13.491 1.00 0.00 C HETATM 1396 C4D HEM A 95 -9.032 12.230 -14.736 1.00 0.00 C HETATM 1397 CMD HEM A 95 -9.177 12.221 -11.013 1.00 0.00 C HETATM 1398 CAD HEM A 95 -11.367 12.243 -13.542 1.00 0.00 C HETATM 1399 CBD HEM A 95 -11.984 10.829 -13.402 1.00 0.00 C HETATM 1400 CGD HEM A 95 -13.471 10.828 -13.752 1.00 0.00 C HETATM 1401 O1D HEM A 95 -14.007 11.561 -14.581 1.00 0.00 O HETATM 1402 O2D HEM A 95 -14.123 10.144 -12.821 1.00 0.00 O HETATM 0 HMA1 HEM A 95 -7.953 12.801 -21.374 1.00 0.00 H new HETATM 0 HMA2 HEM A 95 -9.714 12.656 -21.159 1.00 0.00 H new HETATM 0 HMA3 HEM A 95 -8.703 11.193 -21.226 1.00 0.00 H new HETATM 0 HMB1 HEM A 95 -2.403 13.407 -20.829 1.00 0.00 H new HETATM 0 HMB2 HEM A 95 -4.131 13.204 -21.203 1.00 0.00 H new HETATM 0 HMB3 HEM A 95 -3.091 11.775 -20.997 1.00 0.00 H new HETATM 0 HMC1 HEM A 95 -0.854 12.551 -13.642 1.00 0.00 H new HETATM 0 HMC2 HEM A 95 -1.250 12.480 -11.909 1.00 0.00 H new HETATM 0 HMC3 HEM A 95 -1.222 14.047 -12.752 1.00 0.00 H new HETATM 0 HMD1 HEM A 95 -10.167 12.636 -10.824 1.00 0.00 H new HETATM 0 HMD2 HEM A 95 -8.428 12.819 -10.494 1.00 0.00 H new HETATM 0 HMD3 HEM A 95 -9.138 11.195 -10.648 1.00 0.00 H new HETATM 0 HBB1 HEM A 95 0.610 12.881 -19.170 1.00 0.00 H new HETATM 0 HBB2 HEM A 95 -0.852 12.174 -20.132 1.00 0.00 H new HETATM 0 HBC1 HEM A 95 -3.019 12.325 -9.070 1.00 0.00 H new HETATM 0 HBC2 HEM A 95 -2.421 11.408 -10.608 1.00 0.00 H new HETATM 0 HBA1 HEM A 95 -10.905 10.202 -20.657 1.00 0.00 H new HETATM 0 HBA2 HEM A 95 -11.793 9.523 -19.307 1.00 0.00 H new HETATM 0 HAA1 HEM A 95 -11.429 12.116 -19.533 1.00 0.00 H new HETATM 0 HAA2 HEM A 95 -11.465 11.327 -17.969 1.00 0.00 H new HETATM 0 HBD1 HEM A 95 -11.850 10.472 -12.381 1.00 0.00 H new HETATM 0 HBD2 HEM A 95 -11.455 10.134 -14.055 1.00 0.00 H new HETATM 0 HAD1 HEM A 95 -11.684 12.695 -14.482 1.00 0.00 H new HETATM 0 HAD2 HEM A 95 -11.728 12.887 -12.740 1.00 0.00 H new HETATM 0 HHA HEM A 95 -10.651 12.050 -16.044 1.00 0.00 H new HETATM 0 HHB HEM A 95 -6.028 12.532 -20.313 1.00 0.00 H new HETATM 0 HHC HEM A 95 -1.808 12.940 -15.620 1.00 0.00 H new HETATM 0 HHD HEM A 95 -6.429 12.477 -11.352 1.00 0.00 H new HETATM 0 HAB HEM A 95 -0.717 13.503 -17.512 1.00 0.00 H new HETATM 0 HAC HEM A 95 -4.310 13.521 -10.235 1.00 0.00 H new