USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 926 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 119 SER OG : rot 180:sc= 0.0286 USER MOD Set 1.2: A 120 CYS SG : rot 180:sc= -0.283 USER MOD Set 2.1: A 108 ASN : amide:sc= 0 X(o=-0.0033,f=0.37) USER MOD Set 2.2: A 109 HIS : no HD1:sc=-0.00329 X(o=-0.0033,f=0) USER MOD Set 3.1: A 72 CYS SG : rot 80:sc= 1.16 USER MOD Set 3.2: A 90 CYS SG : rot 33:sc= -0.603 USER MOD Set 4.1: A 81 THR OG1 : rot -91:sc= 1.54 USER MOD Set 4.2: A 86 LYS NZ :NH3+ 174:sc= 0.662 (180deg=-0.262) USER MOD Set 5.1: A 62 CYS SG : rot 180:sc= 0.778 USER MOD Set 5.2: A 76 CYS SG : rot -56:sc= 0.646 USER MOD Set 6.1: A 48 SER OG : rot 180:sc= 0.246 USER MOD Set 6.2: A 57 ASN : amide:sc= 1.88 K(o=2.1,f=-3.2!) USER MOD Set 7.1: A 43 THR OG1 : rot 180:sc= 0.537 USER MOD Set 7.2: A 49 LYS NZ :NH3+ 157:sc= 0.571 (180deg=0) USER MOD Set 8.1: A 35 SER OG : rot -148:sc= 0.806 USER MOD Set 8.2: A 40 LYS NZ :NH3+ -175:sc= 0.908 (180deg=-0.0373) USER MOD Set 9.1: A 34 SER OG : rot 80:sc= 0.106 USER MOD Set 9.2: A 42 ASN : amide:sc= 0.917 K(o=2.8,f=1.1) USER MOD Set 9.3: A 55 GLN : amide:sc= 1.81 K(o=2.8,f=-0.47) USER MOD Set10.1: A 28 CYS SG : rot -150:sc= 0.366 USER MOD Set10.2: A 32 HIS : no HE2:sc= 0.121 K(o=0.4,f=-0.87) USER MOD Set10.3: A 110 CYS SG : rot -81:sc= -0.0826 USER MOD Set11.1: A 7 CYS SG : rot 180:sc= 0 USER MOD Set11.2: A 11 HIS : no HD1:sc= 1.03 K(o=1,f=-3.2!) USER MOD Set12.1: A 1 GLY N :NH3+ -168:sc= 0.454 (180deg=0.206) USER MOD Set12.2: A 39 SER OG : rot 180:sc= 0.28 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -178:sc= 1.21 (180deg=1.18) USER MOD Single : A 16 HIS : no HD1:sc= -0.117 K(o=-0.12,f=-2.3) USER MOD Single : A 21 ASN : amide:sc= 0.0197 K(o=0.02,f=-2.3!) USER MOD Single : A 23 MET CE :methyl 147:sc= -0.173 (180deg=-3.9!) USER MOD Single : A 25 ASN : amide:sc= 0.605 K(o=0.61,f=-3!) USER MOD Single : A 38 THR OG1 : rot 163:sc= 0.964 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 1.14 K(o=1.1,f=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0.342 USER MOD Single : A 63 SER OG : rot -150:sc= 0.137 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= -0.0306 USER MOD Single : A 70 LYS NZ :NH3+ 176:sc= 0.954 (180deg=0.946) USER MOD Single : A 73 ASN : amide:sc= -0.0513 K(o=-0.051,f=-0.81) USER MOD Single : A 75 LYS NZ :NH3+ 152:sc= 1.1 (180deg=0.559) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.0796 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 170:sc= 0.931 (180deg=0.858) USER MOD Single : A 93 LYS NZ :NH3+ -174:sc= 1.14 (180deg=1.11) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.0313 X(o=-0.031,f=-0.02) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 174:sc= 1.21 (180deg=1.16) USER MOD Single : A 111 GLN : amide:sc= 1.24 K(o=1.2,f=-0.023) USER MOD Single : A 113 SER OG : rot 42:sc= 0.759 USER MOD Single : A 118 SER OG : rot 77:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.447 -8.393 10.016 1.00 0.00 N ATOM 2 CA GLY A 1 -7.767 -7.762 8.721 1.00 0.00 C ATOM 3 C GLY A 1 -8.553 -8.684 7.808 1.00 0.00 C ATOM 4 O GLY A 1 -9.292 -9.554 8.276 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.094 -7.671 10.676 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.304 -8.833 10.409 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.717 -9.121 9.877 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.341 -6.852 8.895 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.842 -7.466 8.226 1.00 0.00 H new ATOM 10 N LYS A 2 -8.415 -8.481 6.496 1.00 0.00 N ATOM 11 CA LYS A 2 -9.168 -9.146 5.425 1.00 0.00 C ATOM 12 C LYS A 2 -8.448 -9.063 4.063 1.00 0.00 C ATOM 13 O LYS A 2 -7.596 -8.189 3.855 1.00 0.00 O ATOM 14 CB LYS A 2 -10.584 -8.534 5.344 1.00 0.00 C ATOM 15 CG LYS A 2 -10.586 -7.063 4.882 1.00 0.00 C ATOM 16 CD LYS A 2 -11.991 -6.459 4.775 1.00 0.00 C ATOM 17 CE LYS A 2 -12.798 -7.074 3.622 1.00 0.00 C ATOM 18 NZ LYS A 2 -14.126 -6.423 3.478 1.00 0.00 N ATOM 0 H LYS A 2 -7.738 -7.812 6.130 1.00 0.00 H new ATOM 0 HA LYS A 2 -9.242 -10.206 5.667 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.189 -9.125 4.656 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.058 -8.601 6.323 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -9.996 -6.470 5.581 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -10.094 -6.994 3.912 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -12.524 -6.614 5.713 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.912 -5.382 4.627 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.239 -6.973 2.691 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.932 -8.141 3.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.644 -6.862 2.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.668 -6.541 4.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.997 -5.409 3.284 1.00 0.00 H new ATOM 32 N THR A 3 -8.853 -9.920 3.115 1.00 0.00 N ATOM 33 CA THR A 3 -8.307 -9.972 1.748 1.00 0.00 C ATOM 34 C THR A 3 -9.344 -9.500 0.736 1.00 0.00 C ATOM 35 O THR A 3 -10.495 -9.936 0.765 1.00 0.00 O ATOM 36 CB THR A 3 -7.793 -11.375 1.400 1.00 0.00 C ATOM 37 OG1 THR A 3 -7.035 -11.881 2.479 1.00 0.00 O ATOM 38 CG2 THR A 3 -6.874 -11.324 0.179 1.00 0.00 C ATOM 0 H THR A 3 -9.585 -10.612 3.279 1.00 0.00 H new ATOM 0 HA THR A 3 -7.455 -9.294 1.704 1.00 0.00 H new ATOM 0 HB THR A 3 -8.656 -12.009 1.193 1.00 0.00 H new ATOM 0 HG1 THR A 3 -6.708 -12.778 2.257 1.00 0.00 H new ATOM 0 HG21 THR A 3 -6.520 -12.329 -0.052 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.424 -10.928 -0.674 1.00 0.00 H new ATOM 0 HG23 THR A 3 -6.022 -10.679 0.392 1.00 0.00 H new ATOM 46 N PHE A 4 -8.919 -8.611 -0.161 1.00 0.00 N ATOM 47 CA PHE A 4 -9.712 -8.034 -1.249 1.00 0.00 C ATOM 48 C PHE A 4 -9.456 -8.788 -2.565 1.00 0.00 C ATOM 49 O PHE A 4 -8.387 -9.369 -2.774 1.00 0.00 O ATOM 50 CB PHE A 4 -9.363 -6.535 -1.390 1.00 0.00 C ATOM 51 CG PHE A 4 -9.786 -5.672 -0.208 1.00 0.00 C ATOM 52 CD1 PHE A 4 -9.055 -5.702 0.999 1.00 0.00 C ATOM 53 CD2 PHE A 4 -10.927 -4.848 -0.301 1.00 0.00 C ATOM 54 CE1 PHE A 4 -9.488 -4.956 2.109 1.00 0.00 C ATOM 55 CE2 PHE A 4 -11.360 -4.108 0.814 1.00 0.00 C ATOM 56 CZ PHE A 4 -10.648 -4.168 2.022 1.00 0.00 C ATOM 0 H PHE A 4 -7.963 -8.255 -0.149 1.00 0.00 H new ATOM 0 HA PHE A 4 -10.773 -8.131 -1.017 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.286 -6.437 -1.527 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -9.836 -6.149 -2.293 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -8.159 -6.301 1.070 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -11.470 -4.785 -1.232 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.927 -4.989 3.031 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -12.244 -3.491 0.740 1.00 0.00 H new ATOM 0 HZ PHE A 4 -10.990 -3.611 2.881 1.00 0.00 H new ATOM 66 N THR A 5 -10.434 -8.738 -3.473 1.00 0.00 N ATOM 67 CA THR A 5 -10.297 -9.176 -4.877 1.00 0.00 C ATOM 68 C THR A 5 -9.893 -7.975 -5.728 1.00 0.00 C ATOM 69 O THR A 5 -10.061 -6.844 -5.278 1.00 0.00 O ATOM 70 CB THR A 5 -11.573 -9.877 -5.364 1.00 0.00 C ATOM 71 OG1 THR A 5 -11.280 -10.458 -6.614 1.00 0.00 O ATOM 72 CG2 THR A 5 -12.781 -8.952 -5.532 1.00 0.00 C ATOM 0 H THR A 5 -11.366 -8.385 -3.254 1.00 0.00 H new ATOM 0 HA THR A 5 -9.510 -9.924 -4.967 1.00 0.00 H new ATOM 0 HB THR A 5 -11.853 -10.604 -4.602 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.075 -10.918 -6.956 1.00 0.00 H new ATOM 0 HG21 THR A 5 -13.637 -9.531 -5.879 1.00 0.00 H new ATOM 0 HG22 THR A 5 -13.020 -8.488 -4.575 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.547 -8.177 -6.262 1.00 0.00 H new ATOM 80 N ARG A 6 -9.359 -8.177 -6.937 1.00 0.00 N ATOM 81 CA ARG A 6 -8.847 -7.070 -7.767 1.00 0.00 C ATOM 82 C ARG A 6 -9.922 -6.006 -8.029 1.00 0.00 C ATOM 83 O ARG A 6 -9.681 -4.825 -7.787 1.00 0.00 O ATOM 84 CB ARG A 6 -8.236 -7.608 -9.071 1.00 0.00 C ATOM 85 CG ARG A 6 -7.475 -6.501 -9.826 1.00 0.00 C ATOM 86 CD ARG A 6 -6.757 -7.032 -11.070 1.00 0.00 C ATOM 87 NE ARG A 6 -5.652 -7.939 -10.712 1.00 0.00 N ATOM 88 CZ ARG A 6 -5.256 -9.030 -11.352 1.00 0.00 C ATOM 89 NH1 ARG A 6 -5.876 -9.493 -12.418 1.00 0.00 N ATOM 90 NH2 ARG A 6 -4.199 -9.672 -10.915 1.00 0.00 N ATOM 0 H ARG A 6 -9.268 -9.097 -7.368 1.00 0.00 H new ATOM 0 HA ARG A 6 -8.053 -6.573 -7.210 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.558 -8.431 -8.846 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -9.025 -8.010 -9.707 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -8.174 -5.718 -10.120 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.747 -6.043 -9.157 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.469 -7.558 -11.705 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.369 -6.196 -11.651 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.129 -7.698 -9.870 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.696 -9.008 -12.782 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.536 -10.337 -12.879 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -3.697 -9.330 -10.096 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -3.879 -10.514 -11.394 1.00 0.00 H new ATOM 104 N CYS A 7 -11.136 -6.406 -8.421 1.00 0.00 N ATOM 105 CA CYS A 7 -12.263 -5.478 -8.626 1.00 0.00 C ATOM 106 C CYS A 7 -12.652 -4.721 -7.343 1.00 0.00 C ATOM 107 O CYS A 7 -12.871 -3.511 -7.384 1.00 0.00 O ATOM 108 CB CYS A 7 -13.451 -6.252 -9.210 1.00 0.00 C ATOM 109 SG CYS A 7 -14.872 -5.223 -9.667 1.00 0.00 S ATOM 0 H CYS A 7 -11.369 -7.382 -8.606 1.00 0.00 H new ATOM 0 HA CYS A 7 -11.949 -4.710 -9.333 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -13.115 -6.796 -10.092 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -13.777 -6.995 -8.482 1.00 0.00 H new ATOM 0 HG CYS A 7 -15.816 -5.976 -10.150 1.00 0.00 H new ATOM 114 N GLY A 8 -12.625 -5.401 -6.190 1.00 0.00 N ATOM 115 CA GLY A 8 -12.876 -4.795 -4.878 1.00 0.00 C ATOM 116 C GLY A 8 -11.797 -3.779 -4.510 1.00 0.00 C ATOM 117 O GLY A 8 -12.123 -2.673 -4.095 1.00 0.00 O ATOM 0 H GLY A 8 -12.426 -6.400 -6.142 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.850 -4.306 -4.883 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.915 -5.575 -4.118 1.00 0.00 H new ATOM 121 N LEU A 9 -10.519 -4.111 -4.728 1.00 0.00 N ATOM 122 CA LEU A 9 -9.377 -3.226 -4.527 1.00 0.00 C ATOM 123 C LEU A 9 -9.417 -2.016 -5.467 1.00 0.00 C ATOM 124 O LEU A 9 -9.330 -0.897 -4.976 1.00 0.00 O ATOM 125 CB LEU A 9 -8.094 -4.068 -4.675 1.00 0.00 C ATOM 126 CG LEU A 9 -6.817 -3.262 -4.397 1.00 0.00 C ATOM 127 CD1 LEU A 9 -6.807 -2.713 -2.966 1.00 0.00 C ATOM 128 CD2 LEU A 9 -5.584 -4.136 -4.639 1.00 0.00 C ATOM 0 H LEU A 9 -10.248 -5.036 -5.061 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.404 -2.796 -3.526 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.140 -4.915 -3.990 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.048 -4.477 -5.684 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.794 -2.413 -5.081 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.890 -2.147 -2.800 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.668 -2.060 -2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.856 -3.541 -2.258 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.683 -3.557 -4.440 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.614 -5.000 -3.975 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.576 -4.475 -5.675 1.00 0.00 H new ATOM 140 N VAL A 10 -9.626 -2.215 -6.774 1.00 0.00 N ATOM 141 CA VAL A 10 -9.820 -1.123 -7.755 1.00 0.00 C ATOM 142 C VAL A 10 -10.870 -0.122 -7.244 1.00 0.00 C ATOM 143 O VAL A 10 -10.640 1.084 -7.248 1.00 0.00 O ATOM 144 CB VAL A 10 -10.232 -1.673 -9.148 1.00 0.00 C ATOM 145 CG1 VAL A 10 -10.761 -0.582 -10.093 1.00 0.00 C ATOM 146 CG2 VAL A 10 -9.064 -2.368 -9.864 1.00 0.00 C ATOM 0 H VAL A 10 -9.667 -3.145 -7.191 1.00 0.00 H new ATOM 0 HA VAL A 10 -8.866 -0.608 -7.869 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.027 -2.387 -8.933 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.032 -1.029 -11.049 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -11.639 -0.112 -9.650 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.987 0.170 -10.250 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.399 -2.736 -10.834 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.250 -1.657 -10.007 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.713 -3.204 -9.260 1.00 0.00 H new ATOM 156 N HIS A 11 -11.998 -0.621 -6.737 1.00 0.00 N ATOM 157 CA HIS A 11 -13.086 0.198 -6.183 1.00 0.00 C ATOM 158 C HIS A 11 -12.718 0.889 -4.856 1.00 0.00 C ATOM 159 O HIS A 11 -13.003 2.075 -4.684 1.00 0.00 O ATOM 160 CB HIS A 11 -14.335 -0.676 -5.997 1.00 0.00 C ATOM 161 CG HIS A 11 -15.017 -1.133 -7.266 1.00 0.00 C ATOM 162 ND1 HIS A 11 -16.223 -1.838 -7.292 1.00 0.00 N ATOM 163 CD2 HIS A 11 -14.609 -0.908 -8.553 1.00 0.00 C ATOM 164 CE1 HIS A 11 -16.506 -2.028 -8.590 1.00 0.00 C ATOM 165 NE2 HIS A 11 -15.559 -1.481 -9.369 1.00 0.00 N ATOM 0 H HIS A 11 -12.188 -1.622 -6.697 1.00 0.00 H new ATOM 0 HA HIS A 11 -13.281 0.998 -6.898 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -14.055 -1.558 -5.420 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -15.058 -0.120 -5.399 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -13.718 -0.384 -8.867 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -17.377 -2.550 -8.958 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -15.546 -1.489 -10.389 1.00 0.00 H new ATOM 173 N GLU A 12 -12.061 0.183 -3.934 1.00 0.00 N ATOM 174 CA GLU A 12 -11.648 0.709 -2.628 1.00 0.00 C ATOM 175 C GLU A 12 -10.643 1.860 -2.784 1.00 0.00 C ATOM 176 O GLU A 12 -10.753 2.884 -2.119 1.00 0.00 O ATOM 177 CB GLU A 12 -11.075 -0.442 -1.777 1.00 0.00 C ATOM 178 CG GLU A 12 -11.369 -0.332 -0.278 1.00 0.00 C ATOM 179 CD GLU A 12 -12.881 -0.301 0.012 1.00 0.00 C ATOM 180 OE1 GLU A 12 -13.559 -1.342 -0.136 1.00 0.00 O ATOM 181 OE2 GLU A 12 -13.411 0.775 0.373 1.00 0.00 O ATOM 0 H GLU A 12 -11.795 -0.791 -4.076 1.00 0.00 H new ATOM 0 HA GLU A 12 -12.516 1.124 -2.115 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.479 -1.385 -2.145 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.995 -0.480 -1.921 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.917 -1.176 0.243 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.905 0.572 0.117 1.00 0.00 H new ATOM 188 N LEU A 13 -9.718 1.745 -3.738 1.00 0.00 N ATOM 189 CA LEU A 13 -8.746 2.794 -4.059 1.00 0.00 C ATOM 190 C LEU A 13 -9.386 3.964 -4.813 1.00 0.00 C ATOM 191 O LEU A 13 -9.079 5.119 -4.522 1.00 0.00 O ATOM 192 CB LEU A 13 -7.612 2.161 -4.870 1.00 0.00 C ATOM 193 CG LEU A 13 -6.862 1.036 -4.144 1.00 0.00 C ATOM 194 CD1 LEU A 13 -5.879 0.397 -5.124 1.00 0.00 C ATOM 195 CD2 LEU A 13 -6.115 1.518 -2.898 1.00 0.00 C ATOM 0 H LEU A 13 -9.621 0.911 -4.317 1.00 0.00 H new ATOM 0 HA LEU A 13 -8.354 3.215 -3.133 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.023 1.766 -5.799 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.899 2.939 -5.143 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.600 0.312 -3.799 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.337 -0.406 -4.624 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.426 -0.010 -5.975 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.172 1.150 -5.473 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.606 0.675 -2.430 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.382 2.273 -3.183 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.825 1.950 -2.192 1.00 0.00 H new ATOM 207 N ARG A 14 -10.323 3.692 -5.728 1.00 0.00 N ATOM 208 CA ARG A 14 -11.125 4.743 -6.388 1.00 0.00 C ATOM 209 C ARG A 14 -11.906 5.595 -5.370 1.00 0.00 C ATOM 210 O ARG A 14 -11.952 6.820 -5.502 1.00 0.00 O ATOM 211 CB ARG A 14 -12.090 4.139 -7.420 1.00 0.00 C ATOM 212 CG ARG A 14 -11.418 3.784 -8.755 1.00 0.00 C ATOM 213 CD ARG A 14 -12.365 2.916 -9.591 1.00 0.00 C ATOM 214 NE ARG A 14 -11.830 2.625 -10.930 1.00 0.00 N ATOM 215 CZ ARG A 14 -12.398 1.810 -11.817 1.00 0.00 C ATOM 216 NH1 ARG A 14 -13.572 1.259 -11.607 1.00 0.00 N ATOM 217 NH2 ARG A 14 -11.795 1.516 -12.946 1.00 0.00 N ATOM 0 H ARG A 14 -10.550 2.746 -6.034 1.00 0.00 H new ATOM 0 HA ARG A 14 -10.423 5.397 -6.905 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -12.542 3.241 -7.000 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -12.899 4.846 -7.606 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -11.165 4.694 -9.300 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -10.484 3.251 -8.574 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -12.551 1.979 -9.067 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -13.325 3.423 -9.689 1.00 0.00 H new ATOM 0 HE ARG A 14 -10.959 3.082 -11.199 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -14.078 1.451 -10.742 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -13.977 0.639 -12.309 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -10.879 1.913 -13.153 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -12.243 0.890 -13.615 1.00 0.00 H new ATOM 231 N LYS A 15 -12.466 4.981 -4.320 1.00 0.00 N ATOM 232 CA LYS A 15 -13.100 5.690 -3.193 1.00 0.00 C ATOM 233 C LYS A 15 -12.085 6.497 -2.357 1.00 0.00 C ATOM 234 O LYS A 15 -12.401 7.590 -1.883 1.00 0.00 O ATOM 235 CB LYS A 15 -13.817 4.671 -2.288 1.00 0.00 C ATOM 236 CG LYS A 15 -15.071 4.040 -2.916 1.00 0.00 C ATOM 237 CD LYS A 15 -15.497 2.768 -2.164 1.00 0.00 C ATOM 238 CE LYS A 15 -15.866 3.047 -0.699 1.00 0.00 C ATOM 239 NZ LYS A 15 -15.991 1.791 0.082 1.00 0.00 N ATOM 0 H LYS A 15 -12.494 3.966 -4.225 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.813 6.400 -3.612 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.116 3.877 -2.028 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.100 5.164 -1.358 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.888 4.762 -2.905 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.874 3.798 -3.960 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.351 2.319 -2.671 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.686 2.040 -2.199 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.105 3.683 -0.247 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.807 3.596 -0.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -16.274 2.015 1.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.710 1.180 -0.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.076 1.296 0.092 1.00 0.00 H new ATOM 253 N HIS A 16 -10.860 5.988 -2.213 1.00 0.00 N ATOM 254 CA HIS A 16 -9.805 6.552 -1.359 1.00 0.00 C ATOM 255 C HIS A 16 -8.874 7.566 -2.073 1.00 0.00 C ATOM 256 O HIS A 16 -7.909 8.048 -1.474 1.00 0.00 O ATOM 257 CB HIS A 16 -9.041 5.389 -0.697 1.00 0.00 C ATOM 258 CG HIS A 16 -9.875 4.558 0.256 1.00 0.00 C ATOM 259 ND1 HIS A 16 -11.233 4.729 0.563 1.00 0.00 N ATOM 260 CD2 HIS A 16 -9.404 3.495 0.965 1.00 0.00 C ATOM 261 CE1 HIS A 16 -11.539 3.737 1.415 1.00 0.00 C ATOM 262 NE2 HIS A 16 -10.462 2.985 1.684 1.00 0.00 N ATOM 0 H HIS A 16 -10.562 5.144 -2.702 1.00 0.00 H new ATOM 0 HA HIS A 16 -10.281 7.161 -0.590 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.646 4.739 -1.477 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -8.186 5.793 -0.155 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -8.391 3.122 0.964 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -12.522 3.567 1.829 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -10.432 2.180 2.309 1.00 0.00 H new ATOM 270 N GLY A 17 -9.169 7.923 -3.332 1.00 0.00 N ATOM 271 CA GLY A 17 -8.508 9.015 -4.063 1.00 0.00 C ATOM 272 C GLY A 17 -7.296 8.584 -4.891 1.00 0.00 C ATOM 273 O GLY A 17 -6.330 9.341 -4.993 1.00 0.00 O ATOM 0 H GLY A 17 -9.888 7.452 -3.881 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.236 9.484 -4.725 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -8.192 9.774 -3.348 1.00 0.00 H new ATOM 277 N PHE A 18 -7.326 7.381 -5.468 1.00 0.00 N ATOM 278 CA PHE A 18 -6.312 6.869 -6.395 1.00 0.00 C ATOM 279 C PHE A 18 -6.809 7.046 -7.841 1.00 0.00 C ATOM 280 O PHE A 18 -7.978 6.790 -8.138 1.00 0.00 O ATOM 281 CB PHE A 18 -6.023 5.400 -6.070 1.00 0.00 C ATOM 282 CG PHE A 18 -5.309 5.146 -4.750 1.00 0.00 C ATOM 283 CD1 PHE A 18 -5.932 5.427 -3.519 1.00 0.00 C ATOM 284 CD2 PHE A 18 -4.009 4.607 -4.747 1.00 0.00 C ATOM 285 CE1 PHE A 18 -5.252 5.218 -2.312 1.00 0.00 C ATOM 286 CE2 PHE A 18 -3.332 4.374 -3.537 1.00 0.00 C ATOM 287 CZ PHE A 18 -3.952 4.685 -2.316 1.00 0.00 C ATOM 0 H PHE A 18 -8.080 6.715 -5.298 1.00 0.00 H new ATOM 0 HA PHE A 18 -5.381 7.426 -6.288 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -6.967 4.856 -6.062 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.420 4.980 -6.875 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -6.943 5.807 -3.505 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.526 4.370 -5.684 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.729 5.467 -1.375 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.336 3.956 -3.547 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.432 4.515 -1.385 1.00 0.00 H new ATOM 297 N GLU A 19 -5.931 7.498 -8.741 1.00 0.00 N ATOM 298 CA GLU A 19 -6.301 7.869 -10.113 1.00 0.00 C ATOM 299 C GLU A 19 -6.506 6.636 -11.007 1.00 0.00 C ATOM 300 O GLU A 19 -5.720 5.689 -10.963 1.00 0.00 O ATOM 301 CB GLU A 19 -5.228 8.771 -10.742 1.00 0.00 C ATOM 302 CG GLU A 19 -4.925 10.063 -9.975 1.00 0.00 C ATOM 303 CD GLU A 19 -6.152 10.983 -9.872 1.00 0.00 C ATOM 304 OE1 GLU A 19 -6.509 11.636 -10.880 1.00 0.00 O ATOM 305 OE2 GLU A 19 -6.759 11.067 -8.779 1.00 0.00 O ATOM 0 H GLU A 19 -4.938 7.618 -8.539 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.245 8.410 -10.047 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.305 8.199 -10.835 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.544 9.033 -11.752 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.575 9.814 -8.973 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.115 10.596 -10.472 1.00 0.00 H new ATOM 312 N GLU A 20 -7.531 6.663 -11.865 1.00 0.00 N ATOM 313 CA GLU A 20 -7.889 5.536 -12.741 1.00 0.00 C ATOM 314 C GLU A 20 -6.784 5.140 -13.741 1.00 0.00 C ATOM 315 O GLU A 20 -6.690 3.972 -14.117 1.00 0.00 O ATOM 316 CB GLU A 20 -9.222 5.818 -13.460 1.00 0.00 C ATOM 317 CG GLU A 20 -9.174 6.994 -14.449 1.00 0.00 C ATOM 318 CD GLU A 20 -10.555 7.237 -15.078 1.00 0.00 C ATOM 319 OE1 GLU A 20 -10.853 6.644 -16.142 1.00 0.00 O ATOM 320 OE2 GLU A 20 -11.347 8.030 -14.517 1.00 0.00 O ATOM 0 H GLU A 20 -8.142 7.473 -11.974 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.007 4.670 -12.090 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.528 4.920 -13.997 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.989 6.019 -12.712 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.841 7.895 -13.933 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.445 6.787 -15.232 1.00 0.00 H new ATOM 327 N ASN A 21 -5.906 6.076 -14.129 1.00 0.00 N ATOM 328 CA ASN A 21 -4.750 5.807 -14.994 1.00 0.00 C ATOM 329 C ASN A 21 -3.528 5.246 -14.234 1.00 0.00 C ATOM 330 O ASN A 21 -2.635 4.666 -14.854 1.00 0.00 O ATOM 331 CB ASN A 21 -4.386 7.071 -15.792 1.00 0.00 C ATOM 332 CG ASN A 21 -3.714 8.160 -14.956 1.00 0.00 C ATOM 333 OD1 ASN A 21 -4.118 8.454 -13.840 1.00 0.00 O ATOM 334 ND2 ASN A 21 -2.664 8.780 -15.463 1.00 0.00 N ATOM 0 H ASN A 21 -5.980 7.053 -13.847 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.046 5.018 -15.686 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.722 6.793 -16.610 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.292 7.479 -16.241 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.190 9.504 -14.924 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.327 8.535 -16.394 1.00 0.00 H new ATOM 341 N LEU A 22 -3.494 5.382 -12.900 1.00 0.00 N ATOM 342 CA LEU A 22 -2.475 4.788 -12.024 1.00 0.00 C ATOM 343 C LEU A 22 -2.948 3.473 -11.387 1.00 0.00 C ATOM 344 O LEU A 22 -2.119 2.688 -10.936 1.00 0.00 O ATOM 345 CB LEU A 22 -2.075 5.801 -10.934 1.00 0.00 C ATOM 346 CG LEU A 22 -1.529 7.156 -11.429 1.00 0.00 C ATOM 347 CD1 LEU A 22 -1.136 8.008 -10.215 1.00 0.00 C ATOM 348 CD2 LEU A 22 -0.329 7.015 -12.377 1.00 0.00 C ATOM 0 H LEU A 22 -4.192 5.922 -12.388 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.608 4.548 -12.639 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.946 5.991 -10.307 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.320 5.339 -10.298 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.321 7.637 -12.003 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.749 8.969 -10.555 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.011 8.172 -9.587 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.368 7.490 -9.640 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.007 8.004 -12.688 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.483 6.502 -11.862 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.624 6.439 -13.254 1.00 0.00 H new ATOM 360 N MET A 23 -4.258 3.210 -11.372 1.00 0.00 N ATOM 361 CA MET A 23 -4.902 2.059 -10.718 1.00 0.00 C ATOM 362 C MET A 23 -4.238 0.715 -11.063 1.00 0.00 C ATOM 363 O MET A 23 -3.928 -0.059 -10.155 1.00 0.00 O ATOM 364 CB MET A 23 -6.399 2.096 -11.078 1.00 0.00 C ATOM 365 CG MET A 23 -7.298 1.266 -10.147 1.00 0.00 C ATOM 366 SD MET A 23 -7.215 1.734 -8.405 1.00 0.00 S ATOM 367 CE MET A 23 -7.702 3.471 -8.552 1.00 0.00 C ATOM 0 H MET A 23 -4.932 3.819 -11.836 1.00 0.00 H new ATOM 0 HA MET A 23 -4.779 2.140 -9.638 1.00 0.00 H new ATOM 0 HB2 MET A 23 -6.738 3.132 -11.062 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.523 1.736 -12.099 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.330 1.357 -10.485 1.00 0.00 H new ATOM 0 HG3 MET A 23 -7.023 0.215 -10.241 1.00 0.00 H new ATOM 0 HE1 MET A 23 -8.259 3.769 -7.664 1.00 0.00 H new ATOM 0 HE2 MET A 23 -6.811 4.092 -8.647 1.00 0.00 H new ATOM 0 HE3 MET A 23 -8.329 3.600 -9.434 1.00 0.00 H new ATOM 377 N ARG A 24 -3.914 0.472 -12.342 1.00 0.00 N ATOM 378 CA ARG A 24 -3.185 -0.724 -12.800 1.00 0.00 C ATOM 379 C ARG A 24 -1.825 -0.902 -12.105 1.00 0.00 C ATOM 380 O ARG A 24 -1.522 -1.991 -11.619 1.00 0.00 O ATOM 381 CB ARG A 24 -2.984 -0.679 -14.326 1.00 0.00 C ATOM 382 CG ARG A 24 -4.309 -0.629 -15.103 1.00 0.00 C ATOM 383 CD ARG A 24 -4.103 -0.723 -16.620 1.00 0.00 C ATOM 384 NE ARG A 24 -3.673 -2.073 -17.021 1.00 0.00 N ATOM 385 CZ ARG A 24 -3.250 -2.451 -18.221 1.00 0.00 C ATOM 386 NH1 ARG A 24 -3.151 -1.605 -19.225 1.00 0.00 N ATOM 387 NH2 ARG A 24 -2.913 -3.704 -18.431 1.00 0.00 N ATOM 0 H ARG A 24 -4.154 1.110 -13.100 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.801 -1.582 -12.530 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.385 0.195 -14.583 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.418 -1.557 -14.639 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.950 -1.447 -14.775 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.830 0.299 -14.867 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.031 -0.468 -17.131 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.356 0.006 -16.933 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.703 -2.794 -16.300 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.403 -0.625 -19.093 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.822 -1.929 -20.134 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.977 -4.383 -17.673 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.588 -3.997 -19.352 1.00 0.00 H new ATOM 401 N ASN A 25 -1.025 0.168 -12.000 1.00 0.00 N ATOM 402 CA ASN A 25 0.240 0.157 -11.252 1.00 0.00 C ATOM 403 C ASN A 25 0.000 -0.087 -9.756 1.00 0.00 C ATOM 404 O ASN A 25 0.673 -0.927 -9.163 1.00 0.00 O ATOM 405 CB ASN A 25 1.015 1.472 -11.455 1.00 0.00 C ATOM 406 CG ASN A 25 1.723 1.537 -12.800 1.00 0.00 C ATOM 407 OD1 ASN A 25 2.801 0.982 -12.968 1.00 0.00 O ATOM 408 ND2 ASN A 25 1.157 2.215 -13.782 1.00 0.00 N ATOM 0 H ASN A 25 -1.237 1.067 -12.432 1.00 0.00 H new ATOM 0 HA ASN A 25 0.841 -0.664 -11.643 1.00 0.00 H new ATOM 0 HB2 ASN A 25 0.325 2.312 -11.372 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.749 1.583 -10.657 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.618 2.279 -14.689 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.259 2.674 -13.633 1.00 0.00 H new ATOM 415 N TRP A 26 -0.992 0.585 -9.160 1.00 0.00 N ATOM 416 CA TRP A 26 -1.301 0.470 -7.735 1.00 0.00 C ATOM 417 C TRP A 26 -1.774 -0.934 -7.342 1.00 0.00 C ATOM 418 O TRP A 26 -1.206 -1.513 -6.414 1.00 0.00 O ATOM 419 CB TRP A 26 -2.316 1.549 -7.338 1.00 0.00 C ATOM 420 CG TRP A 26 -1.732 2.909 -7.116 1.00 0.00 C ATOM 421 CD1 TRP A 26 -2.009 4.025 -7.829 1.00 0.00 C ATOM 422 CD2 TRP A 26 -0.812 3.332 -6.061 1.00 0.00 C ATOM 423 NE1 TRP A 26 -1.352 5.107 -7.274 1.00 0.00 N ATOM 424 CE2 TRP A 26 -0.632 4.745 -6.154 1.00 0.00 C ATOM 425 CE3 TRP A 26 -0.134 2.666 -5.015 1.00 0.00 C ATOM 426 CZ2 TRP A 26 0.132 5.466 -5.226 1.00 0.00 C ATOM 427 CZ3 TRP A 26 0.655 3.377 -4.090 1.00 0.00 C ATOM 428 CH2 TRP A 26 0.777 4.774 -4.185 1.00 0.00 C ATOM 0 H TRP A 26 -1.606 1.228 -9.660 1.00 0.00 H new ATOM 0 HA TRP A 26 -0.379 0.633 -7.177 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -3.075 1.618 -8.117 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -2.823 1.233 -6.426 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -2.647 4.064 -8.700 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -1.394 6.056 -7.646 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -0.222 1.594 -4.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 0.224 6.539 -5.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 1.169 2.846 -3.303 1.00 0.00 H new ATOM 0 HH2 TRP A 26 1.366 5.316 -3.459 1.00 0.00 H new ATOM 439 N VAL A 27 -2.741 -1.525 -8.056 1.00 0.00 N ATOM 440 CA VAL A 27 -3.216 -2.882 -7.709 1.00 0.00 C ATOM 441 C VAL A 27 -2.134 -3.938 -7.928 1.00 0.00 C ATOM 442 O VAL A 27 -2.030 -4.863 -7.129 1.00 0.00 O ATOM 443 CB VAL A 27 -4.527 -3.317 -8.400 1.00 0.00 C ATOM 444 CG1 VAL A 27 -5.635 -2.290 -8.159 1.00 0.00 C ATOM 445 CG2 VAL A 27 -4.370 -3.617 -9.899 1.00 0.00 C ATOM 0 H VAL A 27 -3.204 -1.102 -8.860 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.448 -2.811 -6.646 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.810 -4.263 -7.938 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.549 -2.617 -8.655 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.817 -2.196 -7.088 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.330 -1.324 -8.562 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.333 -3.916 -10.313 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.015 -2.724 -10.414 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.650 -4.424 -10.035 1.00 0.00 H new ATOM 455 N CYS A 28 -1.276 -3.780 -8.943 1.00 0.00 N ATOM 456 CA CYS A 28 -0.179 -4.719 -9.199 1.00 0.00 C ATOM 457 C CYS A 28 0.914 -4.614 -8.125 1.00 0.00 C ATOM 458 O CYS A 28 1.324 -5.627 -7.563 1.00 0.00 O ATOM 459 CB CYS A 28 0.349 -4.477 -10.614 1.00 0.00 C ATOM 460 SG CYS A 28 1.238 -5.884 -11.329 1.00 0.00 S ATOM 0 H CYS A 28 -1.322 -3.005 -9.604 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.544 -5.744 -9.138 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.489 -4.224 -11.263 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.013 -3.613 -10.599 1.00 0.00 H new ATOM 0 HG CYS A 28 2.142 -5.451 -12.157 1.00 0.00 H new ATOM 465 N LEU A 29 1.288 -3.384 -7.741 1.00 0.00 N ATOM 466 CA LEU A 29 2.161 -3.089 -6.599 1.00 0.00 C ATOM 467 C LEU A 29 1.599 -3.721 -5.321 1.00 0.00 C ATOM 468 O LEU A 29 2.294 -4.495 -4.671 1.00 0.00 O ATOM 469 CB LEU A 29 2.335 -1.556 -6.524 1.00 0.00 C ATOM 470 CG LEU A 29 3.243 -0.982 -5.415 1.00 0.00 C ATOM 471 CD1 LEU A 29 3.534 0.487 -5.750 1.00 0.00 C ATOM 472 CD2 LEU A 29 2.610 -1.023 -4.015 1.00 0.00 C ATOM 0 H LEU A 29 0.981 -2.544 -8.232 1.00 0.00 H new ATOM 0 HA LEU A 29 3.150 -3.531 -6.720 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.725 -1.217 -7.484 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.346 -1.113 -6.408 1.00 0.00 H new ATOM 0 HG LEU A 29 4.140 -1.601 -5.387 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.175 0.916 -4.980 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.037 0.547 -6.715 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.597 1.043 -5.793 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.306 -0.603 -3.289 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.689 -0.439 -4.015 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.385 -2.055 -3.748 1.00 0.00 H new ATOM 484 N VAL A 30 0.333 -3.457 -4.993 1.00 0.00 N ATOM 485 CA VAL A 30 -0.333 -4.013 -3.801 1.00 0.00 C ATOM 486 C VAL A 30 -0.373 -5.547 -3.826 1.00 0.00 C ATOM 487 O VAL A 30 -0.127 -6.174 -2.796 1.00 0.00 O ATOM 488 CB VAL A 30 -1.751 -3.422 -3.641 1.00 0.00 C ATOM 489 CG1 VAL A 30 -2.619 -4.220 -2.659 1.00 0.00 C ATOM 490 CG2 VAL A 30 -1.666 -1.964 -3.162 1.00 0.00 C ATOM 0 H VAL A 30 -0.268 -2.848 -5.547 1.00 0.00 H new ATOM 0 HA VAL A 30 0.260 -3.724 -2.933 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.223 -3.475 -4.622 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.604 -3.759 -2.586 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.723 -5.245 -3.016 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.147 -4.224 -1.677 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.672 -1.558 -3.053 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.153 -1.926 -2.201 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.113 -1.373 -3.892 1.00 0.00 H new ATOM 500 N GLU A 31 -0.632 -6.160 -4.986 1.00 0.00 N ATOM 501 CA GLU A 31 -0.602 -7.620 -5.144 1.00 0.00 C ATOM 502 C GLU A 31 0.790 -8.217 -4.888 1.00 0.00 C ATOM 503 O GLU A 31 0.905 -9.237 -4.210 1.00 0.00 O ATOM 504 CB GLU A 31 -1.120 -8.027 -6.535 1.00 0.00 C ATOM 505 CG GLU A 31 -2.651 -7.958 -6.610 1.00 0.00 C ATOM 506 CD GLU A 31 -3.224 -8.117 -8.022 1.00 0.00 C ATOM 507 OE1 GLU A 31 -2.527 -8.574 -8.954 1.00 0.00 O ATOM 508 OE2 GLU A 31 -4.435 -7.850 -8.191 1.00 0.00 O ATOM 0 H GLU A 31 -0.868 -5.659 -5.842 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.265 -8.032 -4.384 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.688 -7.371 -7.291 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.789 -9.040 -6.765 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.069 -8.736 -5.972 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.980 -7.002 -6.203 1.00 0.00 H new ATOM 515 N HIS A 32 1.856 -7.566 -5.349 1.00 0.00 N ATOM 516 CA HIS A 32 3.234 -8.023 -5.149 1.00 0.00 C ATOM 517 C HIS A 32 3.856 -7.624 -3.788 1.00 0.00 C ATOM 518 O HIS A 32 4.848 -8.232 -3.378 1.00 0.00 O ATOM 519 CB HIS A 32 4.063 -7.535 -6.342 1.00 0.00 C ATOM 520 CG HIS A 32 3.817 -8.334 -7.598 1.00 0.00 C ATOM 521 ND1 HIS A 32 3.302 -7.840 -8.798 1.00 0.00 N ATOM 522 CD2 HIS A 32 4.069 -9.667 -7.746 1.00 0.00 C ATOM 523 CE1 HIS A 32 3.243 -8.891 -9.632 1.00 0.00 C ATOM 524 NE2 HIS A 32 3.700 -10.002 -9.029 1.00 0.00 N ATOM 0 H HIS A 32 1.789 -6.697 -5.878 1.00 0.00 H new ATOM 0 HA HIS A 32 3.231 -9.112 -5.105 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.832 -6.487 -6.534 1.00 0.00 H new ATOM 0 HB3 HIS A 32 5.122 -7.586 -6.087 1.00 0.00 H new ATOM 0 HD1 HIS A 32 3.027 -6.879 -9.000 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.479 -10.331 -7.000 1.00 0.00 H new ATOM 0 HE1 HIS A 32 2.878 -8.849 -10.648 1.00 0.00 H new ATOM 532 N GLU A 33 3.270 -6.659 -3.067 1.00 0.00 N ATOM 533 CA GLU A 33 3.691 -6.263 -1.715 1.00 0.00 C ATOM 534 C GLU A 33 2.925 -7.038 -0.628 1.00 0.00 C ATOM 535 O GLU A 33 3.542 -7.714 0.194 1.00 0.00 O ATOM 536 CB GLU A 33 3.516 -4.747 -1.511 1.00 0.00 C ATOM 537 CG GLU A 33 4.532 -3.888 -2.280 1.00 0.00 C ATOM 538 CD GLU A 33 5.986 -4.127 -1.843 1.00 0.00 C ATOM 539 OE1 GLU A 33 6.292 -4.014 -0.634 1.00 0.00 O ATOM 540 OE2 GLU A 33 6.835 -4.402 -2.720 1.00 0.00 O ATOM 0 H GLU A 33 2.475 -6.121 -3.413 1.00 0.00 H new ATOM 0 HA GLU A 33 4.748 -6.512 -1.620 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.510 -4.464 -1.820 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.598 -4.523 -0.448 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.441 -4.098 -3.346 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.286 -2.835 -2.140 1.00 0.00 H new ATOM 547 N SER A 34 1.589 -6.972 -0.618 1.00 0.00 N ATOM 548 CA SER A 34 0.749 -7.486 0.482 1.00 0.00 C ATOM 549 C SER A 34 -0.337 -8.467 0.012 1.00 0.00 C ATOM 550 O SER A 34 -1.188 -8.868 0.800 1.00 0.00 O ATOM 551 CB SER A 34 0.074 -6.326 1.228 1.00 0.00 C ATOM 552 OG SER A 34 0.980 -5.280 1.522 1.00 0.00 O ATOM 0 H SER A 34 1.050 -6.557 -1.378 1.00 0.00 H new ATOM 0 HA SER A 34 1.424 -8.030 1.143 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.745 -5.936 0.624 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.362 -6.698 2.155 1.00 0.00 H new ATOM 0 HG SER A 34 1.110 -4.726 0.724 1.00 0.00 H new ATOM 558 N SER A 35 -0.362 -8.831 -1.273 1.00 0.00 N ATOM 559 CA SER A 35 -1.298 -9.802 -1.869 1.00 0.00 C ATOM 560 C SER A 35 -2.780 -9.396 -1.755 1.00 0.00 C ATOM 561 O SER A 35 -3.669 -10.251 -1.781 1.00 0.00 O ATOM 562 CB SER A 35 -1.095 -11.214 -1.300 1.00 0.00 C ATOM 563 OG SER A 35 0.274 -11.597 -1.202 1.00 0.00 O ATOM 0 H SER A 35 0.291 -8.446 -1.956 1.00 0.00 H new ATOM 0 HA SER A 35 -1.054 -9.805 -2.931 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.550 -11.267 -0.311 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.620 -11.930 -1.932 1.00 0.00 H new ATOM 0 HG SER A 35 0.354 -12.564 -1.337 1.00 0.00 H new ATOM 569 N ARG A 36 -3.044 -8.092 -1.589 1.00 0.00 N ATOM 570 CA ARG A 36 -4.373 -7.509 -1.343 1.00 0.00 C ATOM 571 C ARG A 36 -4.950 -7.882 0.041 1.00 0.00 C ATOM 572 O ARG A 36 -6.165 -7.867 0.224 1.00 0.00 O ATOM 573 CB ARG A 36 -5.382 -7.839 -2.466 1.00 0.00 C ATOM 574 CG ARG A 36 -4.803 -7.795 -3.889 1.00 0.00 C ATOM 575 CD ARG A 36 -5.904 -7.814 -4.959 1.00 0.00 C ATOM 576 NE ARG A 36 -6.589 -9.117 -4.972 1.00 0.00 N ATOM 577 CZ ARG A 36 -6.558 -10.057 -5.908 1.00 0.00 C ATOM 578 NH1 ARG A 36 -5.969 -9.895 -7.075 1.00 0.00 N ATOM 579 NH2 ARG A 36 -7.146 -11.209 -5.671 1.00 0.00 N ATOM 0 H ARG A 36 -2.309 -7.386 -1.624 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.216 -6.430 -1.345 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.791 -8.833 -2.286 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.213 -7.137 -2.406 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.199 -6.896 -4.007 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.139 -8.647 -4.037 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.624 -7.020 -4.762 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.470 -7.615 -5.939 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.163 -9.324 -4.154 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.507 -9.013 -7.295 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.975 -10.652 -7.759 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.616 -11.368 -4.780 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.133 -11.944 -6.379 1.00 0.00 H new ATOM 593 N ASP A 37 -4.100 -8.193 1.022 1.00 0.00 N ATOM 594 CA ASP A 37 -4.463 -8.636 2.379 1.00 0.00 C ATOM 595 C ASP A 37 -3.957 -7.647 3.439 1.00 0.00 C ATOM 596 O ASP A 37 -2.747 -7.431 3.564 1.00 0.00 O ATOM 597 CB ASP A 37 -3.874 -10.033 2.635 1.00 0.00 C ATOM 598 CG ASP A 37 -4.149 -10.589 4.047 1.00 0.00 C ATOM 599 OD1 ASP A 37 -5.025 -10.054 4.769 1.00 0.00 O ATOM 600 OD2 ASP A 37 -3.458 -11.561 4.432 1.00 0.00 O ATOM 0 H ASP A 37 -3.090 -8.142 0.890 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.550 -8.677 2.452 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.281 -10.726 1.899 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.796 -9.995 2.476 1.00 0.00 H new ATOM 605 N THR A 38 -4.881 -7.046 4.204 1.00 0.00 N ATOM 606 CA THR A 38 -4.520 -6.075 5.254 1.00 0.00 C ATOM 607 C THR A 38 -3.787 -6.729 6.417 1.00 0.00 C ATOM 608 O THR A 38 -2.994 -6.064 7.073 1.00 0.00 O ATOM 609 CB THR A 38 -5.708 -5.272 5.802 1.00 0.00 C ATOM 610 OG1 THR A 38 -6.701 -6.116 6.321 1.00 0.00 O ATOM 611 CG2 THR A 38 -6.372 -4.388 4.756 1.00 0.00 C ATOM 0 H THR A 38 -5.883 -7.214 4.117 1.00 0.00 H new ATOM 0 HA THR A 38 -3.855 -5.376 4.747 1.00 0.00 H new ATOM 0 HB THR A 38 -5.280 -4.643 6.582 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.307 -5.597 6.890 1.00 0.00 H new ATOM 0 HG21 THR A 38 -7.203 -3.849 5.210 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.645 -3.674 4.368 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.744 -5.007 3.939 1.00 0.00 H new ATOM 619 N SER A 39 -3.980 -8.025 6.662 1.00 0.00 N ATOM 620 CA SER A 39 -3.323 -8.753 7.751 1.00 0.00 C ATOM 621 C SER A 39 -1.837 -9.071 7.481 1.00 0.00 C ATOM 622 O SER A 39 -1.144 -9.556 8.379 1.00 0.00 O ATOM 623 CB SER A 39 -4.073 -10.066 8.018 1.00 0.00 C ATOM 624 OG SER A 39 -5.433 -9.864 8.387 1.00 0.00 O ATOM 0 H SER A 39 -4.604 -8.607 6.104 1.00 0.00 H new ATOM 0 HA SER A 39 -3.353 -8.095 8.619 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.033 -10.689 7.124 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.564 -10.614 8.811 1.00 0.00 H new ATOM 0 HG SER A 39 -5.862 -10.731 8.543 1.00 0.00 H new ATOM 630 N LYS A 40 -1.323 -8.831 6.266 1.00 0.00 N ATOM 631 CA LYS A 40 0.029 -9.252 5.878 1.00 0.00 C ATOM 632 C LYS A 40 1.139 -8.386 6.514 1.00 0.00 C ATOM 633 O LYS A 40 1.068 -7.151 6.512 1.00 0.00 O ATOM 634 CB LYS A 40 0.130 -9.316 4.340 1.00 0.00 C ATOM 635 CG LYS A 40 1.415 -10.050 3.899 1.00 0.00 C ATOM 636 CD LYS A 40 1.336 -10.789 2.556 1.00 0.00 C ATOM 637 CE LYS A 40 0.327 -11.947 2.589 1.00 0.00 C ATOM 638 NZ LYS A 40 0.479 -12.835 1.407 1.00 0.00 N ATOM 0 H LYS A 40 -1.831 -8.342 5.529 1.00 0.00 H new ATOM 0 HA LYS A 40 0.199 -10.252 6.276 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.743 -9.829 3.936 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.125 -8.306 3.929 1.00 0.00 H new ATOM 0 HG2 LYS A 40 2.225 -9.323 3.845 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.683 -10.769 4.673 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.054 -10.086 1.772 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.322 -11.176 2.297 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.467 -12.527 3.501 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.687 -11.547 2.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.270 -13.556 1.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.406 -12.270 0.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.408 -13.301 1.440 1.00 0.00 H new ATOM 652 N THR A 41 2.195 -9.052 6.996 1.00 0.00 N ATOM 653 CA THR A 41 3.386 -8.472 7.646 1.00 0.00 C ATOM 654 C THR A 41 4.660 -9.175 7.205 1.00 0.00 C ATOM 655 O THR A 41 4.637 -10.346 6.821 1.00 0.00 O ATOM 656 CB THR A 41 3.300 -8.542 9.182 1.00 0.00 C ATOM 657 OG1 THR A 41 2.878 -9.832 9.577 1.00 0.00 O ATOM 658 CG2 THR A 41 2.361 -7.510 9.799 1.00 0.00 C ATOM 0 H THR A 41 2.248 -10.069 6.942 1.00 0.00 H new ATOM 0 HA THR A 41 3.415 -7.427 7.337 1.00 0.00 H new ATOM 0 HB THR A 41 4.302 -8.319 9.548 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.826 -9.874 10.555 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.356 -7.625 10.883 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.703 -6.507 9.542 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.352 -7.660 9.414 1.00 0.00 H new ATOM 666 N ASN A 42 5.781 -8.457 7.297 1.00 0.00 N ATOM 667 CA ASN A 42 7.119 -8.936 6.934 1.00 0.00 C ATOM 668 C ASN A 42 8.213 -8.267 7.789 1.00 0.00 C ATOM 669 O ASN A 42 8.248 -7.039 7.896 1.00 0.00 O ATOM 670 CB ASN A 42 7.373 -8.659 5.441 1.00 0.00 C ATOM 671 CG ASN A 42 6.646 -9.624 4.509 1.00 0.00 C ATOM 672 OD1 ASN A 42 7.082 -10.748 4.289 1.00 0.00 O ATOM 673 ND2 ASN A 42 5.543 -9.207 3.914 1.00 0.00 N ATOM 0 H ASN A 42 5.784 -7.495 7.637 1.00 0.00 H new ATOM 0 HA ASN A 42 7.162 -10.008 7.125 1.00 0.00 H new ATOM 0 HB2 ASN A 42 7.061 -7.640 5.211 1.00 0.00 H new ATOM 0 HB3 ASN A 42 8.444 -8.716 5.246 1.00 0.00 H new ATOM 0 HD21 ASN A 42 5.049 -9.822 3.267 1.00 0.00 H new ATOM 0 HD22 ASN A 42 5.185 -8.270 4.101 1.00 0.00 H new ATOM 680 N THR A 43 9.108 -9.059 8.395 1.00 0.00 N ATOM 681 CA THR A 43 10.218 -8.585 9.250 1.00 0.00 C ATOM 682 C THR A 43 11.464 -8.313 8.408 1.00 0.00 C ATOM 683 O THR A 43 11.741 -9.034 7.449 1.00 0.00 O ATOM 684 CB THR A 43 10.522 -9.611 10.350 1.00 0.00 C ATOM 685 OG1 THR A 43 9.318 -9.928 11.017 1.00 0.00 O ATOM 686 CG2 THR A 43 11.490 -9.077 11.409 1.00 0.00 C ATOM 0 H THR A 43 9.084 -10.075 8.305 1.00 0.00 H new ATOM 0 HA THR A 43 9.915 -7.652 9.724 1.00 0.00 H new ATOM 0 HB THR A 43 10.977 -10.474 9.863 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.498 -10.585 11.722 1.00 0.00 H new ATOM 0 HG21 THR A 43 11.667 -9.846 12.161 1.00 0.00 H new ATOM 0 HG22 THR A 43 12.434 -8.807 10.936 1.00 0.00 H new ATOM 0 HG23 THR A 43 11.058 -8.197 11.886 1.00 0.00 H new ATOM 694 N ASN A 44 12.222 -7.282 8.779 1.00 0.00 N ATOM 695 CA ASN A 44 13.433 -6.817 8.094 1.00 0.00 C ATOM 696 C ASN A 44 14.705 -7.125 8.903 1.00 0.00 C ATOM 697 O ASN A 44 14.666 -7.264 10.130 1.00 0.00 O ATOM 698 CB ASN A 44 13.327 -5.301 7.843 1.00 0.00 C ATOM 699 CG ASN A 44 12.117 -4.924 6.995 1.00 0.00 C ATOM 700 OD1 ASN A 44 12.188 -4.852 5.774 1.00 0.00 O ATOM 701 ND2 ASN A 44 10.987 -4.671 7.626 1.00 0.00 N ATOM 0 H ASN A 44 12.001 -6.721 9.602 1.00 0.00 H new ATOM 0 HA ASN A 44 13.510 -7.350 7.147 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.270 -4.782 8.800 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.234 -4.955 7.347 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.155 -4.411 7.097 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.945 -4.736 8.643 1.00 0.00 H new ATOM 708 N ARG A 45 15.860 -7.148 8.224 1.00 0.00 N ATOM 709 CA ARG A 45 17.186 -7.394 8.834 1.00 0.00 C ATOM 710 C ARG A 45 17.589 -6.328 9.871 1.00 0.00 C ATOM 711 O ARG A 45 18.374 -6.602 10.779 1.00 0.00 O ATOM 712 CB ARG A 45 18.267 -7.489 7.742 1.00 0.00 C ATOM 713 CG ARG A 45 17.960 -8.586 6.713 1.00 0.00 C ATOM 714 CD ARG A 45 19.114 -8.761 5.719 1.00 0.00 C ATOM 715 NE ARG A 45 18.804 -9.788 4.706 1.00 0.00 N ATOM 716 CZ ARG A 45 18.961 -11.103 4.824 1.00 0.00 C ATOM 717 NH1 ARG A 45 19.428 -11.662 5.922 1.00 0.00 N ATOM 718 NH2 ARG A 45 18.640 -11.888 3.819 1.00 0.00 N ATOM 0 H ARG A 45 15.906 -6.994 7.217 1.00 0.00 H new ATOM 0 HA ARG A 45 17.105 -8.341 9.367 1.00 0.00 H new ATOM 0 HB2 ARG A 45 18.351 -6.529 7.232 1.00 0.00 H new ATOM 0 HB3 ARG A 45 19.233 -7.689 8.206 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.776 -9.529 7.228 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.047 -8.335 6.172 1.00 0.00 H new ATOM 0 HD2 ARG A 45 19.317 -7.811 5.225 1.00 0.00 H new ATOM 0 HD3 ARG A 45 20.020 -9.041 6.257 1.00 0.00 H new ATOM 0 HE ARG A 45 18.428 -9.453 3.819 1.00 0.00 H new ATOM 0 HH11 ARG A 45 19.684 -11.082 6.721 1.00 0.00 H new ATOM 0 HH12 ARG A 45 19.534 -12.675 5.973 1.00 0.00 H new ATOM 0 HH21 ARG A 45 18.273 -11.487 2.956 1.00 0.00 H new ATOM 0 HH22 ARG A 45 18.758 -12.898 3.903 1.00 0.00 H new ATOM 732 N ASN A 46 17.011 -5.128 9.762 1.00 0.00 N ATOM 733 CA ASN A 46 17.197 -4.003 10.691 1.00 0.00 C ATOM 734 C ASN A 46 16.394 -4.135 12.009 1.00 0.00 C ATOM 735 O ASN A 46 16.553 -3.306 12.909 1.00 0.00 O ATOM 736 CB ASN A 46 16.830 -2.696 9.963 1.00 0.00 C ATOM 737 CG ASN A 46 17.690 -2.452 8.725 1.00 0.00 C ATOM 738 OD1 ASN A 46 17.385 -2.918 7.633 1.00 0.00 O ATOM 739 ND2 ASN A 46 18.790 -1.731 8.859 1.00 0.00 N ATOM 0 H ASN A 46 16.376 -4.902 8.996 1.00 0.00 H new ATOM 0 HA ASN A 46 18.245 -4.001 10.992 1.00 0.00 H new ATOM 0 HB2 ASN A 46 15.780 -2.730 9.671 1.00 0.00 H new ATOM 0 HB3 ASN A 46 16.943 -1.858 10.650 1.00 0.00 H new ATOM 0 HD21 ASN A 46 19.389 -1.560 8.052 1.00 0.00 H new ATOM 0 HD22 ASN A 46 19.039 -1.345 9.770 1.00 0.00 H new ATOM 746 N GLY A 47 15.519 -5.147 12.132 1.00 0.00 N ATOM 747 CA GLY A 47 14.665 -5.400 13.307 1.00 0.00 C ATOM 748 C GLY A 47 13.302 -4.698 13.267 1.00 0.00 C ATOM 749 O GLY A 47 12.487 -4.898 14.168 1.00 0.00 O ATOM 0 H GLY A 47 15.381 -5.835 11.392 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.504 -6.474 13.398 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.198 -5.081 14.203 1.00 0.00 H new ATOM 753 N SER A 48 13.032 -3.896 12.239 1.00 0.00 N ATOM 754 CA SER A 48 11.718 -3.305 11.956 1.00 0.00 C ATOM 755 C SER A 48 10.814 -4.278 11.179 1.00 0.00 C ATOM 756 O SER A 48 11.275 -5.248 10.567 1.00 0.00 O ATOM 757 CB SER A 48 11.913 -1.992 11.180 1.00 0.00 C ATOM 758 OG SER A 48 12.663 -2.200 9.987 1.00 0.00 O ATOM 0 H SER A 48 13.741 -3.629 11.556 1.00 0.00 H new ATOM 0 HA SER A 48 11.216 -3.096 12.901 1.00 0.00 H new ATOM 0 HB2 SER A 48 10.941 -1.567 10.931 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.425 -1.267 11.812 1.00 0.00 H new ATOM 0 HG SER A 48 12.769 -1.348 9.515 1.00 0.00 H new ATOM 764 N LYS A 49 9.509 -4.014 11.167 1.00 0.00 N ATOM 765 CA LYS A 49 8.501 -4.812 10.463 1.00 0.00 C ATOM 766 C LYS A 49 7.622 -3.922 9.569 1.00 0.00 C ATOM 767 O LYS A 49 7.424 -2.731 9.827 1.00 0.00 O ATOM 768 CB LYS A 49 7.681 -5.624 11.490 1.00 0.00 C ATOM 769 CG LYS A 49 6.996 -6.878 10.919 1.00 0.00 C ATOM 770 CD LYS A 49 6.006 -7.515 11.910 1.00 0.00 C ATOM 771 CE LYS A 49 6.620 -7.919 13.259 1.00 0.00 C ATOM 772 NZ LYS A 49 7.507 -9.106 13.143 1.00 0.00 N ATOM 0 H LYS A 49 9.110 -3.216 11.661 1.00 0.00 H new ATOM 0 HA LYS A 49 8.992 -5.520 9.795 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.340 -5.926 12.304 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.919 -4.975 11.921 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.468 -6.614 10.003 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.756 -7.611 10.648 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.192 -6.813 12.092 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.567 -8.399 11.447 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.189 -7.081 13.662 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.822 -8.133 13.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.182 -9.114 13.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.933 -9.973 13.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.028 -9.063 12.244 1.00 0.00 H new ATOM 786 N ASP A 50 7.112 -4.528 8.506 1.00 0.00 N ATOM 787 CA ASP A 50 6.210 -3.947 7.520 1.00 0.00 C ATOM 788 C ASP A 50 4.769 -4.391 7.811 1.00 0.00 C ATOM 789 O ASP A 50 4.559 -5.536 8.209 1.00 0.00 O ATOM 790 CB ASP A 50 6.614 -4.443 6.125 1.00 0.00 C ATOM 791 CG ASP A 50 8.043 -4.097 5.662 1.00 0.00 C ATOM 792 OD1 ASP A 50 8.757 -3.317 6.336 1.00 0.00 O ATOM 793 OD2 ASP A 50 8.457 -4.642 4.613 1.00 0.00 O ATOM 0 H ASP A 50 7.331 -5.502 8.295 1.00 0.00 H new ATOM 0 HA ASP A 50 6.270 -2.860 7.566 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.500 -5.527 6.102 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.911 -4.033 5.400 1.00 0.00 H new ATOM 798 N TYR A 51 3.785 -3.510 7.603 1.00 0.00 N ATOM 799 CA TYR A 51 2.386 -3.706 8.012 1.00 0.00 C ATOM 800 C TYR A 51 1.377 -3.166 6.982 1.00 0.00 C ATOM 801 O TYR A 51 1.618 -2.153 6.319 1.00 0.00 O ATOM 802 CB TYR A 51 2.143 -2.978 9.344 1.00 0.00 C ATOM 803 CG TYR A 51 2.975 -3.430 10.526 1.00 0.00 C ATOM 804 CD1 TYR A 51 4.250 -2.871 10.736 1.00 0.00 C ATOM 805 CD2 TYR A 51 2.439 -4.320 11.474 1.00 0.00 C ATOM 806 CE1 TYR A 51 4.984 -3.194 11.889 1.00 0.00 C ATOM 807 CE2 TYR A 51 3.168 -4.650 12.632 1.00 0.00 C ATOM 808 CZ TYR A 51 4.442 -4.081 12.848 1.00 0.00 C ATOM 809 OH TYR A 51 5.143 -4.392 13.976 1.00 0.00 O ATOM 0 H TYR A 51 3.941 -2.618 7.134 1.00 0.00 H new ATOM 0 HA TYR A 51 2.231 -4.781 8.103 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.322 -1.914 9.188 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.091 -3.089 9.606 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.665 -2.191 10.007 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.463 -4.753 11.313 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.963 -2.765 12.043 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.753 -5.338 13.354 1.00 0.00 H new ATOM 0 HH TYR A 51 4.621 -5.014 14.525 1.00 0.00 H new ATOM 819 N GLY A 52 0.212 -3.813 6.880 1.00 0.00 N ATOM 820 CA GLY A 52 -0.909 -3.338 6.062 1.00 0.00 C ATOM 821 C GLY A 52 -0.709 -3.546 4.564 1.00 0.00 C ATOM 822 O GLY A 52 0.299 -4.089 4.122 1.00 0.00 O ATOM 0 H GLY A 52 0.019 -4.688 7.367 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.818 -3.854 6.373 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.063 -2.276 6.255 1.00 0.00 H new ATOM 826 N LEU A 53 -1.673 -3.072 3.773 1.00 0.00 N ATOM 827 CA LEU A 53 -1.793 -3.368 2.337 1.00 0.00 C ATOM 828 C LEU A 53 -0.696 -2.814 1.417 1.00 0.00 C ATOM 829 O LEU A 53 -0.581 -3.234 0.266 1.00 0.00 O ATOM 830 CB LEU A 53 -3.152 -2.825 1.863 1.00 0.00 C ATOM 831 CG LEU A 53 -3.804 -3.777 0.855 1.00 0.00 C ATOM 832 CD1 LEU A 53 -4.594 -4.844 1.599 1.00 0.00 C ATOM 833 CD2 LEU A 53 -4.752 -3.033 -0.072 1.00 0.00 C ATOM 0 H LEU A 53 -2.411 -2.457 4.117 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.690 -4.450 2.256 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.812 -2.690 2.720 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.016 -1.844 1.407 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.011 -4.230 0.261 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.057 -5.521 0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.923 -5.407 2.248 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.368 -4.369 2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.199 -3.735 -0.776 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.538 -2.559 0.516 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.200 -2.271 -0.622 1.00 0.00 H new ATOM 845 N PHE A 54 0.119 -1.899 1.929 1.00 0.00 N ATOM 846 CA PHE A 54 1.266 -1.318 1.231 1.00 0.00 C ATOM 847 C PHE A 54 2.595 -1.689 1.919 1.00 0.00 C ATOM 848 O PHE A 54 3.604 -1.037 1.665 1.00 0.00 O ATOM 849 CB PHE A 54 1.041 0.200 1.098 1.00 0.00 C ATOM 850 CG PHE A 54 -0.217 0.591 0.340 1.00 0.00 C ATOM 851 CD1 PHE A 54 -1.457 0.637 1.006 1.00 0.00 C ATOM 852 CD2 PHE A 54 -0.154 0.919 -1.028 1.00 0.00 C ATOM 853 CE1 PHE A 54 -2.626 0.992 0.315 1.00 0.00 C ATOM 854 CE2 PHE A 54 -1.323 1.297 -1.714 1.00 0.00 C ATOM 855 CZ PHE A 54 -2.559 1.331 -1.045 1.00 0.00 C ATOM 0 H PHE A 54 -0.002 -1.527 2.871 1.00 0.00 H new ATOM 0 HA PHE A 54 1.348 -1.735 0.227 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.998 0.636 2.096 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.903 0.639 0.595 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.509 0.397 2.058 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.791 0.880 -1.550 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.576 1.004 0.829 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.270 1.562 -2.760 1.00 0.00 H new ATOM 0 HZ PHE A 54 -3.455 1.617 -1.576 1.00 0.00 H new ATOM 865 N GLN A 55 2.595 -2.702 2.804 1.00 0.00 N ATOM 866 CA GLN A 55 3.749 -3.169 3.588 1.00 0.00 C ATOM 867 C GLN A 55 4.550 -1.991 4.197 1.00 0.00 C ATOM 868 O GLN A 55 5.738 -1.797 3.933 1.00 0.00 O ATOM 869 CB GLN A 55 4.632 -4.129 2.749 1.00 0.00 C ATOM 870 CG GLN A 55 4.104 -5.554 2.543 1.00 0.00 C ATOM 871 CD GLN A 55 3.541 -6.211 3.803 1.00 0.00 C ATOM 872 OE1 GLN A 55 4.261 -6.736 4.641 1.00 0.00 O ATOM 873 NE2 GLN A 55 2.241 -6.194 3.999 1.00 0.00 N ATOM 0 H GLN A 55 1.751 -3.241 3.000 1.00 0.00 H new ATOM 0 HA GLN A 55 3.373 -3.741 4.436 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.786 -3.679 1.768 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.610 -4.195 3.226 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.325 -5.532 1.781 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.912 -6.175 2.155 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.627 -5.760 3.310 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.847 -6.615 4.840 1.00 0.00 H new ATOM 882 N ILE A 56 3.874 -1.152 4.984 1.00 0.00 N ATOM 883 CA ILE A 56 4.408 0.117 5.498 1.00 0.00 C ATOM 884 C ILE A 56 5.249 -0.140 6.753 1.00 0.00 C ATOM 885 O ILE A 56 4.802 -0.835 7.665 1.00 0.00 O ATOM 886 CB ILE A 56 3.264 1.128 5.764 1.00 0.00 C ATOM 887 CG1 ILE A 56 2.302 1.202 4.554 1.00 0.00 C ATOM 888 CG2 ILE A 56 3.866 2.507 6.042 1.00 0.00 C ATOM 889 CD1 ILE A 56 1.199 2.258 4.640 1.00 0.00 C ATOM 0 H ILE A 56 2.919 -1.337 5.290 1.00 0.00 H new ATOM 0 HA ILE A 56 5.058 0.562 4.745 1.00 0.00 H new ATOM 0 HB ILE A 56 2.692 0.795 6.630 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.891 1.393 3.657 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.834 0.226 4.426 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.065 3.222 6.230 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.515 2.451 6.916 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.447 2.831 5.179 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.587 2.219 3.739 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.575 2.062 5.512 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.648 3.247 4.731 1.00 0.00 H new ATOM 901 N ASN A 57 6.461 0.415 6.809 1.00 0.00 N ATOM 902 CA ASN A 57 7.445 0.089 7.842 1.00 0.00 C ATOM 903 C ASN A 57 7.394 1.041 9.051 1.00 0.00 C ATOM 904 O ASN A 57 7.304 2.265 8.900 1.00 0.00 O ATOM 905 CB ASN A 57 8.835 0.089 7.204 1.00 0.00 C ATOM 906 CG ASN A 57 9.906 -0.409 8.163 1.00 0.00 C ATOM 907 OD1 ASN A 57 10.443 0.345 8.962 1.00 0.00 O ATOM 908 ND2 ASN A 57 10.246 -1.678 8.112 1.00 0.00 N ATOM 0 H ASN A 57 6.789 1.107 6.135 1.00 0.00 H new ATOM 0 HA ASN A 57 7.206 -0.898 8.238 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.825 -0.541 6.314 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.083 1.099 6.877 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.962 -2.040 8.742 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.793 -2.301 7.443 1.00 0.00 H new ATOM 915 N ASP A 58 7.512 0.467 10.251 1.00 0.00 N ATOM 916 CA ASP A 58 7.397 1.177 11.537 1.00 0.00 C ATOM 917 C ASP A 58 8.501 2.211 11.853 1.00 0.00 C ATOM 918 O ASP A 58 8.377 2.993 12.800 1.00 0.00 O ATOM 919 CB ASP A 58 7.280 0.175 12.689 1.00 0.00 C ATOM 920 CG ASP A 58 8.607 -0.511 13.068 1.00 0.00 C ATOM 921 OD1 ASP A 58 9.422 0.089 13.806 1.00 0.00 O ATOM 922 OD2 ASP A 58 8.817 -1.671 12.646 1.00 0.00 O ATOM 0 H ASP A 58 7.695 -0.530 10.363 1.00 0.00 H new ATOM 0 HA ASP A 58 6.488 1.770 11.430 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.887 0.691 13.565 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.553 -0.590 12.417 1.00 0.00 H new ATOM 927 N ARG A 59 9.588 2.218 11.075 1.00 0.00 N ATOM 928 CA ARG A 59 10.735 3.105 11.278 1.00 0.00 C ATOM 929 C ARG A 59 10.523 4.500 10.672 1.00 0.00 C ATOM 930 O ARG A 59 11.186 5.449 11.093 1.00 0.00 O ATOM 931 CB ARG A 59 11.981 2.416 10.698 1.00 0.00 C ATOM 932 CG ARG A 59 13.287 3.057 11.176 1.00 0.00 C ATOM 933 CD ARG A 59 14.484 2.167 10.833 1.00 0.00 C ATOM 934 NE ARG A 59 15.683 2.634 11.542 1.00 0.00 N ATOM 935 CZ ARG A 59 16.727 3.287 11.039 1.00 0.00 C ATOM 936 NH1 ARG A 59 16.821 3.597 9.763 1.00 0.00 N ATOM 937 NH2 ARG A 59 17.711 3.644 11.835 1.00 0.00 N ATOM 0 H ARG A 59 9.696 1.597 10.273 1.00 0.00 H new ATOM 0 HA ARG A 59 10.865 3.276 12.347 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.973 1.363 10.980 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.939 2.455 9.609 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.410 4.035 10.711 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.245 3.220 12.253 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.269 1.134 11.108 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.660 2.181 9.757 1.00 0.00 H new ATOM 0 HE ARG A 59 15.719 2.433 12.541 1.00 0.00 H new ATOM 0 HH11 ARG A 59 16.075 3.335 9.118 1.00 0.00 H new ATOM 0 HH12 ARG A 59 17.640 4.099 9.419 1.00 0.00 H new ATOM 0 HH21 ARG A 59 17.670 3.420 12.829 1.00 0.00 H new ATOM 0 HH22 ARG A 59 18.516 4.145 11.458 1.00 0.00 H new ATOM 951 N TYR A 60 9.571 4.658 9.746 1.00 0.00 N ATOM 952 CA TYR A 60 9.451 5.857 8.904 1.00 0.00 C ATOM 953 C TYR A 60 8.044 6.476 8.843 1.00 0.00 C ATOM 954 O TYR A 60 7.859 7.632 9.228 1.00 0.00 O ATOM 955 CB TYR A 60 9.920 5.470 7.485 1.00 0.00 C ATOM 956 CG TYR A 60 11.306 4.848 7.412 1.00 0.00 C ATOM 957 CD1 TYR A 60 12.430 5.542 7.903 1.00 0.00 C ATOM 958 CD2 TYR A 60 11.466 3.548 6.888 1.00 0.00 C ATOM 959 CE1 TYR A 60 13.705 4.945 7.870 1.00 0.00 C ATOM 960 CE2 TYR A 60 12.740 2.948 6.846 1.00 0.00 C ATOM 961 CZ TYR A 60 13.864 3.646 7.338 1.00 0.00 C ATOM 962 OH TYR A 60 15.098 3.068 7.314 1.00 0.00 O ATOM 0 H TYR A 60 8.857 3.954 9.557 1.00 0.00 H new ATOM 0 HA TYR A 60 10.069 6.633 9.355 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.201 4.769 7.060 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.905 6.362 6.858 1.00 0.00 H new ATOM 0 HD1 TYR A 60 12.313 6.537 8.307 1.00 0.00 H new ATOM 0 HD2 TYR A 60 10.607 3.009 6.517 1.00 0.00 H new ATOM 0 HE1 TYR A 60 14.562 5.481 8.252 1.00 0.00 H new ATOM 0 HE2 TYR A 60 12.857 1.955 6.438 1.00 0.00 H new ATOM 0 HH TYR A 60 15.033 2.174 6.917 1.00 0.00 H new ATOM 972 N TRP A 61 7.055 5.708 8.381 1.00 0.00 N ATOM 973 CA TRP A 61 5.738 6.228 7.996 1.00 0.00 C ATOM 974 C TRP A 61 4.656 5.974 9.056 1.00 0.00 C ATOM 975 O TRP A 61 3.984 6.914 9.484 1.00 0.00 O ATOM 976 CB TRP A 61 5.384 5.590 6.646 1.00 0.00 C ATOM 977 CG TRP A 61 6.451 5.619 5.591 1.00 0.00 C ATOM 978 CD1 TRP A 61 7.097 4.530 5.115 1.00 0.00 C ATOM 979 CD2 TRP A 61 7.008 6.760 4.865 1.00 0.00 C ATOM 980 NE1 TRP A 61 8.032 4.916 4.175 1.00 0.00 N ATOM 981 CE2 TRP A 61 8.002 6.276 3.960 1.00 0.00 C ATOM 982 CE3 TRP A 61 6.756 8.150 4.852 1.00 0.00 C ATOM 983 CZ2 TRP A 61 8.704 7.123 3.088 1.00 0.00 C ATOM 984 CZ3 TRP A 61 7.453 9.008 3.979 1.00 0.00 C ATOM 985 CH2 TRP A 61 8.423 8.499 3.097 1.00 0.00 C ATOM 0 H TRP A 61 7.145 4.699 8.262 1.00 0.00 H new ATOM 0 HA TRP A 61 5.782 7.314 7.911 1.00 0.00 H new ATOM 0 HB2 TRP A 61 5.107 4.551 6.822 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.501 6.093 6.252 1.00 0.00 H new ATOM 0 HD1 TRP A 61 6.910 3.512 5.424 1.00 0.00 H new ATOM 0 HE1 TRP A 61 8.666 4.274 3.699 1.00 0.00 H new ATOM 0 HE3 TRP A 61 6.016 8.562 5.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 9.451 6.722 2.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 7.240 10.067 3.987 1.00 0.00 H new ATOM 0 HH2 TRP A 61 8.950 9.164 2.429 1.00 0.00 H new ATOM 996 N CYS A 62 4.528 4.725 9.517 1.00 0.00 N ATOM 997 CA CYS A 62 3.691 4.325 10.656 1.00 0.00 C ATOM 998 C CYS A 62 4.514 4.089 11.936 1.00 0.00 C ATOM 999 O CYS A 62 5.727 3.935 11.880 1.00 0.00 O ATOM 1000 CB CYS A 62 2.875 3.080 10.281 1.00 0.00 C ATOM 1001 SG CYS A 62 3.821 1.738 9.518 1.00 0.00 S ATOM 0 H CYS A 62 5.020 3.938 9.094 1.00 0.00 H new ATOM 0 HA CYS A 62 3.011 5.147 10.880 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.393 2.697 11.180 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.081 3.378 9.596 1.00 0.00 H new ATOM 0 HG CYS A 62 3.026 0.745 9.249 1.00 0.00 H new ATOM 1006 N SER A 63 3.851 4.068 13.092 1.00 0.00 N ATOM 1007 CA SER A 63 4.428 3.856 14.434 1.00 0.00 C ATOM 1008 C SER A 63 4.054 2.485 15.016 1.00 0.00 C ATOM 1009 O SER A 63 2.887 2.094 14.981 1.00 0.00 O ATOM 1010 CB SER A 63 3.888 4.931 15.388 1.00 0.00 C ATOM 1011 OG SER A 63 4.491 4.826 16.668 1.00 0.00 O ATOM 0 H SER A 63 2.841 4.205 13.127 1.00 0.00 H new ATOM 0 HA SER A 63 5.512 3.910 14.334 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.079 5.920 14.972 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.807 4.829 15.482 1.00 0.00 H new ATOM 0 HG SER A 63 3.860 5.131 17.353 1.00 0.00 H new ATOM 1017 N LYS A 64 5.018 1.765 15.597 1.00 0.00 N ATOM 1018 CA LYS A 64 4.789 0.477 16.284 1.00 0.00 C ATOM 1019 C LYS A 64 4.384 0.597 17.768 1.00 0.00 C ATOM 1020 O LYS A 64 4.018 -0.408 18.386 1.00 0.00 O ATOM 1021 CB LYS A 64 6.046 -0.405 16.167 1.00 0.00 C ATOM 1022 CG LYS A 64 7.316 0.306 16.664 1.00 0.00 C ATOM 1023 CD LYS A 64 8.423 -0.701 16.977 1.00 0.00 C ATOM 1024 CE LYS A 64 9.733 0.055 17.216 1.00 0.00 C ATOM 1025 NZ LYS A 64 10.861 -0.869 17.496 1.00 0.00 N ATOM 0 H LYS A 64 5.995 2.059 15.607 1.00 0.00 H new ATOM 0 HA LYS A 64 3.937 0.024 15.778 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.898 -1.320 16.741 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.183 -0.700 15.127 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.663 1.009 15.907 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.086 0.887 17.557 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.161 -1.287 17.858 1.00 0.00 H new ATOM 0 HD3 LYS A 64 8.539 -1.402 16.151 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.968 0.660 16.341 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.609 0.741 18.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.730 -0.319 17.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.648 -1.429 18.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.996 -1.507 16.686 1.00 0.00 H new ATOM 1039 N GLY A 65 4.491 1.795 18.356 1.00 0.00 N ATOM 1040 CA GLY A 65 4.365 2.025 19.802 1.00 0.00 C ATOM 1041 C GLY A 65 2.923 2.059 20.306 1.00 0.00 C ATOM 1042 O GLY A 65 2.010 1.535 19.666 1.00 0.00 O ATOM 0 H GLY A 65 4.671 2.650 17.829 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.905 1.241 20.332 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.848 2.970 20.052 1.00 0.00 H new ATOM 1046 N ALA A 66 2.707 2.674 21.470 1.00 0.00 N ATOM 1047 CA ALA A 66 1.389 2.783 22.114 1.00 0.00 C ATOM 1048 C ALA A 66 0.504 3.916 21.547 1.00 0.00 C ATOM 1049 O ALA A 66 -0.623 4.110 22.003 1.00 0.00 O ATOM 1050 CB ALA A 66 1.614 2.927 23.625 1.00 0.00 C ATOM 0 H ALA A 66 3.453 3.119 22.004 1.00 0.00 H new ATOM 0 HA ALA A 66 0.823 1.877 21.897 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.652 3.010 24.130 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.145 2.052 23.999 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.205 3.822 23.821 1.00 0.00 H new ATOM 1056 N SER A 67 0.990 4.664 20.554 1.00 0.00 N ATOM 1057 CA SER A 67 0.320 5.841 19.980 1.00 0.00 C ATOM 1058 C SER A 67 0.841 6.142 18.555 1.00 0.00 C ATOM 1059 O SER A 67 2.031 5.909 18.295 1.00 0.00 O ATOM 1060 CB SER A 67 0.565 7.040 20.912 1.00 0.00 C ATOM 1061 OG SER A 67 -0.215 8.169 20.543 1.00 0.00 O ATOM 0 H SER A 67 1.887 4.464 20.112 1.00 0.00 H new ATOM 0 HA SER A 67 -0.749 5.646 19.896 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.329 6.756 21.938 1.00 0.00 H new ATOM 0 HB3 SER A 67 1.622 7.306 20.890 1.00 0.00 H new ATOM 0 HG SER A 67 -0.032 8.908 21.160 1.00 0.00 H new ATOM 1067 N PRO A 68 -0.002 6.645 17.623 1.00 0.00 N ATOM 1068 CA PRO A 68 0.450 7.154 16.327 1.00 0.00 C ATOM 1069 C PRO A 68 1.356 8.380 16.525 1.00 0.00 C ATOM 1070 O PRO A 68 1.138 9.185 17.434 1.00 0.00 O ATOM 1071 CB PRO A 68 -0.825 7.501 15.550 1.00 0.00 C ATOM 1072 CG PRO A 68 -1.840 7.813 16.645 1.00 0.00 C ATOM 1073 CD PRO A 68 -1.444 6.840 17.753 1.00 0.00 C ATOM 0 HA PRO A 68 1.045 6.424 15.779 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.672 8.355 14.890 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.152 6.670 14.925 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -1.775 8.850 16.974 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.863 7.649 16.308 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.696 7.243 18.734 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.976 5.894 17.650 1.00 0.00 H new ATOM 1081 N GLY A 69 2.389 8.518 15.684 1.00 0.00 N ATOM 1082 CA GLY A 69 3.449 9.517 15.916 1.00 0.00 C ATOM 1083 C GLY A 69 4.670 9.423 15.002 1.00 0.00 C ATOM 1084 O GLY A 69 5.790 9.700 15.432 1.00 0.00 O ATOM 0 H GLY A 69 2.516 7.957 14.842 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.014 10.511 15.807 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.785 9.427 16.949 1.00 0.00 H new ATOM 1088 N LYS A 70 4.451 9.038 13.744 1.00 0.00 N ATOM 1089 CA LYS A 70 5.457 8.977 12.668 1.00 0.00 C ATOM 1090 C LYS A 70 5.030 9.874 11.487 1.00 0.00 C ATOM 1091 O LYS A 70 4.045 10.606 11.609 1.00 0.00 O ATOM 1092 CB LYS A 70 5.681 7.490 12.320 1.00 0.00 C ATOM 1093 CG LYS A 70 6.646 6.823 13.320 1.00 0.00 C ATOM 1094 CD LYS A 70 8.107 6.994 12.890 1.00 0.00 C ATOM 1095 CE LYS A 70 9.051 6.370 13.926 1.00 0.00 C ATOM 1096 NZ LYS A 70 10.476 6.666 13.625 1.00 0.00 N ATOM 0 H LYS A 70 3.527 8.746 13.427 1.00 0.00 H new ATOM 0 HA LYS A 70 6.421 9.381 12.977 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.726 6.964 12.326 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.084 7.407 11.311 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.504 7.257 14.310 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.411 5.762 13.401 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.263 6.525 11.919 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.336 8.053 12.773 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.803 6.748 14.918 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.901 5.291 13.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.077 6.285 14.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.739 6.225 12.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.611 7.695 13.560 1.00 0.00 H new ATOM 1110 N ASP A 71 5.743 9.858 10.355 1.00 0.00 N ATOM 1111 CA ASP A 71 5.558 10.846 9.273 1.00 0.00 C ATOM 1112 C ASP A 71 4.126 10.922 8.704 1.00 0.00 C ATOM 1113 O ASP A 71 3.689 11.994 8.291 1.00 0.00 O ATOM 1114 CB ASP A 71 6.574 10.581 8.153 1.00 0.00 C ATOM 1115 CG ASP A 71 6.610 11.738 7.139 1.00 0.00 C ATOM 1116 OD1 ASP A 71 7.230 12.782 7.452 1.00 0.00 O ATOM 1117 OD2 ASP A 71 6.023 11.601 6.041 1.00 0.00 O ATOM 0 H ASP A 71 6.464 9.164 10.158 1.00 0.00 H new ATOM 0 HA ASP A 71 5.732 11.823 9.724 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.565 10.443 8.585 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.318 9.654 7.640 1.00 0.00 H new ATOM 1122 N CYS A 72 3.370 9.820 8.747 1.00 0.00 N ATOM 1123 CA CYS A 72 1.977 9.752 8.280 1.00 0.00 C ATOM 1124 C CYS A 72 0.932 9.727 9.411 1.00 0.00 C ATOM 1125 O CYS A 72 -0.253 9.535 9.140 1.00 0.00 O ATOM 1126 CB CYS A 72 1.853 8.573 7.313 1.00 0.00 C ATOM 1127 SG CYS A 72 2.949 8.730 5.872 1.00 0.00 S ATOM 0 H CYS A 72 3.714 8.932 9.114 1.00 0.00 H new ATOM 0 HA CYS A 72 1.743 10.678 7.755 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.085 7.649 7.842 1.00 0.00 H new ATOM 0 HB3 CYS A 72 0.821 8.495 6.972 1.00 0.00 H new ATOM 0 HG CYS A 72 4.153 8.365 6.201 1.00 0.00 H new ATOM 1132 N ASN A 73 1.347 9.924 10.672 1.00 0.00 N ATOM 1133 CA ASN A 73 0.476 10.124 11.842 1.00 0.00 C ATOM 1134 C ASN A 73 -0.528 8.965 12.042 1.00 0.00 C ATOM 1135 O ASN A 73 -1.733 9.167 12.202 1.00 0.00 O ATOM 1136 CB ASN A 73 -0.172 11.522 11.774 1.00 0.00 C ATOM 1137 CG ASN A 73 -0.865 11.926 13.078 1.00 0.00 C ATOM 1138 OD1 ASN A 73 -0.501 11.497 14.167 1.00 0.00 O ATOM 1139 ND2 ASN A 73 -1.882 12.767 13.003 1.00 0.00 N ATOM 0 H ASN A 73 2.337 9.949 10.915 1.00 0.00 H new ATOM 0 HA ASN A 73 1.085 10.097 12.746 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.593 12.259 11.533 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.899 11.540 10.962 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -2.365 13.060 13.852 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.184 13.123 12.096 1.00 0.00 H new ATOM 1146 N VAL A 74 -0.014 7.733 11.982 1.00 0.00 N ATOM 1147 CA VAL A 74 -0.788 6.485 11.951 1.00 0.00 C ATOM 1148 C VAL A 74 0.019 5.352 12.588 1.00 0.00 C ATOM 1149 O VAL A 74 1.243 5.306 12.474 1.00 0.00 O ATOM 1150 CB VAL A 74 -1.234 6.168 10.501 1.00 0.00 C ATOM 1151 CG1 VAL A 74 -0.058 5.842 9.561 1.00 0.00 C ATOM 1152 CG2 VAL A 74 -2.259 5.029 10.458 1.00 0.00 C ATOM 0 H VAL A 74 0.992 7.570 11.952 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.697 6.598 12.542 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.701 7.084 10.138 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.439 5.630 8.562 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.620 6.694 9.517 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.478 4.971 9.938 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.546 4.837 9.424 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.820 4.128 10.886 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.141 5.311 11.033 1.00 0.00 H new ATOM 1162 N LYS A 75 -0.659 4.456 13.300 1.00 0.00 N ATOM 1163 CA LYS A 75 -0.059 3.318 14.006 1.00 0.00 C ATOM 1164 C LYS A 75 -0.129 2.032 13.160 1.00 0.00 C ATOM 1165 O LYS A 75 -1.158 1.737 12.555 1.00 0.00 O ATOM 1166 CB LYS A 75 -0.768 3.185 15.368 1.00 0.00 C ATOM 1167 CG LYS A 75 0.166 2.719 16.493 1.00 0.00 C ATOM 1168 CD LYS A 75 -0.542 2.716 17.858 1.00 0.00 C ATOM 1169 CE LYS A 75 -1.253 1.402 18.216 1.00 0.00 C ATOM 1170 NZ LYS A 75 -0.293 0.302 18.507 1.00 0.00 N ATOM 0 H LYS A 75 -1.672 4.500 13.407 1.00 0.00 H new ATOM 0 HA LYS A 75 1.004 3.487 14.176 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.202 4.147 15.640 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.593 2.479 15.273 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.531 1.716 16.271 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.037 3.373 16.537 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.193 2.937 18.632 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.274 3.524 17.873 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.893 1.562 19.084 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.902 1.106 17.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.728 -0.373 19.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.048 -0.188 17.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.569 0.697 18.934 1.00 0.00 H new ATOM 1184 N CYS A 76 0.951 1.248 13.129 1.00 0.00 N ATOM 1185 CA CYS A 76 1.092 -0.014 12.378 1.00 0.00 C ATOM 1186 C CYS A 76 -0.074 -1.001 12.569 1.00 0.00 C ATOM 1187 O CYS A 76 -0.483 -1.666 11.622 1.00 0.00 O ATOM 1188 CB CYS A 76 2.391 -0.687 12.830 1.00 0.00 C ATOM 1189 SG CYS A 76 3.886 0.274 12.534 1.00 0.00 S ATOM 0 H CYS A 76 1.796 1.482 13.651 1.00 0.00 H new ATOM 0 HA CYS A 76 1.097 0.243 11.319 1.00 0.00 H new ATOM 0 HB2 CYS A 76 2.320 -0.902 13.896 1.00 0.00 H new ATOM 0 HB3 CYS A 76 2.485 -1.644 12.317 1.00 0.00 H new ATOM 0 HG CYS A 76 3.966 0.575 11.272 1.00 0.00 H new ATOM 1194 N SER A 77 -0.639 -1.077 13.777 1.00 0.00 N ATOM 1195 CA SER A 77 -1.764 -1.977 14.087 1.00 0.00 C ATOM 1196 C SER A 77 -3.088 -1.537 13.429 1.00 0.00 C ATOM 1197 O SER A 77 -3.880 -2.381 13.007 1.00 0.00 O ATOM 1198 CB SER A 77 -1.921 -2.091 15.610 1.00 0.00 C ATOM 1199 OG SER A 77 -2.773 -3.169 15.968 1.00 0.00 O ATOM 0 H SER A 77 -0.332 -0.517 14.572 1.00 0.00 H new ATOM 0 HA SER A 77 -1.530 -2.954 13.665 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.942 -2.233 16.068 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.326 -1.159 16.005 1.00 0.00 H new ATOM 0 HG SER A 77 -2.850 -3.215 16.944 1.00 0.00 H new ATOM 1205 N ASP A 78 -3.315 -0.228 13.239 1.00 0.00 N ATOM 1206 CA ASP A 78 -4.501 0.287 12.534 1.00 0.00 C ATOM 1207 C ASP A 78 -4.467 -0.004 11.022 1.00 0.00 C ATOM 1208 O ASP A 78 -5.507 0.026 10.363 1.00 0.00 O ATOM 1209 CB ASP A 78 -4.671 1.789 12.804 1.00 0.00 C ATOM 1210 CG ASP A 78 -5.141 2.061 14.242 1.00 0.00 C ATOM 1211 OD1 ASP A 78 -6.365 1.955 14.498 1.00 0.00 O ATOM 1212 OD2 ASP A 78 -4.295 2.392 15.103 1.00 0.00 O ATOM 0 H ASP A 78 -2.684 0.502 13.569 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.367 -0.244 12.929 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.724 2.299 12.629 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -5.392 2.205 12.101 1.00 0.00 H new ATOM 1217 N LEU A 79 -3.298 -0.364 10.478 1.00 0.00 N ATOM 1218 CA LEU A 79 -3.135 -0.783 9.082 1.00 0.00 C ATOM 1219 C LEU A 79 -3.613 -2.226 8.845 1.00 0.00 C ATOM 1220 O LEU A 79 -3.796 -2.626 7.695 1.00 0.00 O ATOM 1221 CB LEU A 79 -1.665 -0.623 8.639 1.00 0.00 C ATOM 1222 CG LEU A 79 -0.956 0.696 9.010 1.00 0.00 C ATOM 1223 CD1 LEU A 79 0.433 0.701 8.363 1.00 0.00 C ATOM 1224 CD2 LEU A 79 -1.728 1.933 8.547 1.00 0.00 C ATOM 0 H LEU A 79 -2.425 -0.372 11.005 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.765 -0.132 8.476 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.092 -1.446 9.066 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.625 -0.735 7.556 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.891 0.745 10.097 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.949 1.628 8.615 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.009 -0.147 8.732 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.330 0.626 7.280 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.182 2.831 8.835 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.839 1.908 7.463 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.714 1.942 9.013 1.00 0.00 H new ATOM 1236 N LEU A 80 -3.838 -2.996 9.920 1.00 0.00 N ATOM 1237 CA LEU A 80 -4.244 -4.407 9.893 1.00 0.00 C ATOM 1238 C LEU A 80 -5.772 -4.594 9.999 1.00 0.00 C ATOM 1239 O LEU A 80 -6.238 -5.713 10.237 1.00 0.00 O ATOM 1240 CB LEU A 80 -3.508 -5.184 11.006 1.00 0.00 C ATOM 1241 CG LEU A 80 -1.975 -5.024 11.051 1.00 0.00 C ATOM 1242 CD1 LEU A 80 -1.426 -5.827 12.239 1.00 0.00 C ATOM 1243 CD2 LEU A 80 -1.290 -5.475 9.752 1.00 0.00 C ATOM 0 H LEU A 80 -3.738 -2.637 10.870 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.959 -4.811 8.922 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.913 -4.870 11.968 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.738 -6.243 10.894 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.755 -3.963 11.167 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.342 -5.721 12.280 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.863 -5.452 13.165 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.683 -6.879 12.117 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.212 -5.339 9.843 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.509 -6.527 9.572 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.662 -4.879 8.919 1.00 0.00 H new ATOM 1255 N THR A 81 -6.551 -3.508 9.881 1.00 0.00 N ATOM 1256 CA THR A 81 -8.013 -3.483 10.092 1.00 0.00 C ATOM 1257 C THR A 81 -8.798 -3.819 8.816 1.00 0.00 C ATOM 1258 O THR A 81 -8.238 -4.284 7.824 1.00 0.00 O ATOM 1259 CB THR A 81 -8.449 -2.155 10.737 1.00 0.00 C ATOM 1260 OG1 THR A 81 -8.147 -1.072 9.890 1.00 0.00 O ATOM 1261 CG2 THR A 81 -7.791 -1.921 12.098 1.00 0.00 C ATOM 0 H THR A 81 -6.174 -2.595 9.629 1.00 0.00 H new ATOM 0 HA THR A 81 -8.260 -4.278 10.796 1.00 0.00 H new ATOM 0 HB THR A 81 -9.526 -2.224 10.889 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.254 -0.729 10.103 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.133 -0.971 12.509 1.00 0.00 H new ATOM 0 HG22 THR A 81 -8.063 -2.729 12.777 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.708 -1.896 11.979 1.00 0.00 H new ATOM 1269 N ASP A 82 -10.119 -3.644 8.860 1.00 0.00 N ATOM 1270 CA ASP A 82 -11.092 -4.024 7.824 1.00 0.00 C ATOM 1271 C ASP A 82 -11.391 -2.933 6.776 1.00 0.00 C ATOM 1272 O ASP A 82 -12.187 -3.140 5.860 1.00 0.00 O ATOM 1273 CB ASP A 82 -12.382 -4.462 8.527 1.00 0.00 C ATOM 1274 CG ASP A 82 -13.094 -3.309 9.262 1.00 0.00 C ATOM 1275 OD1 ASP A 82 -12.526 -2.788 10.252 1.00 0.00 O ATOM 1276 OD2 ASP A 82 -14.229 -2.951 8.866 1.00 0.00 O ATOM 0 H ASP A 82 -10.569 -3.208 9.665 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.646 -4.835 7.248 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -13.062 -4.890 7.791 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -12.149 -5.251 9.242 1.00 0.00 H new ATOM 1281 N ASP A 83 -10.728 -1.787 6.897 1.00 0.00 N ATOM 1282 CA ASP A 83 -10.699 -0.719 5.891 1.00 0.00 C ATOM 1283 C ASP A 83 -9.252 -0.266 5.671 1.00 0.00 C ATOM 1284 O ASP A 83 -8.558 0.158 6.596 1.00 0.00 O ATOM 1285 CB ASP A 83 -11.619 0.454 6.278 1.00 0.00 C ATOM 1286 CG ASP A 83 -11.835 1.471 5.135 1.00 0.00 C ATOM 1287 OD1 ASP A 83 -10.958 1.608 4.246 1.00 0.00 O ATOM 1288 OD2 ASP A 83 -12.889 2.147 5.150 1.00 0.00 O ATOM 0 H ASP A 83 -10.176 -1.564 7.725 1.00 0.00 H new ATOM 0 HA ASP A 83 -11.087 -1.110 4.950 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.586 0.059 6.590 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.193 0.971 7.138 1.00 0.00 H new ATOM 1293 N ILE A 84 -8.813 -0.357 4.417 1.00 0.00 N ATOM 1294 CA ILE A 84 -7.445 -0.088 3.963 1.00 0.00 C ATOM 1295 C ILE A 84 -7.033 1.387 4.107 1.00 0.00 C ATOM 1296 O ILE A 84 -5.847 1.686 3.977 1.00 0.00 O ATOM 1297 CB ILE A 84 -7.275 -0.589 2.502 1.00 0.00 C ATOM 1298 CG1 ILE A 84 -7.974 0.351 1.498 1.00 0.00 C ATOM 1299 CG2 ILE A 84 -7.818 -2.022 2.341 1.00 0.00 C ATOM 1300 CD1 ILE A 84 -7.732 0.029 0.024 1.00 0.00 C ATOM 0 H ILE A 84 -9.428 -0.633 3.652 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.769 -0.639 4.616 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.207 -0.591 2.286 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -9.047 0.324 1.687 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.642 1.371 1.689 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.686 -2.347 1.309 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.275 -2.694 3.005 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -8.878 -2.040 2.595 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.266 0.747 -0.598 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.665 0.086 -0.191 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -8.092 -0.977 -0.193 1.00 0.00 H new ATOM 1312 N THR A 85 -7.985 2.304 4.347 1.00 0.00 N ATOM 1313 CA THR A 85 -7.806 3.771 4.309 1.00 0.00 C ATOM 1314 C THR A 85 -6.658 4.291 5.171 1.00 0.00 C ATOM 1315 O THR A 85 -5.946 5.200 4.753 1.00 0.00 O ATOM 1316 CB THR A 85 -9.138 4.463 4.615 1.00 0.00 C ATOM 1317 OG1 THR A 85 -9.027 5.847 4.382 1.00 0.00 O ATOM 1318 CG2 THR A 85 -9.632 4.255 6.046 1.00 0.00 C ATOM 0 H THR A 85 -8.940 2.036 4.583 1.00 0.00 H new ATOM 0 HA THR A 85 -7.500 4.028 3.295 1.00 0.00 H new ATOM 0 HB THR A 85 -9.867 4.002 3.949 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.883 6.282 4.579 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.580 4.776 6.183 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.773 3.190 6.231 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.896 4.651 6.746 1.00 0.00 H new ATOM 1326 N LYS A 86 -6.389 3.660 6.319 1.00 0.00 N ATOM 1327 CA LYS A 86 -5.266 4.029 7.194 1.00 0.00 C ATOM 1328 C LYS A 86 -3.905 3.811 6.506 1.00 0.00 C ATOM 1329 O LYS A 86 -2.969 4.590 6.703 1.00 0.00 O ATOM 1330 CB LYS A 86 -5.333 3.245 8.518 1.00 0.00 C ATOM 1331 CG LYS A 86 -6.625 3.430 9.333 1.00 0.00 C ATOM 1332 CD LYS A 86 -7.690 2.380 8.992 1.00 0.00 C ATOM 1333 CE LYS A 86 -8.834 2.406 10.011 1.00 0.00 C ATOM 1334 NZ LYS A 86 -9.805 1.313 9.750 1.00 0.00 N ATOM 0 H LYS A 86 -6.943 2.878 6.670 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.356 5.094 7.409 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.211 2.184 8.298 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -4.487 3.541 9.139 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.391 3.374 10.396 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.028 4.425 9.148 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.084 2.568 7.993 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.236 1.389 8.975 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.430 2.306 11.019 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.344 3.368 9.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.513 1.289 10.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.280 1.481 8.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.303 0.403 9.716 1.00 0.00 H new ATOM 1348 N ALA A 87 -3.807 2.778 5.663 1.00 0.00 N ATOM 1349 CA ALA A 87 -2.630 2.460 4.857 1.00 0.00 C ATOM 1350 C ALA A 87 -2.646 3.217 3.523 1.00 0.00 C ATOM 1351 O ALA A 87 -1.618 3.742 3.106 1.00 0.00 O ATOM 1352 CB ALA A 87 -2.584 0.936 4.660 1.00 0.00 C ATOM 0 H ALA A 87 -4.573 2.119 5.520 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.725 2.783 5.371 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.713 0.673 4.060 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.518 0.445 5.631 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.489 0.608 4.149 1.00 0.00 H new ATOM 1358 N ALA A 88 -3.814 3.336 2.885 1.00 0.00 N ATOM 1359 CA ALA A 88 -3.976 3.980 1.585 1.00 0.00 C ATOM 1360 C ALA A 88 -3.672 5.487 1.620 1.00 0.00 C ATOM 1361 O ALA A 88 -2.944 5.983 0.767 1.00 0.00 O ATOM 1362 CB ALA A 88 -5.391 3.683 1.081 1.00 0.00 C ATOM 0 H ALA A 88 -4.689 2.979 3.268 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.244 3.570 0.890 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.537 4.154 0.109 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -5.525 2.605 0.986 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.120 4.078 1.789 1.00 0.00 H new ATOM 1368 N LYS A 89 -4.146 6.219 2.630 1.00 0.00 N ATOM 1369 CA LYS A 89 -3.835 7.649 2.792 1.00 0.00 C ATOM 1370 C LYS A 89 -2.358 7.897 3.147 1.00 0.00 C ATOM 1371 O LYS A 89 -1.758 8.870 2.691 1.00 0.00 O ATOM 1372 CB LYS A 89 -4.760 8.239 3.862 1.00 0.00 C ATOM 1373 CG LYS A 89 -6.212 8.346 3.367 1.00 0.00 C ATOM 1374 CD LYS A 89 -7.131 8.866 4.475 1.00 0.00 C ATOM 1375 CE LYS A 89 -8.546 9.069 3.919 1.00 0.00 C ATOM 1376 NZ LYS A 89 -9.497 9.492 4.979 1.00 0.00 N ATOM 0 H LYS A 89 -4.754 5.844 3.358 1.00 0.00 H new ATOM 0 HA LYS A 89 -4.004 8.145 1.836 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.726 7.616 4.756 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -4.400 9.227 4.149 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -6.259 9.014 2.507 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.559 7.369 3.031 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.153 8.159 5.304 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -6.746 9.807 4.869 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.523 9.821 3.130 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.895 8.141 3.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -10.443 9.619 4.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.538 8.763 5.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.177 10.390 5.394 1.00 0.00 H new ATOM 1390 N CYS A 90 -1.747 6.978 3.902 1.00 0.00 N ATOM 1391 CA CYS A 90 -0.305 6.968 4.175 1.00 0.00 C ATOM 1392 C CYS A 90 0.498 6.697 2.888 1.00 0.00 C ATOM 1393 O CYS A 90 1.474 7.393 2.609 1.00 0.00 O ATOM 1394 CB CYS A 90 -0.052 5.945 5.291 1.00 0.00 C ATOM 1395 SG CYS A 90 1.675 5.624 5.709 1.00 0.00 S ATOM 0 H CYS A 90 -2.247 6.209 4.347 1.00 0.00 H new ATOM 0 HA CYS A 90 0.041 7.943 4.518 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -0.563 6.287 6.191 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -0.514 5.002 5.001 1.00 0.00 H new ATOM 0 HG CYS A 90 2.371 6.709 5.539 1.00 0.00 H new ATOM 1400 N ALA A 91 0.023 5.782 2.039 1.00 0.00 N ATOM 1401 CA ALA A 91 0.586 5.504 0.720 1.00 0.00 C ATOM 1402 C ALA A 91 0.541 6.718 -0.223 1.00 0.00 C ATOM 1403 O ALA A 91 1.527 6.956 -0.917 1.00 0.00 O ATOM 1404 CB ALA A 91 -0.126 4.280 0.138 1.00 0.00 C ATOM 0 H ALA A 91 -0.785 5.200 2.258 1.00 0.00 H new ATOM 0 HA ALA A 91 1.648 5.286 0.829 1.00 0.00 H new ATOM 0 HB1 ALA A 91 0.281 4.057 -0.848 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.026 3.424 0.796 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.193 4.487 0.052 1.00 0.00 H new ATOM 1410 N LYS A 92 -0.509 7.559 -0.202 1.00 0.00 N ATOM 1411 CA LYS A 92 -0.500 8.827 -0.953 1.00 0.00 C ATOM 1412 C LYS A 92 0.633 9.767 -0.504 1.00 0.00 C ATOM 1413 O LYS A 92 1.323 10.343 -1.344 1.00 0.00 O ATOM 1414 CB LYS A 92 -1.845 9.568 -0.841 1.00 0.00 C ATOM 1415 CG LYS A 92 -3.116 8.773 -1.166 1.00 0.00 C ATOM 1416 CD LYS A 92 -3.123 7.982 -2.483 1.00 0.00 C ATOM 1417 CE LYS A 92 -2.730 8.783 -3.736 1.00 0.00 C ATOM 1418 NZ LYS A 92 -3.675 9.894 -4.033 1.00 0.00 N ATOM 0 H LYS A 92 -1.367 7.386 0.322 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.329 8.551 -1.994 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -1.936 9.949 0.176 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.810 10.433 -1.503 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.297 8.074 -0.349 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.956 9.468 -1.183 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -2.441 7.138 -2.384 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -4.121 7.570 -2.634 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.728 9.191 -3.601 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -2.687 8.110 -4.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -3.276 10.500 -4.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -4.582 9.501 -4.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -3.828 10.459 -3.173 1.00 0.00 H new ATOM 1432 N LYS A 93 0.876 9.891 0.808 1.00 0.00 N ATOM 1433 CA LYS A 93 1.966 10.722 1.348 1.00 0.00 C ATOM 1434 C LYS A 93 3.371 10.167 1.025 1.00 0.00 C ATOM 1435 O LYS A 93 4.340 10.924 0.978 1.00 0.00 O ATOM 1436 CB LYS A 93 1.731 10.971 2.851 1.00 0.00 C ATOM 1437 CG LYS A 93 2.670 12.068 3.386 1.00 0.00 C ATOM 1438 CD LYS A 93 2.327 12.513 4.812 1.00 0.00 C ATOM 1439 CE LYS A 93 3.272 13.658 5.206 1.00 0.00 C ATOM 1440 NZ LYS A 93 3.009 14.155 6.579 1.00 0.00 N ATOM 0 H LYS A 93 0.325 9.420 1.525 1.00 0.00 H new ATOM 0 HA LYS A 93 1.944 11.687 0.842 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.694 11.264 3.016 1.00 0.00 H new ATOM 0 HB3 LYS A 93 1.894 10.047 3.405 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.696 11.702 3.364 1.00 0.00 H new ATOM 0 HG3 LYS A 93 2.625 12.931 2.722 1.00 0.00 H new ATOM 0 HD2 LYS A 93 1.289 12.842 4.867 1.00 0.00 H new ATOM 0 HD3 LYS A 93 2.433 11.679 5.505 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.304 13.315 5.137 1.00 0.00 H new ATOM 0 HE3 LYS A 93 3.161 14.478 4.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.599 14.991 6.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.005 14.413 6.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 3.238 13.410 7.268 1.00 0.00 H new ATOM 1454 N ILE A 94 3.482 8.875 0.706 1.00 0.00 N ATOM 1455 CA ILE A 94 4.711 8.276 0.158 1.00 0.00 C ATOM 1456 C ILE A 94 4.826 8.536 -1.354 1.00 0.00 C ATOM 1457 O ILE A 94 5.887 8.935 -1.834 1.00 0.00 O ATOM 1458 CB ILE A 94 4.774 6.771 0.498 1.00 0.00 C ATOM 1459 CG1 ILE A 94 4.789 6.528 2.026 1.00 0.00 C ATOM 1460 CG2 ILE A 94 6.045 6.200 -0.142 1.00 0.00 C ATOM 1461 CD1 ILE A 94 4.566 5.065 2.428 1.00 0.00 C ATOM 0 H ILE A 94 2.719 8.207 0.820 1.00 0.00 H new ATOM 0 HA ILE A 94 5.572 8.754 0.626 1.00 0.00 H new ATOM 0 HB ILE A 94 3.885 6.275 0.108 1.00 0.00 H new ATOM 0 HG12 ILE A 94 5.746 6.862 2.427 1.00 0.00 H new ATOM 0 HG13 ILE A 94 4.017 7.143 2.489 1.00 0.00 H new ATOM 0 HG21 ILE A 94 6.118 5.136 0.081 1.00 0.00 H new ATOM 0 HG22 ILE A 94 6.004 6.343 -1.222 1.00 0.00 H new ATOM 0 HG23 ILE A 94 6.918 6.715 0.259 1.00 0.00 H new ATOM 0 HD11 ILE A 94 4.591 4.978 3.514 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.597 4.730 2.059 1.00 0.00 H new ATOM 0 HD13 ILE A 94 5.352 4.445 1.997 1.00 0.00 H new ATOM 1473 N TYR A 95 3.738 8.379 -2.113 1.00 0.00 N ATOM 1474 CA TYR A 95 3.703 8.668 -3.556 1.00 0.00 C ATOM 1475 C TYR A 95 4.056 10.134 -3.878 1.00 0.00 C ATOM 1476 O TYR A 95 4.707 10.414 -4.885 1.00 0.00 O ATOM 1477 CB TYR A 95 2.356 8.205 -4.146 1.00 0.00 C ATOM 1478 CG TYR A 95 1.767 9.032 -5.279 1.00 0.00 C ATOM 1479 CD1 TYR A 95 1.092 10.238 -4.993 1.00 0.00 C ATOM 1480 CD2 TYR A 95 1.848 8.580 -6.610 1.00 0.00 C ATOM 1481 CE1 TYR A 95 0.531 11.003 -6.033 1.00 0.00 C ATOM 1482 CE2 TYR A 95 1.294 9.342 -7.656 1.00 0.00 C ATOM 1483 CZ TYR A 95 0.634 10.558 -7.371 1.00 0.00 C ATOM 1484 OH TYR A 95 0.094 11.290 -8.386 1.00 0.00 O ATOM 0 H TYR A 95 2.848 8.045 -1.744 1.00 0.00 H new ATOM 0 HA TYR A 95 4.488 8.094 -4.048 1.00 0.00 H new ATOM 0 HB2 TYR A 95 2.478 7.183 -4.504 1.00 0.00 H new ATOM 0 HB3 TYR A 95 1.626 8.174 -3.337 1.00 0.00 H new ATOM 0 HD1 TYR A 95 1.005 10.576 -3.971 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.338 7.643 -6.830 1.00 0.00 H new ATOM 0 HE1 TYR A 95 0.022 11.929 -5.809 1.00 0.00 H new ATOM 0 HE2 TYR A 95 1.374 8.997 -8.676 1.00 0.00 H new ATOM 0 HH TYR A 95 0.259 10.837 -9.239 1.00 0.00 H new ATOM 1494 N LYS A 96 3.749 11.056 -2.964 1.00 0.00 N ATOM 1495 CA LYS A 96 4.194 12.457 -2.980 1.00 0.00 C ATOM 1496 C LYS A 96 5.726 12.654 -2.998 1.00 0.00 C ATOM 1497 O LYS A 96 6.194 13.728 -3.387 1.00 0.00 O ATOM 1498 CB LYS A 96 3.596 13.133 -1.735 1.00 0.00 C ATOM 1499 CG LYS A 96 2.163 13.625 -1.993 1.00 0.00 C ATOM 1500 CD LYS A 96 1.614 14.428 -0.806 1.00 0.00 C ATOM 1501 CE LYS A 96 0.189 14.907 -1.115 1.00 0.00 C ATOM 1502 NZ LYS A 96 -0.367 15.742 -0.017 1.00 0.00 N ATOM 0 H LYS A 96 3.160 10.842 -2.159 1.00 0.00 H new ATOM 0 HA LYS A 96 3.848 12.902 -3.913 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.596 12.429 -0.903 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.223 13.975 -1.440 1.00 0.00 H new ATOM 0 HG2 LYS A 96 2.147 14.245 -2.890 1.00 0.00 H new ATOM 0 HG3 LYS A 96 1.514 12.770 -2.185 1.00 0.00 H new ATOM 0 HD2 LYS A 96 1.613 13.811 0.093 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.259 15.283 -0.605 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.192 15.481 -2.041 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.457 14.044 -1.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -1.330 16.045 -0.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -0.394 15.187 0.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.234 16.579 0.121 1.00 0.00 H new ATOM 1516 N ARG A 97 6.503 11.640 -2.589 1.00 0.00 N ATOM 1517 CA ARG A 97 7.972 11.670 -2.502 1.00 0.00 C ATOM 1518 C ARG A 97 8.649 10.696 -3.481 1.00 0.00 C ATOM 1519 O ARG A 97 9.723 11.007 -3.993 1.00 0.00 O ATOM 1520 CB ARG A 97 8.406 11.348 -1.059 1.00 0.00 C ATOM 1521 CG ARG A 97 7.858 12.302 0.018 1.00 0.00 C ATOM 1522 CD ARG A 97 8.278 13.762 -0.196 1.00 0.00 C ATOM 1523 NE ARG A 97 7.796 14.619 0.902 1.00 0.00 N ATOM 1524 CZ ARG A 97 7.910 15.941 0.976 1.00 0.00 C ATOM 1525 NH1 ARG A 97 8.491 16.647 0.029 1.00 0.00 N ATOM 1526 NH2 ARG A 97 7.436 16.579 2.025 1.00 0.00 N ATOM 0 H ARG A 97 6.112 10.744 -2.299 1.00 0.00 H new ATOM 0 HA ARG A 97 8.293 12.673 -2.782 1.00 0.00 H new ATOM 0 HB2 ARG A 97 8.088 10.333 -0.819 1.00 0.00 H new ATOM 0 HB3 ARG A 97 9.495 11.360 -1.013 1.00 0.00 H new ATOM 0 HG2 ARG A 97 6.770 12.242 0.028 1.00 0.00 H new ATOM 0 HG3 ARG A 97 8.204 11.971 0.997 1.00 0.00 H new ATOM 0 HD2 ARG A 97 9.364 13.825 -0.261 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.880 14.123 -1.145 1.00 0.00 H new ATOM 0 HE ARG A 97 7.330 14.152 1.680 1.00 0.00 H new ATOM 0 HH11 ARG A 97 8.871 16.180 -0.795 1.00 0.00 H new ATOM 0 HH12 ARG A 97 8.561 17.661 0.119 1.00 0.00 H new ATOM 0 HH21 ARG A 97 6.984 16.059 2.777 1.00 0.00 H new ATOM 0 HH22 ARG A 97 7.521 17.594 2.086 1.00 0.00 H new ATOM 1540 N HIS A 98 8.022 9.549 -3.773 1.00 0.00 N ATOM 1541 CA HIS A 98 8.646 8.439 -4.520 1.00 0.00 C ATOM 1542 C HIS A 98 7.781 7.810 -5.637 1.00 0.00 C ATOM 1543 O HIS A 98 8.278 6.942 -6.353 1.00 0.00 O ATOM 1544 CB HIS A 98 9.042 7.358 -3.496 1.00 0.00 C ATOM 1545 CG HIS A 98 10.011 7.821 -2.441 1.00 0.00 C ATOM 1546 ND1 HIS A 98 11.363 8.102 -2.651 1.00 0.00 N ATOM 1547 CD2 HIS A 98 9.713 8.030 -1.126 1.00 0.00 C ATOM 1548 CE1 HIS A 98 11.844 8.478 -1.454 1.00 0.00 C ATOM 1549 NE2 HIS A 98 10.877 8.444 -0.518 1.00 0.00 N ATOM 0 H HIS A 98 7.059 9.360 -3.497 1.00 0.00 H new ATOM 0 HA HIS A 98 9.501 8.860 -5.049 1.00 0.00 H new ATOM 0 HB2 HIS A 98 8.140 6.992 -3.007 1.00 0.00 H new ATOM 0 HB3 HIS A 98 9.481 6.514 -4.029 1.00 0.00 H new ATOM 0 HD2 HIS A 98 8.751 7.897 -0.654 1.00 0.00 H new ATOM 0 HE1 HIS A 98 12.868 8.768 -1.268 1.00 0.00 H new ATOM 0 HE2 HIS A 98 10.987 8.683 0.468 1.00 0.00 H new ATOM 1557 N ARG A 99 6.520 8.244 -5.800 1.00 0.00 N ATOM 1558 CA ARG A 99 5.393 7.699 -6.598 1.00 0.00 C ATOM 1559 C ARG A 99 5.154 6.172 -6.542 1.00 0.00 C ATOM 1560 O ARG A 99 4.073 5.758 -6.133 1.00 0.00 O ATOM 1561 CB ARG A 99 5.317 8.272 -8.023 1.00 0.00 C ATOM 1562 CG ARG A 99 6.534 8.027 -8.917 1.00 0.00 C ATOM 1563 CD ARG A 99 7.534 9.192 -8.885 1.00 0.00 C ATOM 1564 NE ARG A 99 8.677 8.945 -9.783 1.00 0.00 N ATOM 1565 CZ ARG A 99 8.749 9.214 -11.083 1.00 0.00 C ATOM 1566 NH1 ARG A 99 7.746 9.754 -11.747 1.00 0.00 N ATOM 1567 NH2 ARG A 99 9.851 8.938 -11.745 1.00 0.00 N ATOM 0 H ARG A 99 6.223 9.092 -5.317 1.00 0.00 H new ATOM 0 HA ARG A 99 4.532 8.083 -6.051 1.00 0.00 H new ATOM 0 HB2 ARG A 99 4.440 7.851 -8.515 1.00 0.00 H new ATOM 0 HB3 ARG A 99 5.156 9.348 -7.951 1.00 0.00 H new ATOM 0 HG2 ARG A 99 7.036 7.113 -8.599 1.00 0.00 H new ATOM 0 HG3 ARG A 99 6.201 7.867 -9.942 1.00 0.00 H new ATOM 0 HD2 ARG A 99 7.031 10.113 -9.179 1.00 0.00 H new ATOM 0 HD3 ARG A 99 7.894 9.336 -7.866 1.00 0.00 H new ATOM 0 HE ARG A 99 9.503 8.521 -9.361 1.00 0.00 H new ATOM 0 HH11 ARG A 99 6.877 9.980 -11.263 1.00 0.00 H new ATOM 0 HH12 ARG A 99 7.839 9.946 -12.744 1.00 0.00 H new ATOM 0 HH21 ARG A 99 10.645 8.519 -11.261 1.00 0.00 H new ATOM 0 HH22 ARG A 99 9.911 9.142 -12.742 1.00 0.00 H new ATOM 1581 N PHE A 100 6.149 5.345 -6.869 1.00 0.00 N ATOM 1582 CA PHE A 100 6.122 3.879 -6.803 1.00 0.00 C ATOM 1583 C PHE A 100 7.464 3.257 -6.349 1.00 0.00 C ATOM 1584 O PHE A 100 7.524 2.060 -6.075 1.00 0.00 O ATOM 1585 CB PHE A 100 5.737 3.319 -8.180 1.00 0.00 C ATOM 1586 CG PHE A 100 4.410 3.778 -8.750 1.00 0.00 C ATOM 1587 CD1 PHE A 100 3.212 3.411 -8.112 1.00 0.00 C ATOM 1588 CD2 PHE A 100 4.365 4.544 -9.931 1.00 0.00 C ATOM 1589 CE1 PHE A 100 1.976 3.805 -8.648 1.00 0.00 C ATOM 1590 CE2 PHE A 100 3.126 4.941 -10.465 1.00 0.00 C ATOM 1591 CZ PHE A 100 1.930 4.569 -9.825 1.00 0.00 C ATOM 0 H PHE A 100 7.045 5.698 -7.206 1.00 0.00 H new ATOM 0 HA PHE A 100 5.383 3.609 -6.049 1.00 0.00 H new ATOM 0 HB2 PHE A 100 6.522 3.584 -8.888 1.00 0.00 H new ATOM 0 HB3 PHE A 100 5.722 2.231 -8.114 1.00 0.00 H new ATOM 0 HD1 PHE A 100 3.243 2.824 -7.206 1.00 0.00 H new ATOM 0 HD2 PHE A 100 5.282 4.827 -10.427 1.00 0.00 H new ATOM 0 HE1 PHE A 100 1.059 3.520 -8.154 1.00 0.00 H new ATOM 0 HE2 PHE A 100 3.093 5.532 -11.368 1.00 0.00 H new ATOM 0 HZ PHE A 100 0.979 4.870 -10.238 1.00 0.00 H new ATOM 1601 N ASP A 101 8.543 4.047 -6.247 1.00 0.00 N ATOM 1602 CA ASP A 101 9.916 3.576 -5.996 1.00 0.00 C ATOM 1603 C ASP A 101 10.196 3.209 -4.522 1.00 0.00 C ATOM 1604 O ASP A 101 11.190 2.545 -4.224 1.00 0.00 O ATOM 1605 CB ASP A 101 10.886 4.659 -6.500 1.00 0.00 C ATOM 1606 CG ASP A 101 12.364 4.245 -6.405 1.00 0.00 C ATOM 1607 OD1 ASP A 101 12.731 3.193 -6.978 1.00 0.00 O ATOM 1608 OD2 ASP A 101 13.156 4.978 -5.767 1.00 0.00 O ATOM 0 H ASP A 101 8.484 5.061 -6.339 1.00 0.00 H new ATOM 0 HA ASP A 101 10.059 2.642 -6.539 1.00 0.00 H new ATOM 0 HB2 ASP A 101 10.648 4.895 -7.537 1.00 0.00 H new ATOM 0 HB3 ASP A 101 10.734 5.571 -5.922 1.00 0.00 H new ATOM 1613 N ALA A 102 9.298 3.587 -3.604 1.00 0.00 N ATOM 1614 CA ALA A 102 9.344 3.191 -2.193 1.00 0.00 C ATOM 1615 C ALA A 102 8.974 1.707 -1.957 1.00 0.00 C ATOM 1616 O ALA A 102 9.121 1.207 -0.839 1.00 0.00 O ATOM 1617 CB ALA A 102 8.428 4.132 -1.403 1.00 0.00 C ATOM 0 H ALA A 102 8.504 4.188 -3.826 1.00 0.00 H new ATOM 0 HA ALA A 102 10.373 3.280 -1.844 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.446 3.857 -0.349 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.777 5.159 -1.516 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.409 4.051 -1.782 1.00 0.00 H new ATOM 1623 N TRP A 103 8.527 1.004 -3.004 1.00 0.00 N ATOM 1624 CA TRP A 103 8.102 -0.398 -2.978 1.00 0.00 C ATOM 1625 C TRP A 103 8.889 -1.245 -3.980 1.00 0.00 C ATOM 1626 O TRP A 103 9.227 -0.800 -5.078 1.00 0.00 O ATOM 1627 CB TRP A 103 6.597 -0.456 -3.260 1.00 0.00 C ATOM 1628 CG TRP A 103 5.742 0.242 -2.249 1.00 0.00 C ATOM 1629 CD1 TRP A 103 5.343 -0.290 -1.076 1.00 0.00 C ATOM 1630 CD2 TRP A 103 5.170 1.589 -2.286 1.00 0.00 C ATOM 1631 NE1 TRP A 103 4.547 0.611 -0.405 1.00 0.00 N ATOM 1632 CE2 TRP A 103 4.375 1.778 -1.116 1.00 0.00 C ATOM 1633 CE3 TRP A 103 5.230 2.666 -3.195 1.00 0.00 C ATOM 1634 CZ2 TRP A 103 3.637 2.949 -0.885 1.00 0.00 C ATOM 1635 CZ3 TRP A 103 4.499 3.848 -2.976 1.00 0.00 C ATOM 1636 CH2 TRP A 103 3.689 3.985 -1.833 1.00 0.00 C ATOM 0 H TRP A 103 8.449 1.417 -3.934 1.00 0.00 H new ATOM 0 HA TRP A 103 8.306 -0.818 -1.993 1.00 0.00 H new ATOM 0 HB2 TRP A 103 6.408 -0.018 -4.240 1.00 0.00 H new ATOM 0 HB3 TRP A 103 6.292 -1.501 -3.314 1.00 0.00 H new ATOM 0 HD1 TRP A 103 5.608 -1.274 -0.717 1.00 0.00 H new ATOM 0 HE1 TRP A 103 4.133 0.435 0.511 1.00 0.00 H new ATOM 0 HE3 TRP A 103 5.849 2.582 -4.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 3.038 3.052 0.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 4.560 4.656 -3.690 1.00 0.00 H new ATOM 0 HH2 TRP A 103 3.109 4.884 -1.685 1.00 0.00 H new ATOM 1647 N TYR A 104 9.195 -2.481 -3.586 1.00 0.00 N ATOM 1648 CA TYR A 104 10.100 -3.359 -4.324 1.00 0.00 C ATOM 1649 C TYR A 104 9.404 -4.146 -5.443 1.00 0.00 C ATOM 1650 O TYR A 104 9.953 -4.263 -6.538 1.00 0.00 O ATOM 1651 CB TYR A 104 10.793 -4.296 -3.327 1.00 0.00 C ATOM 1652 CG TYR A 104 11.961 -5.036 -3.940 1.00 0.00 C ATOM 1653 CD1 TYR A 104 13.138 -4.326 -4.239 1.00 0.00 C ATOM 1654 CD2 TYR A 104 11.867 -6.408 -4.239 1.00 0.00 C ATOM 1655 CE1 TYR A 104 14.227 -4.985 -4.839 1.00 0.00 C ATOM 1656 CE2 TYR A 104 12.956 -7.077 -4.831 1.00 0.00 C ATOM 1657 CZ TYR A 104 14.139 -6.365 -5.136 1.00 0.00 C ATOM 1658 OH TYR A 104 15.196 -7.001 -5.717 1.00 0.00 O ATOM 0 H TYR A 104 8.818 -2.904 -2.738 1.00 0.00 H new ATOM 0 HA TYR A 104 10.838 -2.738 -4.831 1.00 0.00 H new ATOM 0 HB2 TYR A 104 11.143 -3.717 -2.472 1.00 0.00 H new ATOM 0 HB3 TYR A 104 10.069 -5.017 -2.948 1.00 0.00 H new ATOM 0 HD1 TYR A 104 13.206 -3.273 -4.008 1.00 0.00 H new ATOM 0 HD2 TYR A 104 10.959 -6.948 -4.014 1.00 0.00 H new ATOM 0 HE1 TYR A 104 15.128 -4.438 -5.072 1.00 0.00 H new ATOM 0 HE2 TYR A 104 12.888 -8.132 -5.052 1.00 0.00 H new ATOM 0 HH TYR A 104 14.974 -7.946 -5.854 1.00 0.00 H new ATOM 1668 N GLY A 105 8.177 -4.624 -5.214 1.00 0.00 N ATOM 1669 CA GLY A 105 7.414 -5.426 -6.179 1.00 0.00 C ATOM 1670 C GLY A 105 7.057 -4.656 -7.449 1.00 0.00 C ATOM 1671 O GLY A 105 7.009 -5.245 -8.529 1.00 0.00 O ATOM 0 H GLY A 105 7.677 -4.463 -4.340 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.994 -6.309 -6.448 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.498 -5.778 -5.705 1.00 0.00 H new ATOM 1675 N TRP A 106 6.894 -3.331 -7.355 1.00 0.00 N ATOM 1676 CA TRP A 106 6.647 -2.485 -8.522 1.00 0.00 C ATOM 1677 C TRP A 106 7.811 -2.492 -9.528 1.00 0.00 C ATOM 1678 O TRP A 106 7.588 -2.570 -10.737 1.00 0.00 O ATOM 1679 CB TRP A 106 6.290 -1.066 -8.081 1.00 0.00 C ATOM 1680 CG TRP A 106 5.997 -0.169 -9.242 1.00 0.00 C ATOM 1681 CD1 TRP A 106 4.824 -0.086 -9.909 1.00 0.00 C ATOM 1682 CD2 TRP A 106 6.917 0.723 -9.939 1.00 0.00 C ATOM 1683 NE1 TRP A 106 4.956 0.792 -10.968 1.00 0.00 N ATOM 1684 CE2 TRP A 106 6.224 1.329 -11.029 1.00 0.00 C ATOM 1685 CE3 TRP A 106 8.271 1.075 -9.757 1.00 0.00 C ATOM 1686 CZ2 TRP A 106 6.848 2.239 -11.897 1.00 0.00 C ATOM 1687 CZ3 TRP A 106 8.908 1.983 -10.621 1.00 0.00 C ATOM 1688 CH2 TRP A 106 8.200 2.567 -11.689 1.00 0.00 C ATOM 0 H TRP A 106 6.930 -2.821 -6.473 1.00 0.00 H new ATOM 0 HA TRP A 106 5.796 -2.910 -9.054 1.00 0.00 H new ATOM 0 HB2 TRP A 106 5.422 -1.100 -7.422 1.00 0.00 H new ATOM 0 HB3 TRP A 106 7.114 -0.650 -7.501 1.00 0.00 H new ATOM 0 HD1 TRP A 106 3.923 -0.623 -9.654 1.00 0.00 H new ATOM 0 HE1 TRP A 106 4.207 1.015 -11.624 1.00 0.00 H new ATOM 0 HE3 TRP A 106 8.828 0.640 -8.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 6.297 2.681 -12.714 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 9.947 2.234 -10.465 1.00 0.00 H new ATOM 0 HH2 TRP A 106 8.694 3.266 -12.348 1.00 0.00 H new ATOM 1699 N LYS A 107 9.055 -2.469 -9.041 1.00 0.00 N ATOM 1700 CA LYS A 107 10.273 -2.476 -9.870 1.00 0.00 C ATOM 1701 C LYS A 107 10.878 -3.879 -10.094 1.00 0.00 C ATOM 1702 O LYS A 107 11.663 -4.056 -11.026 1.00 0.00 O ATOM 1703 CB LYS A 107 11.285 -1.441 -9.338 1.00 0.00 C ATOM 1704 CG LYS A 107 11.505 -1.449 -7.818 1.00 0.00 C ATOM 1705 CD LYS A 107 12.513 -0.367 -7.415 1.00 0.00 C ATOM 1706 CE LYS A 107 12.549 -0.209 -5.890 1.00 0.00 C ATOM 1707 NZ LYS A 107 13.443 0.904 -5.488 1.00 0.00 N ATOM 0 H LYS A 107 9.252 -2.444 -8.041 1.00 0.00 H new ATOM 0 HA LYS A 107 9.981 -2.169 -10.875 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.244 -1.613 -9.827 1.00 0.00 H new ATOM 0 HB3 LYS A 107 10.950 -0.447 -9.633 1.00 0.00 H new ATOM 0 HG2 LYS A 107 10.557 -1.280 -7.307 1.00 0.00 H new ATOM 0 HG3 LYS A 107 11.867 -2.427 -7.502 1.00 0.00 H new ATOM 0 HD2 LYS A 107 13.505 -0.630 -7.783 1.00 0.00 H new ATOM 0 HD3 LYS A 107 12.242 0.582 -7.879 1.00 0.00 H new ATOM 0 HE2 LYS A 107 11.542 -0.023 -5.517 1.00 0.00 H new ATOM 0 HE3 LYS A 107 12.892 -1.138 -5.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 13.370 1.054 -4.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 14.425 0.667 -5.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 13.161 1.773 -5.986 1.00 0.00 H new ATOM 1721 N ASN A 108 10.473 -4.884 -9.309 1.00 0.00 N ATOM 1722 CA ASN A 108 10.940 -6.274 -9.424 1.00 0.00 C ATOM 1723 C ASN A 108 9.978 -7.198 -10.210 1.00 0.00 C ATOM 1724 O ASN A 108 10.428 -8.198 -10.769 1.00 0.00 O ATOM 1725 CB ASN A 108 11.222 -6.807 -8.010 1.00 0.00 C ATOM 1726 CG ASN A 108 11.961 -8.143 -8.019 1.00 0.00 C ATOM 1727 OD1 ASN A 108 11.408 -9.187 -7.695 1.00 0.00 O ATOM 1728 ND2 ASN A 108 13.233 -8.150 -8.379 1.00 0.00 N ATOM 0 H ASN A 108 9.796 -4.752 -8.558 1.00 0.00 H new ATOM 0 HA ASN A 108 11.854 -6.276 -10.017 1.00 0.00 H new ATOM 0 HB2 ASN A 108 11.813 -6.074 -7.461 1.00 0.00 H new ATOM 0 HB3 ASN A 108 10.279 -6.922 -7.475 1.00 0.00 H new ATOM 0 HD21 ASN A 108 13.756 -9.026 -8.387 1.00 0.00 H new ATOM 0 HD22 ASN A 108 13.692 -7.280 -8.648 1.00 0.00 H new ATOM 1735 N HIS A 109 8.686 -6.849 -10.316 1.00 0.00 N ATOM 1736 CA HIS A 109 7.662 -7.646 -11.021 1.00 0.00 C ATOM 1737 C HIS A 109 6.768 -6.823 -11.973 1.00 0.00 C ATOM 1738 O HIS A 109 6.581 -7.209 -13.129 1.00 0.00 O ATOM 1739 CB HIS A 109 6.786 -8.382 -9.994 1.00 0.00 C ATOM 1740 CG HIS A 109 7.524 -9.348 -9.109 1.00 0.00 C ATOM 1741 ND1 HIS A 109 8.086 -10.558 -9.524 1.00 0.00 N ATOM 1742 CD2 HIS A 109 7.718 -9.203 -7.766 1.00 0.00 C ATOM 1743 CE1 HIS A 109 8.619 -11.104 -8.417 1.00 0.00 C ATOM 1744 NE2 HIS A 109 8.412 -10.315 -7.348 1.00 0.00 N ATOM 0 H HIS A 109 8.314 -5.991 -9.908 1.00 0.00 H new ATOM 0 HA HIS A 109 8.204 -8.353 -11.650 1.00 0.00 H new ATOM 0 HB2 HIS A 109 6.289 -7.643 -9.366 1.00 0.00 H new ATOM 0 HB3 HIS A 109 6.005 -8.924 -10.527 1.00 0.00 H new ATOM 0 HD2 HIS A 109 7.391 -8.377 -7.152 1.00 0.00 H new ATOM 0 HE1 HIS A 109 9.142 -12.048 -8.390 1.00 0.00 H new ATOM 0 HE2 HIS A 109 8.716 -10.507 -6.394 1.00 0.00 H new ATOM 1752 N CYS A 110 6.238 -5.673 -11.533 1.00 0.00 N ATOM 1753 CA CYS A 110 5.218 -4.913 -12.287 1.00 0.00 C ATOM 1754 C CYS A 110 5.727 -4.228 -13.573 1.00 0.00 C ATOM 1755 O CYS A 110 4.925 -3.729 -14.361 1.00 0.00 O ATOM 1756 CB CYS A 110 4.535 -3.894 -11.365 1.00 0.00 C ATOM 1757 SG CYS A 110 3.945 -4.556 -9.785 1.00 0.00 S ATOM 0 H CYS A 110 6.500 -5.240 -10.647 1.00 0.00 H new ATOM 0 HA CYS A 110 4.500 -5.656 -12.634 1.00 0.00 H new ATOM 0 HB2 CYS A 110 5.236 -3.085 -11.162 1.00 0.00 H new ATOM 0 HB3 CYS A 110 3.689 -3.457 -11.896 1.00 0.00 H new ATOM 0 HG CYS A 110 2.795 -5.136 -9.960 1.00 0.00 H new ATOM 1762 N GLN A 111 7.043 -4.227 -13.818 1.00 0.00 N ATOM 1763 CA GLN A 111 7.645 -3.721 -15.061 1.00 0.00 C ATOM 1764 C GLN A 111 7.445 -4.674 -16.256 1.00 0.00 C ATOM 1765 O GLN A 111 7.529 -4.231 -17.404 1.00 0.00 O ATOM 1766 CB GLN A 111 9.153 -3.472 -14.862 1.00 0.00 C ATOM 1767 CG GLN A 111 9.503 -2.518 -13.708 1.00 0.00 C ATOM 1768 CD GLN A 111 8.870 -1.131 -13.849 1.00 0.00 C ATOM 1769 OE1 GLN A 111 9.123 -0.391 -14.792 1.00 0.00 O ATOM 1770 NE2 GLN A 111 8.026 -0.726 -12.924 1.00 0.00 N ATOM 0 H GLN A 111 7.729 -4.581 -13.152 1.00 0.00 H new ATOM 0 HA GLN A 111 7.133 -2.787 -15.293 1.00 0.00 H new ATOM 0 HB2 GLN A 111 9.645 -4.429 -14.685 1.00 0.00 H new ATOM 0 HB3 GLN A 111 9.565 -3.068 -15.787 1.00 0.00 H new ATOM 0 HG2 GLN A 111 9.178 -2.963 -12.768 1.00 0.00 H new ATOM 0 HG3 GLN A 111 10.586 -2.410 -13.652 1.00 0.00 H new ATOM 0 HE21 GLN A 111 7.806 -1.332 -12.133 1.00 0.00 H new ATOM 0 HE22 GLN A 111 7.591 0.194 -12.998 1.00 0.00 H new ATOM 1779 N GLY A 112 7.173 -5.968 -16.013 1.00 0.00 N ATOM 1780 CA GLY A 112 7.007 -6.977 -17.070 1.00 0.00 C ATOM 1781 C GLY A 112 5.627 -6.942 -17.729 1.00 0.00 C ATOM 1782 O GLY A 112 5.516 -7.161 -18.934 1.00 0.00 O ATOM 0 H GLY A 112 7.062 -6.344 -15.071 1.00 0.00 H new ATOM 0 HA2 GLY A 112 7.770 -6.823 -17.833 1.00 0.00 H new ATOM 0 HA3 GLY A 112 7.175 -7.967 -16.647 1.00 0.00 H new ATOM 1786 N SER A 113 4.584 -6.648 -16.950 1.00 0.00 N ATOM 1787 CA SER A 113 3.172 -6.535 -17.345 1.00 0.00 C ATOM 1788 C SER A 113 2.323 -6.036 -16.163 1.00 0.00 C ATOM 1789 O SER A 113 2.613 -6.357 -15.006 1.00 0.00 O ATOM 1790 CB SER A 113 2.612 -7.896 -17.805 1.00 0.00 C ATOM 1791 OG SER A 113 2.879 -8.160 -19.176 1.00 0.00 O ATOM 0 H SER A 113 4.710 -6.469 -15.954 1.00 0.00 H new ATOM 0 HA SER A 113 3.122 -5.825 -18.171 1.00 0.00 H new ATOM 0 HB2 SER A 113 3.045 -8.688 -17.195 1.00 0.00 H new ATOM 0 HB3 SER A 113 1.535 -7.917 -17.637 1.00 0.00 H new ATOM 0 HG SER A 113 3.796 -7.888 -19.389 1.00 0.00 H new ATOM 1797 N LEU A 114 1.250 -5.286 -16.450 1.00 0.00 N ATOM 1798 CA LEU A 114 0.222 -4.882 -15.485 1.00 0.00 C ATOM 1799 C LEU A 114 -1.114 -5.599 -15.778 1.00 0.00 C ATOM 1800 O LEU A 114 -1.419 -5.841 -16.952 1.00 0.00 O ATOM 1801 CB LEU A 114 0.037 -3.357 -15.564 1.00 0.00 C ATOM 1802 CG LEU A 114 1.273 -2.524 -15.166 1.00 0.00 C ATOM 1803 CD1 LEU A 114 0.982 -1.046 -15.451 1.00 0.00 C ATOM 1804 CD2 LEU A 114 1.634 -2.711 -13.687 1.00 0.00 C ATOM 0 H LEU A 114 1.069 -4.934 -17.390 1.00 0.00 H new ATOM 0 HA LEU A 114 0.540 -5.163 -14.481 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -0.246 -3.094 -16.583 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -0.795 -3.074 -14.919 1.00 0.00 H new ATOM 0 HG LEU A 114 2.126 -2.865 -15.753 1.00 0.00 H new ATOM 0 HD11 LEU A 114 1.848 -0.445 -15.174 1.00 0.00 H new ATOM 0 HD12 LEU A 114 0.773 -0.914 -16.513 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.117 -0.727 -14.869 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.510 -2.108 -13.447 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.796 -2.397 -13.065 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.854 -3.761 -13.496 1.00 0.00 H new ATOM 1816 N PRO A 115 -1.939 -5.899 -14.756 1.00 0.00 N ATOM 1817 CA PRO A 115 -3.243 -6.520 -14.935 1.00 0.00 C ATOM 1818 C PRO A 115 -4.237 -5.528 -15.542 1.00 0.00 C ATOM 1819 O PRO A 115 -4.139 -4.320 -15.321 1.00 0.00 O ATOM 1820 CB PRO A 115 -3.678 -6.953 -13.533 1.00 0.00 C ATOM 1821 CG PRO A 115 -3.029 -5.908 -12.627 1.00 0.00 C ATOM 1822 CD PRO A 115 -1.714 -5.612 -13.346 1.00 0.00 C ATOM 0 HA PRO A 115 -3.202 -7.366 -15.621 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -4.763 -6.956 -13.431 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -3.333 -7.960 -13.298 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -3.647 -5.016 -12.530 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -2.863 -6.292 -11.620 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -1.420 -4.572 -13.204 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -0.908 -6.228 -12.949 1.00 0.00 H new ATOM 1830 N ASP A 116 -5.209 -6.038 -16.299 1.00 0.00 N ATOM 1831 CA ASP A 116 -6.342 -5.247 -16.787 1.00 0.00 C ATOM 1832 C ASP A 116 -7.389 -5.016 -15.677 1.00 0.00 C ATOM 1833 O ASP A 116 -7.613 -5.853 -14.799 1.00 0.00 O ATOM 1834 CB ASP A 116 -6.960 -5.919 -18.026 1.00 0.00 C ATOM 1835 CG ASP A 116 -8.133 -5.125 -18.634 1.00 0.00 C ATOM 1836 OD1 ASP A 116 -8.131 -3.869 -18.562 1.00 0.00 O ATOM 1837 OD2 ASP A 116 -9.066 -5.763 -19.173 1.00 0.00 O ATOM 0 H ASP A 116 -5.234 -7.015 -16.593 1.00 0.00 H new ATOM 0 HA ASP A 116 -5.977 -4.263 -17.081 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -6.187 -6.048 -18.784 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -7.308 -6.915 -17.754 1.00 0.00 H new ATOM 1842 N ILE A 117 -8.040 -3.856 -15.755 1.00 0.00 N ATOM 1843 CA ILE A 117 -9.063 -3.352 -14.824 1.00 0.00 C ATOM 1844 C ILE A 117 -10.314 -2.825 -15.548 1.00 0.00 C ATOM 1845 O ILE A 117 -11.236 -2.334 -14.907 1.00 0.00 O ATOM 1846 CB ILE A 117 -8.459 -2.250 -13.925 1.00 0.00 C ATOM 1847 CG1 ILE A 117 -8.003 -1.053 -14.792 1.00 0.00 C ATOM 1848 CG2 ILE A 117 -7.324 -2.810 -13.044 1.00 0.00 C ATOM 1849 CD1 ILE A 117 -7.642 0.172 -13.968 1.00 0.00 C ATOM 0 H ILE A 117 -7.860 -3.199 -16.514 1.00 0.00 H new ATOM 0 HA ILE A 117 -9.384 -4.193 -14.210 1.00 0.00 H new ATOM 0 HB ILE A 117 -9.226 -1.887 -13.241 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -7.140 -1.351 -15.388 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -8.798 -0.793 -15.490 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -6.918 -2.012 -12.422 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -7.716 -3.603 -12.407 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -6.535 -3.212 -13.679 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -7.330 0.978 -14.632 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -8.510 0.492 -13.392 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -6.826 -0.074 -13.288 1.00 0.00 H new ATOM 1861 N SER A 118 -10.353 -2.887 -16.878 1.00 0.00 N ATOM 1862 CA SER A 118 -11.419 -2.302 -17.716 1.00 0.00 C ATOM 1863 C SER A 118 -12.818 -2.922 -17.497 1.00 0.00 C ATOM 1864 O SER A 118 -13.827 -2.362 -17.929 1.00 0.00 O ATOM 1865 CB SER A 118 -11.043 -2.412 -19.204 1.00 0.00 C ATOM 1866 OG SER A 118 -9.760 -1.863 -19.485 1.00 0.00 O ATOM 0 H SER A 118 -9.630 -3.355 -17.424 1.00 0.00 H new ATOM 0 HA SER A 118 -11.492 -1.259 -17.406 1.00 0.00 H new ATOM 0 HB2 SER A 118 -11.059 -3.460 -19.503 1.00 0.00 H new ATOM 0 HB3 SER A 118 -11.794 -1.898 -19.804 1.00 0.00 H new ATOM 0 HG SER A 118 -9.065 -2.491 -19.197 1.00 0.00 H new ATOM 1872 N SER A 119 -12.902 -4.062 -16.808 1.00 0.00 N ATOM 1873 CA SER A 119 -14.144 -4.718 -16.374 1.00 0.00 C ATOM 1874 C SER A 119 -14.652 -4.256 -14.990 1.00 0.00 C ATOM 1875 O SER A 119 -15.782 -4.583 -14.608 1.00 0.00 O ATOM 1876 CB SER A 119 -13.901 -6.235 -16.356 1.00 0.00 C ATOM 1877 OG SER A 119 -12.742 -6.573 -15.597 1.00 0.00 O ATOM 0 H SER A 119 -12.070 -4.579 -16.523 1.00 0.00 H new ATOM 0 HA SER A 119 -14.924 -4.438 -17.082 1.00 0.00 H new ATOM 0 HB2 SER A 119 -14.771 -6.738 -15.935 1.00 0.00 H new ATOM 0 HB3 SER A 119 -13.786 -6.598 -17.377 1.00 0.00 H new ATOM 0 HG SER A 119 -12.618 -7.545 -15.605 1.00 0.00 H new ATOM 1883 N CYS A 120 -13.841 -3.497 -14.241 1.00 0.00 N ATOM 1884 CA CYS A 120 -14.112 -3.028 -12.878 1.00 0.00 C ATOM 1885 C CYS A 120 -14.818 -1.655 -12.862 1.00 0.00 C ATOM 1886 O CYS A 120 -14.298 -0.685 -13.463 1.00 0.00 O ATOM 1887 CB CYS A 120 -12.787 -2.987 -12.100 1.00 0.00 C ATOM 1888 SG CYS A 120 -11.808 -4.515 -12.129 1.00 0.00 S ATOM 1889 OXT CYS A 120 -15.864 -1.533 -12.188 1.00 0.00 O ATOM 0 H CYS A 120 -12.936 -3.179 -14.587 1.00 0.00 H new ATOM 0 HA CYS A 120 -14.800 -3.723 -12.397 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -12.176 -2.179 -12.502 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -13.004 -2.737 -11.062 1.00 0.00 H new ATOM 0 HG CYS A 120 -10.719 -4.346 -11.440 1.00 0.00 H new