USER MOD reduce.3.24.130724 H: found=0, std=0, add=924, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 922 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 66 HIS : no HD1:sc= -0.46 K(o=-0.93,f=-2.2) USER MOD Set 1.2: A 67 ASN : amide:sc= -0.466 K(o=-0.93,f=-3.1) USER MOD Set 2.1: A 62 THR OG1 : rot -99:sc= 0.00737 USER MOD Set 2.2: A 64 GLN : amide:sc= 0.137 K(o=0.14,f=-4.8!) USER MOD Single : A 1 GLY N :NH3+ -105:sc= 0.0618 (180deg=0) USER MOD Single : A 2 SER OG : rot 22:sc= 1.03 USER MOD Single : A 3 SER OG : rot 16:sc= 1.22 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 32:sc= 0.827 USER MOD Single : A 12 LYS NZ :NH3+ -121:sc= -1.46! (180deg=-3.58!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -46:sc= 0.0696 USER MOD Single : A 24 CYS SG : rot 180:sc= -1.12 USER MOD Single : A 27 LYS NZ :NH3+ -131:sc= -0.317 (180deg=-2.52!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 45 ASN :FLIP amide:sc= -4.66! C(o=-7.5!,f=-4.7!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 148:sc= -0.0372 (180deg=-0.824) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0808 USER MOD Single : A 70 HIS : no HE2:sc= -1.12 K(o=-1.1,f=-1.7) USER MOD Single : A 74 HIS :FLIP no HD1:sc= -0.0138 F(o=-0.6,f=-0.014) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.149) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 31:sc= 0.68 USER MOD Single : A 94 CYS SG : rot -77:sc= 0.332 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 0.00148 X(o=0.0015,f=0) USER MOD Single : A 103 TYR OH : rot 30:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -2.71! C(o=-2.7!,f=-12!) USER MOD Single : A 108 THR OG1 : rot -23:sc= 0.728 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00235) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.710 -1.779 -44.787 1.00 0.00 N ATOM 2 CA GLY A 1 25.833 -1.666 -43.636 1.00 0.00 C ATOM 3 C GLY A 1 25.928 -2.866 -42.716 1.00 0.00 C ATOM 4 O GLY A 1 26.417 -3.924 -43.112 1.00 0.00 O ATOM 0 H1 GLY A 1 27.531 -1.154 -44.660 1.00 0.00 H new ATOM 0 H2 GLY A 1 27.035 -2.762 -44.881 1.00 0.00 H new ATOM 0 H3 GLY A 1 26.193 -1.502 -45.646 1.00 0.00 H new ATOM 0 HA2 GLY A 1 26.084 -0.764 -43.079 1.00 0.00 H new ATOM 0 HA3 GLY A 1 24.804 -1.554 -43.977 1.00 0.00 H new ATOM 8 N SER A 2 25.461 -2.702 -41.481 1.00 0.00 N ATOM 9 CA SER A 2 25.501 -3.779 -40.500 1.00 0.00 C ATOM 10 C SER A 2 24.519 -3.513 -39.363 1.00 0.00 C ATOM 11 O SER A 2 24.227 -2.363 -39.035 1.00 0.00 O ATOM 12 CB SER A 2 26.916 -3.935 -39.941 1.00 0.00 C ATOM 13 OG SER A 2 27.745 -4.645 -40.843 1.00 0.00 O ATOM 0 H SER A 2 25.051 -1.834 -41.137 1.00 0.00 H new ATOM 0 HA SER A 2 25.211 -4.704 -40.999 1.00 0.00 H new ATOM 0 HB2 SER A 2 27.344 -2.952 -39.746 1.00 0.00 H new ATOM 0 HB3 SER A 2 26.878 -4.461 -38.987 1.00 0.00 H new ATOM 0 HG SER A 2 27.376 -4.578 -41.748 1.00 0.00 H new ATOM 19 N SER A 3 24.011 -4.586 -38.764 1.00 0.00 N ATOM 20 CA SER A 3 23.060 -4.471 -37.665 1.00 0.00 C ATOM 21 C SER A 3 22.939 -5.791 -36.911 1.00 0.00 C ATOM 22 O SER A 3 23.472 -6.815 -37.337 1.00 0.00 O ATOM 23 CB SER A 3 21.688 -4.046 -38.195 1.00 0.00 C ATOM 24 OG SER A 3 21.648 -2.651 -38.443 1.00 0.00 O ATOM 0 H SER A 3 24.243 -5.545 -39.022 1.00 0.00 H new ATOM 0 HA SER A 3 23.428 -3.711 -36.975 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.465 -4.589 -39.114 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.917 -4.313 -37.472 1.00 0.00 H new ATOM 0 HG SER A 3 22.561 -2.296 -38.465 1.00 0.00 H new ATOM 30 N GLY A 4 22.232 -5.760 -35.786 1.00 0.00 N ATOM 31 CA GLY A 4 22.053 -6.959 -34.988 1.00 0.00 C ATOM 32 C GLY A 4 21.389 -6.675 -33.654 1.00 0.00 C ATOM 33 O GLY A 4 21.980 -6.036 -32.784 1.00 0.00 O ATOM 0 H GLY A 4 21.780 -4.926 -35.413 1.00 0.00 H new ATOM 0 HA2 GLY A 4 21.450 -7.676 -35.545 1.00 0.00 H new ATOM 0 HA3 GLY A 4 23.023 -7.425 -34.815 1.00 0.00 H new ATOM 37 N SER A 5 20.159 -7.149 -33.494 1.00 0.00 N ATOM 38 CA SER A 5 19.412 -6.938 -32.260 1.00 0.00 C ATOM 39 C SER A 5 18.238 -7.908 -32.162 1.00 0.00 C ATOM 40 O SER A 5 17.934 -8.630 -33.111 1.00 0.00 O ATOM 41 CB SER A 5 18.905 -5.496 -32.186 1.00 0.00 C ATOM 42 OG SER A 5 18.181 -5.150 -33.354 1.00 0.00 O ATOM 0 H SER A 5 19.658 -7.683 -34.204 1.00 0.00 H new ATOM 0 HA SER A 5 20.084 -7.123 -31.422 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.267 -5.376 -31.310 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.748 -4.816 -32.062 1.00 0.00 H new ATOM 0 HG SER A 5 17.866 -4.225 -33.282 1.00 0.00 H new ATOM 48 N SER A 6 17.582 -7.918 -31.006 1.00 0.00 N ATOM 49 CA SER A 6 16.444 -8.801 -30.780 1.00 0.00 C ATOM 50 C SER A 6 15.257 -8.026 -30.218 1.00 0.00 C ATOM 51 O SER A 6 15.227 -7.685 -29.037 1.00 0.00 O ATOM 52 CB SER A 6 16.829 -9.931 -29.823 1.00 0.00 C ATOM 53 OG SER A 6 17.237 -9.417 -28.567 1.00 0.00 O ATOM 0 H SER A 6 17.819 -7.324 -30.211 1.00 0.00 H new ATOM 0 HA SER A 6 16.154 -9.230 -31.739 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.981 -10.602 -29.687 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.636 -10.521 -30.258 1.00 0.00 H new ATOM 0 HG SER A 6 16.750 -8.587 -28.379 1.00 0.00 H new ATOM 59 N GLY A 7 14.279 -7.748 -31.077 1.00 0.00 N ATOM 60 CA GLY A 7 13.103 -7.014 -30.648 1.00 0.00 C ATOM 61 C GLY A 7 13.430 -5.935 -29.634 1.00 0.00 C ATOM 62 O GLY A 7 13.234 -6.122 -28.434 1.00 0.00 O ATOM 0 H GLY A 7 14.281 -8.018 -32.061 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.626 -6.560 -31.516 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.383 -7.709 -30.215 1.00 0.00 H new ATOM 66 N GLU A 8 13.931 -4.802 -30.119 1.00 0.00 N ATOM 67 CA GLU A 8 14.288 -3.691 -29.245 1.00 0.00 C ATOM 68 C GLU A 8 13.043 -3.070 -28.619 1.00 0.00 C ATOM 69 O GLU A 8 13.138 -2.211 -27.741 1.00 0.00 O ATOM 70 CB GLU A 8 15.064 -2.628 -30.025 1.00 0.00 C ATOM 71 CG GLU A 8 16.536 -2.958 -30.205 1.00 0.00 C ATOM 72 CD GLU A 8 17.387 -1.725 -30.433 1.00 0.00 C ATOM 73 OE1 GLU A 8 17.357 -1.183 -31.558 1.00 0.00 O ATOM 74 OE2 GLU A 8 18.083 -1.300 -29.487 1.00 0.00 O ATOM 0 H GLU A 8 14.098 -4.630 -31.110 1.00 0.00 H new ATOM 0 HA GLU A 8 14.920 -4.079 -28.447 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.606 -2.503 -31.006 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.975 -1.673 -29.508 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.897 -3.485 -29.322 1.00 0.00 H new ATOM 0 HG3 GLU A 8 16.652 -3.636 -31.051 1.00 0.00 H new ATOM 81 N VAL A 9 11.875 -3.511 -29.076 1.00 0.00 N ATOM 82 CA VAL A 9 10.610 -2.999 -28.561 1.00 0.00 C ATOM 83 C VAL A 9 9.603 -4.125 -28.359 1.00 0.00 C ATOM 84 O VAL A 9 9.127 -4.729 -29.321 1.00 0.00 O ATOM 85 CB VAL A 9 10.003 -1.946 -29.508 1.00 0.00 C ATOM 86 CG1 VAL A 9 10.913 -0.731 -29.609 1.00 0.00 C ATOM 87 CG2 VAL A 9 9.751 -2.550 -30.881 1.00 0.00 C ATOM 0 H VAL A 9 11.778 -4.221 -29.802 1.00 0.00 H new ATOM 0 HA VAL A 9 10.826 -2.531 -27.600 1.00 0.00 H new ATOM 0 HB VAL A 9 9.047 -1.620 -29.098 1.00 0.00 H new ATOM 0 HG11 VAL A 9 10.468 0.002 -30.282 1.00 0.00 H new ATOM 0 HG12 VAL A 9 11.039 -0.287 -28.621 1.00 0.00 H new ATOM 0 HG13 VAL A 9 11.885 -1.036 -29.996 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.322 -1.793 -31.538 1.00 0.00 H new ATOM 0 HG22 VAL A 9 10.692 -2.904 -31.301 1.00 0.00 H new ATOM 0 HG23 VAL A 9 9.058 -3.386 -30.789 1.00 0.00 H new ATOM 97 N LEU A 10 9.282 -4.405 -27.100 1.00 0.00 N ATOM 98 CA LEU A 10 8.330 -5.460 -26.770 1.00 0.00 C ATOM 99 C LEU A 10 7.386 -5.014 -25.659 1.00 0.00 C ATOM 100 O LEU A 10 7.782 -4.913 -24.498 1.00 0.00 O ATOM 101 CB LEU A 10 9.071 -6.729 -26.346 1.00 0.00 C ATOM 102 CG LEU A 10 8.307 -8.042 -26.518 1.00 0.00 C ATOM 103 CD1 LEU A 10 9.267 -9.221 -26.535 1.00 0.00 C ATOM 104 CD2 LEU A 10 7.276 -8.208 -25.411 1.00 0.00 C ATOM 0 H LEU A 10 9.667 -3.916 -26.292 1.00 0.00 H new ATOM 0 HA LEU A 10 7.739 -5.672 -27.661 1.00 0.00 H new ATOM 0 HB2 LEU A 10 9.997 -6.793 -26.918 1.00 0.00 H new ATOM 0 HB3 LEU A 10 9.350 -6.629 -25.297 1.00 0.00 H new ATOM 0 HG LEU A 10 7.784 -8.012 -27.474 1.00 0.00 H new ATOM 0 HD11 LEU A 10 8.704 -10.146 -26.658 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.967 -9.109 -27.363 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.819 -9.254 -25.596 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.742 -9.148 -25.549 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.779 -8.215 -24.444 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.568 -7.380 -25.446 1.00 0.00 H new ATOM 116 N ALA A 11 6.135 -4.749 -26.022 1.00 0.00 N ATOM 117 CA ALA A 11 5.134 -4.318 -25.054 1.00 0.00 C ATOM 118 C ALA A 11 3.986 -5.318 -24.969 1.00 0.00 C ATOM 119 O ALA A 11 3.013 -5.103 -24.245 1.00 0.00 O ATOM 120 CB ALA A 11 4.608 -2.937 -25.418 1.00 0.00 C ATOM 0 H ALA A 11 5.791 -4.825 -26.979 1.00 0.00 H new ATOM 0 HA ALA A 11 5.610 -4.267 -24.075 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.861 -2.628 -24.687 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.432 -2.223 -25.420 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.154 -2.970 -26.408 1.00 0.00 H new ATOM 126 N LYS A 12 4.103 -6.410 -25.716 1.00 0.00 N ATOM 127 CA LYS A 12 3.075 -7.445 -25.725 1.00 0.00 C ATOM 128 C LYS A 12 3.027 -8.176 -24.388 1.00 0.00 C ATOM 129 O LYS A 12 2.084 -8.914 -24.108 1.00 0.00 O ATOM 130 CB LYS A 12 3.337 -8.443 -26.855 1.00 0.00 C ATOM 131 CG LYS A 12 4.486 -9.396 -26.570 1.00 0.00 C ATOM 132 CD LYS A 12 4.252 -10.757 -27.205 1.00 0.00 C ATOM 133 CE LYS A 12 3.062 -11.466 -26.576 1.00 0.00 C ATOM 134 NZ LYS A 12 1.800 -11.195 -27.316 1.00 0.00 N ATOM 0 H LYS A 12 4.900 -6.602 -26.324 1.00 0.00 H new ATOM 0 HA LYS A 12 2.111 -6.963 -25.890 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.431 -9.022 -27.034 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.551 -7.893 -27.772 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.415 -8.971 -26.950 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.605 -9.512 -25.493 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.082 -10.637 -28.275 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.145 -11.371 -27.092 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.248 -12.540 -26.557 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.952 -11.143 -25.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.110 -10.752 -26.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.995 -10.554 -28.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.411 -12.089 -27.679 1.00 0.00 H new ATOM 148 N GLU A 13 4.050 -7.965 -23.565 1.00 0.00 N ATOM 149 CA GLU A 13 4.122 -8.604 -22.257 1.00 0.00 C ATOM 150 C GLU A 13 3.877 -7.592 -21.142 1.00 0.00 C ATOM 151 O GLU A 13 4.527 -6.549 -21.084 1.00 0.00 O ATOM 152 CB GLU A 13 5.487 -9.271 -22.065 1.00 0.00 C ATOM 153 CG GLU A 13 6.656 -8.310 -22.196 1.00 0.00 C ATOM 154 CD GLU A 13 7.058 -7.696 -20.869 1.00 0.00 C ATOM 155 OE1 GLU A 13 7.253 -8.456 -19.898 1.00 0.00 O ATOM 156 OE2 GLU A 13 7.176 -6.454 -20.801 1.00 0.00 O ATOM 0 H GLU A 13 4.840 -7.357 -23.781 1.00 0.00 H new ATOM 0 HA GLU A 13 3.343 -9.365 -22.210 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.519 -9.737 -21.080 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.599 -10.069 -22.799 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.510 -8.838 -22.621 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.392 -7.516 -22.894 1.00 0.00 H new ATOM 163 N GLU A 14 2.934 -7.909 -20.260 1.00 0.00 N ATOM 164 CA GLU A 14 2.603 -7.026 -19.147 1.00 0.00 C ATOM 165 C GLU A 14 2.118 -7.827 -17.942 1.00 0.00 C ATOM 166 O GLU A 14 1.905 -9.036 -18.033 1.00 0.00 O ATOM 167 CB GLU A 14 1.530 -6.019 -19.569 1.00 0.00 C ATOM 168 CG GLU A 14 1.997 -5.043 -20.636 1.00 0.00 C ATOM 169 CD GLU A 14 0.849 -4.299 -21.288 1.00 0.00 C ATOM 170 OE1 GLU A 14 -0.080 -4.966 -21.791 1.00 0.00 O ATOM 171 OE2 GLU A 14 0.878 -3.051 -21.297 1.00 0.00 O ATOM 0 H GLU A 14 2.387 -8.769 -20.294 1.00 0.00 H new ATOM 0 HA GLU A 14 3.507 -6.487 -18.863 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.661 -6.562 -19.940 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.205 -5.458 -18.693 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.684 -4.324 -20.190 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.554 -5.585 -21.400 1.00 0.00 H new ATOM 178 N ALA A 15 1.948 -7.144 -16.815 1.00 0.00 N ATOM 179 CA ALA A 15 1.488 -7.792 -15.592 1.00 0.00 C ATOM 180 C ALA A 15 0.744 -6.807 -14.697 1.00 0.00 C ATOM 181 O ALA A 15 1.002 -5.604 -14.733 1.00 0.00 O ATOM 182 CB ALA A 15 2.662 -8.403 -14.844 1.00 0.00 C ATOM 0 H ALA A 15 2.122 -6.143 -16.723 1.00 0.00 H new ATOM 0 HA ALA A 15 0.796 -8.587 -15.870 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.303 -8.883 -13.934 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.151 -9.144 -15.477 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.375 -7.621 -14.585 1.00 0.00 H new ATOM 188 N ARG A 16 -0.183 -7.326 -13.897 1.00 0.00 N ATOM 189 CA ARG A 16 -0.966 -6.491 -12.994 1.00 0.00 C ATOM 190 C ARG A 16 -0.831 -6.973 -11.553 1.00 0.00 C ATOM 191 O ARG A 16 -1.183 -6.260 -10.613 1.00 0.00 O ATOM 192 CB ARG A 16 -2.439 -6.497 -13.408 1.00 0.00 C ATOM 193 CG ARG A 16 -3.159 -7.794 -13.078 1.00 0.00 C ATOM 194 CD ARG A 16 -4.533 -7.848 -13.728 1.00 0.00 C ATOM 195 NE ARG A 16 -5.036 -9.215 -13.830 1.00 0.00 N ATOM 196 CZ ARG A 16 -6.204 -9.529 -14.379 1.00 0.00 C ATOM 197 NH1 ARG A 16 -6.986 -8.579 -14.872 1.00 0.00 N ATOM 198 NH2 ARG A 16 -6.593 -10.797 -14.435 1.00 0.00 N ATOM 0 H ARG A 16 -0.410 -8.320 -13.856 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.581 -5.473 -13.056 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.950 -5.671 -12.913 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.507 -6.316 -14.481 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.561 -8.640 -13.417 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.262 -7.890 -11.997 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.233 -7.247 -13.148 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.481 -7.405 -14.723 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.459 -9.970 -13.459 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -6.691 -7.603 -14.830 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.882 -8.824 -15.293 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.995 -11.531 -14.056 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.490 -11.037 -14.857 1.00 0.00 H new ATOM 212 N ARG A 17 -0.318 -8.189 -11.386 1.00 0.00 N ATOM 213 CA ARG A 17 -0.138 -8.767 -10.060 1.00 0.00 C ATOM 214 C ARG A 17 -1.249 -8.319 -9.116 1.00 0.00 C ATOM 215 O ARG A 17 -0.985 -7.802 -8.031 1.00 0.00 O ATOM 216 CB ARG A 17 1.224 -8.369 -9.487 1.00 0.00 C ATOM 217 CG ARG A 17 1.397 -6.869 -9.316 1.00 0.00 C ATOM 218 CD ARG A 17 2.865 -6.486 -9.208 1.00 0.00 C ATOM 219 NE ARG A 17 3.437 -6.867 -7.919 1.00 0.00 N ATOM 220 CZ ARG A 17 4.743 -6.945 -7.689 1.00 0.00 C ATOM 221 NH1 ARG A 17 5.607 -6.672 -8.655 1.00 0.00 N ATOM 222 NH2 ARG A 17 5.186 -7.298 -6.489 1.00 0.00 N ATOM 0 H ARG A 17 -0.020 -8.792 -12.153 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.181 -9.852 -10.156 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.358 -8.854 -8.520 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.009 -8.744 -10.144 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.946 -6.351 -10.162 1.00 0.00 H new ATOM 0 HG3 ARG A 17 0.867 -6.540 -8.422 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.425 -6.967 -10.010 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.970 -5.410 -9.347 1.00 0.00 H new ATOM 0 HE ARG A 17 2.799 -7.085 -7.154 1.00 0.00 H new ATOM 0 HH11 ARG A 17 5.270 -6.401 -9.579 1.00 0.00 H new ATOM 0 HH12 ARG A 17 6.609 -6.733 -8.475 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.524 -7.510 -5.743 1.00 0.00 H new ATOM 0 HH22 ARG A 17 6.189 -7.358 -6.313 1.00 0.00 H new ATOM 236 N ALA A 18 -2.494 -8.519 -9.538 1.00 0.00 N ATOM 237 CA ALA A 18 -3.645 -8.137 -8.730 1.00 0.00 C ATOM 238 C ALA A 18 -4.515 -9.347 -8.407 1.00 0.00 C ATOM 239 O ALA A 18 -5.743 -9.278 -8.481 1.00 0.00 O ATOM 240 CB ALA A 18 -4.462 -7.072 -9.445 1.00 0.00 C ATOM 0 H ALA A 18 -2.730 -8.943 -10.435 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.277 -7.726 -7.790 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.318 -6.796 -8.830 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -3.842 -6.193 -9.618 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.812 -7.463 -10.400 1.00 0.00 H new ATOM 246 N LEU A 19 -3.874 -10.454 -8.052 1.00 0.00 N ATOM 247 CA LEU A 19 -4.590 -11.680 -7.719 1.00 0.00 C ATOM 248 C LEU A 19 -4.944 -11.719 -6.236 1.00 0.00 C ATOM 249 O LEU A 19 -6.018 -12.185 -5.857 1.00 0.00 O ATOM 250 CB LEU A 19 -3.746 -12.902 -8.084 1.00 0.00 C ATOM 251 CG LEU A 19 -2.297 -12.889 -7.594 1.00 0.00 C ATOM 252 CD1 LEU A 19 -1.791 -14.308 -7.383 1.00 0.00 C ATOM 253 CD2 LEU A 19 -1.407 -12.145 -8.580 1.00 0.00 C ATOM 0 H LEU A 19 -2.859 -10.528 -7.987 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.515 -11.698 -8.295 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.236 -13.789 -7.683 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.740 -13.004 -9.169 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.262 -12.367 -6.638 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.759 -14.278 -7.035 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.411 -14.808 -6.639 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.840 -14.856 -8.324 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.380 -12.146 -8.215 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.448 -12.639 -9.551 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.755 -11.117 -8.681 1.00 0.00 H new ATOM 265 N GLU A 20 -4.035 -11.223 -5.402 1.00 0.00 N ATOM 266 CA GLU A 20 -4.254 -11.200 -3.960 1.00 0.00 C ATOM 267 C GLU A 20 -4.027 -9.800 -3.398 1.00 0.00 C ATOM 268 O GLU A 20 -4.757 -9.347 -2.515 1.00 0.00 O ATOM 269 CB GLU A 20 -3.324 -12.198 -3.265 1.00 0.00 C ATOM 270 CG GLU A 20 -3.418 -13.607 -3.823 1.00 0.00 C ATOM 271 CD GLU A 20 -2.393 -14.545 -3.214 1.00 0.00 C ATOM 272 OE1 GLU A 20 -1.271 -14.628 -3.755 1.00 0.00 O ATOM 273 OE2 GLU A 20 -2.714 -15.194 -2.197 1.00 0.00 O ATOM 0 H GLU A 20 -3.141 -10.832 -5.700 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.289 -11.485 -3.770 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.296 -11.848 -3.356 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.560 -12.221 -2.201 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.418 -14.000 -3.641 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.280 -13.576 -4.904 1.00 0.00 H new ATOM 280 N THR A 21 -3.010 -9.117 -3.916 1.00 0.00 N ATOM 281 CA THR A 21 -2.685 -7.770 -3.466 1.00 0.00 C ATOM 282 C THR A 21 -2.678 -6.788 -4.631 1.00 0.00 C ATOM 283 O THR A 21 -2.366 -7.140 -5.769 1.00 0.00 O ATOM 284 CB THR A 21 -1.315 -7.727 -2.764 1.00 0.00 C ATOM 285 OG1 THR A 21 -0.283 -7.459 -3.722 1.00 0.00 O ATOM 286 CG2 THR A 21 -1.027 -9.044 -2.058 1.00 0.00 C ATOM 0 H THR A 21 -2.397 -9.476 -4.648 1.00 0.00 H new ATOM 0 HA THR A 21 -3.458 -7.480 -2.755 1.00 0.00 H new ATOM 0 HB THR A 21 -1.337 -6.931 -2.020 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.585 -7.431 -3.268 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.054 -8.990 -1.569 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.798 -9.233 -1.311 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.022 -9.854 -2.787 1.00 0.00 H new ATOM 294 N PRO A 22 -3.030 -5.525 -4.344 1.00 0.00 N ATOM 295 CA PRO A 22 -3.070 -4.465 -5.356 1.00 0.00 C ATOM 296 C PRO A 22 -1.678 -4.072 -5.840 1.00 0.00 C ATOM 297 O PRO A 22 -0.686 -4.288 -5.145 1.00 0.00 O ATOM 298 CB PRO A 22 -3.730 -3.298 -4.620 1.00 0.00 C ATOM 299 CG PRO A 22 -3.435 -3.541 -3.180 1.00 0.00 C ATOM 300 CD PRO A 22 -3.414 -5.035 -3.010 1.00 0.00 C ATOM 0 HA PRO A 22 -3.604 -4.778 -6.253 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.325 -2.342 -4.951 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.804 -3.270 -4.805 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.478 -3.102 -2.898 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.194 -3.086 -2.544 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -2.698 -5.343 -2.248 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.388 -5.419 -2.706 1.00 0.00 H new ATOM 308 N SER A 23 -1.613 -3.494 -7.035 1.00 0.00 N ATOM 309 CA SER A 23 -0.343 -3.074 -7.613 1.00 0.00 C ATOM 310 C SER A 23 0.384 -2.107 -6.682 1.00 0.00 C ATOM 311 O SER A 23 1.573 -2.272 -6.405 1.00 0.00 O ATOM 312 CB SER A 23 -0.571 -2.414 -8.974 1.00 0.00 C ATOM 313 OG SER A 23 -1.295 -3.269 -9.841 1.00 0.00 O ATOM 0 H SER A 23 -2.426 -3.306 -7.622 1.00 0.00 H new ATOM 0 HA SER A 23 0.278 -3.960 -7.746 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.116 -1.479 -8.842 1.00 0.00 H new ATOM 0 HB3 SER A 23 0.389 -2.162 -9.425 1.00 0.00 H new ATOM 0 HG SER A 23 -0.916 -4.172 -9.802 1.00 0.00 H new ATOM 319 N CYS A 24 -0.338 -1.101 -6.204 1.00 0.00 N ATOM 320 CA CYS A 24 0.237 -0.106 -5.304 1.00 0.00 C ATOM 321 C CYS A 24 1.169 -0.764 -4.292 1.00 0.00 C ATOM 322 O CYS A 24 2.271 -0.277 -4.038 1.00 0.00 O ATOM 323 CB CYS A 24 -0.872 0.655 -4.576 1.00 0.00 C ATOM 324 SG CYS A 24 -1.923 -0.387 -3.537 1.00 0.00 S ATOM 0 H CYS A 24 -1.323 -0.952 -6.424 1.00 0.00 H new ATOM 0 HA CYS A 24 0.817 0.597 -5.901 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -0.420 1.429 -3.956 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.495 1.161 -5.313 1.00 0.00 H new ATOM 0 HG CYS A 24 -2.829 0.347 -2.962 1.00 0.00 H new ATOM 330 N PHE A 25 0.718 -1.873 -3.713 1.00 0.00 N ATOM 331 CA PHE A 25 1.510 -2.596 -2.726 1.00 0.00 C ATOM 332 C PHE A 25 2.945 -2.781 -3.209 1.00 0.00 C ATOM 333 O PHE A 25 3.198 -2.903 -4.409 1.00 0.00 O ATOM 334 CB PHE A 25 0.879 -3.958 -2.433 1.00 0.00 C ATOM 335 CG PHE A 25 1.701 -4.815 -1.514 1.00 0.00 C ATOM 336 CD1 PHE A 25 2.876 -5.402 -1.956 1.00 0.00 C ATOM 337 CD2 PHE A 25 1.300 -5.033 -0.205 1.00 0.00 C ATOM 338 CE1 PHE A 25 3.633 -6.191 -1.112 1.00 0.00 C ATOM 339 CE2 PHE A 25 2.055 -5.820 0.644 1.00 0.00 C ATOM 340 CZ PHE A 25 3.224 -6.400 0.190 1.00 0.00 C ATOM 0 H PHE A 25 -0.192 -2.290 -3.911 1.00 0.00 H new ATOM 0 HA PHE A 25 1.527 -2.007 -1.809 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -0.105 -3.806 -1.991 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.727 -4.489 -3.373 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.204 -5.241 -2.972 1.00 0.00 H new ATOM 0 HD2 PHE A 25 0.387 -4.583 0.156 1.00 0.00 H new ATOM 0 HE1 PHE A 25 4.545 -6.645 -1.471 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.731 -5.982 1.662 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.816 -7.015 0.852 1.00 0.00 H new ATOM 350 N LEU A 26 3.882 -2.800 -2.268 1.00 0.00 N ATOM 351 CA LEU A 26 5.294 -2.969 -2.596 1.00 0.00 C ATOM 352 C LEU A 26 6.049 -3.615 -1.438 1.00 0.00 C ATOM 353 O LEU A 26 5.668 -3.469 -0.277 1.00 0.00 O ATOM 354 CB LEU A 26 5.924 -1.618 -2.941 1.00 0.00 C ATOM 355 CG LEU A 26 5.222 -0.386 -2.369 1.00 0.00 C ATOM 356 CD1 LEU A 26 5.359 -0.348 -0.854 1.00 0.00 C ATOM 357 CD2 LEU A 26 5.786 0.884 -2.989 1.00 0.00 C ATOM 0 H LEU A 26 3.690 -2.700 -1.271 1.00 0.00 H new ATOM 0 HA LEU A 26 5.364 -3.627 -3.462 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.956 -1.620 -2.589 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.958 -1.522 -4.026 1.00 0.00 H new ATOM 0 HG LEU A 26 4.162 -0.448 -2.616 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.853 0.536 -0.465 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.908 -1.243 -0.425 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.415 -0.310 -0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.275 1.751 -2.571 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.852 0.952 -2.773 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.635 0.860 -4.068 1.00 0.00 H new ATOM 369 N LYS A 27 7.122 -4.327 -1.764 1.00 0.00 N ATOM 370 CA LYS A 27 7.934 -4.993 -0.752 1.00 0.00 C ATOM 371 C LYS A 27 9.058 -4.082 -0.271 1.00 0.00 C ATOM 372 O LYS A 27 10.050 -3.880 -0.971 1.00 0.00 O ATOM 373 CB LYS A 27 8.519 -6.292 -1.311 1.00 0.00 C ATOM 374 CG LYS A 27 7.637 -7.506 -1.081 1.00 0.00 C ATOM 375 CD LYS A 27 7.629 -7.918 0.382 1.00 0.00 C ATOM 376 CE LYS A 27 6.717 -9.113 0.619 1.00 0.00 C ATOM 377 NZ LYS A 27 6.581 -9.428 2.068 1.00 0.00 N ATOM 0 H LYS A 27 7.450 -4.458 -2.721 1.00 0.00 H new ATOM 0 HA LYS A 27 7.292 -5.227 0.097 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.687 -6.173 -2.381 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.492 -6.469 -0.853 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.620 -7.285 -1.404 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.992 -8.336 -1.692 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.643 -8.164 0.697 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.299 -7.080 0.996 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.733 -8.908 0.198 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.113 -9.982 0.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.741 -10.445 2.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.283 -8.883 2.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.625 -9.176 2.390 1.00 0.00 H new ATOM 391 N VAL A 28 8.898 -3.535 0.930 1.00 0.00 N ATOM 392 CA VAL A 28 9.900 -2.647 1.507 1.00 0.00 C ATOM 393 C VAL A 28 9.874 -2.704 3.030 1.00 0.00 C ATOM 394 O VAL A 28 8.931 -3.224 3.626 1.00 0.00 O ATOM 395 CB VAL A 28 9.687 -1.191 1.054 1.00 0.00 C ATOM 396 CG1 VAL A 28 9.421 -1.131 -0.443 1.00 0.00 C ATOM 397 CG2 VAL A 28 8.547 -0.553 1.832 1.00 0.00 C ATOM 0 H VAL A 28 8.083 -3.692 1.523 1.00 0.00 H new ATOM 0 HA VAL A 28 10.871 -2.992 1.151 1.00 0.00 H new ATOM 0 HB VAL A 28 10.597 -0.628 1.260 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.273 -0.094 -0.745 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.273 -1.547 -0.981 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.527 -1.708 -0.677 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.410 0.476 1.499 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.629 -1.115 1.659 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.783 -0.562 2.896 1.00 0.00 H new ATOM 407 N SER A 29 10.915 -2.163 3.656 1.00 0.00 N ATOM 408 CA SER A 29 11.012 -2.155 5.110 1.00 0.00 C ATOM 409 C SER A 29 10.360 -0.903 5.691 1.00 0.00 C ATOM 410 O SER A 29 10.307 0.141 5.041 1.00 0.00 O ATOM 411 CB SER A 29 12.478 -2.227 5.544 1.00 0.00 C ATOM 412 OG SER A 29 13.055 -3.470 5.183 1.00 0.00 O ATOM 0 H SER A 29 11.703 -1.725 3.178 1.00 0.00 H new ATOM 0 HA SER A 29 10.483 -3.029 5.490 1.00 0.00 H new ATOM 0 HB2 SER A 29 13.038 -1.414 5.081 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.549 -2.089 6.623 1.00 0.00 H new ATOM 0 HG SER A 29 13.992 -3.491 5.469 1.00 0.00 H new ATOM 418 N ARG A 30 9.864 -1.018 6.918 1.00 0.00 N ATOM 419 CA ARG A 30 9.214 0.103 7.588 1.00 0.00 C ATOM 420 C ARG A 30 10.000 1.392 7.376 1.00 0.00 C ATOM 421 O ARG A 30 9.420 2.463 7.192 1.00 0.00 O ATOM 422 CB ARG A 30 9.072 -0.182 9.084 1.00 0.00 C ATOM 423 CG ARG A 30 10.303 -0.826 9.700 1.00 0.00 C ATOM 424 CD ARG A 30 10.151 -2.336 9.800 1.00 0.00 C ATOM 425 NE ARG A 30 9.604 -2.747 11.090 1.00 0.00 N ATOM 426 CZ ARG A 30 10.260 -2.627 12.239 1.00 0.00 C ATOM 427 NH1 ARG A 30 11.480 -2.109 12.258 1.00 0.00 N ATOM 428 NH2 ARG A 30 9.695 -3.023 13.372 1.00 0.00 N ATOM 0 H ARG A 30 9.899 -1.876 7.469 1.00 0.00 H new ATOM 0 HA ARG A 30 8.222 0.228 7.154 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.862 0.752 9.605 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.213 -0.835 9.241 1.00 0.00 H new ATOM 0 HG2 ARG A 30 11.180 -0.587 9.098 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.474 -0.410 10.693 1.00 0.00 H new ATOM 0 HD2 ARG A 30 9.499 -2.688 9.001 1.00 0.00 H new ATOM 0 HD3 ARG A 30 11.122 -2.809 9.651 1.00 0.00 H new ATOM 0 HE ARG A 30 8.667 -3.148 11.110 1.00 0.00 H new ATOM 0 HH11 ARG A 30 11.917 -1.801 11.389 1.00 0.00 H new ATOM 0 HH12 ARG A 30 11.982 -2.018 13.141 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.756 -3.420 13.362 1.00 0.00 H new ATOM 0 HH22 ARG A 30 10.200 -2.930 14.253 1.00 0.00 H new ATOM 442 N LEU A 31 11.324 1.284 7.405 1.00 0.00 N ATOM 443 CA LEU A 31 12.191 2.442 7.217 1.00 0.00 C ATOM 444 C LEU A 31 11.957 3.081 5.853 1.00 0.00 C ATOM 445 O LEU A 31 11.819 4.300 5.744 1.00 0.00 O ATOM 446 CB LEU A 31 13.660 2.033 7.356 1.00 0.00 C ATOM 447 CG LEU A 31 13.992 1.117 8.535 1.00 0.00 C ATOM 448 CD1 LEU A 31 13.120 1.453 9.734 1.00 0.00 C ATOM 449 CD2 LEU A 31 13.822 -0.343 8.141 1.00 0.00 C ATOM 0 H LEU A 31 11.821 0.406 7.557 1.00 0.00 H new ATOM 0 HA LEU A 31 11.950 3.174 7.987 1.00 0.00 H new ATOM 0 HB2 LEU A 31 13.966 1.534 6.436 1.00 0.00 H new ATOM 0 HB3 LEU A 31 14.262 2.938 7.444 1.00 0.00 H new ATOM 0 HG LEU A 31 15.034 1.278 8.813 1.00 0.00 H new ATOM 0 HD11 LEU A 31 13.370 0.791 10.563 1.00 0.00 H new ATOM 0 HD12 LEU A 31 13.292 2.488 10.031 1.00 0.00 H new ATOM 0 HD13 LEU A 31 12.071 1.322 9.469 1.00 0.00 H new ATOM 0 HD21 LEU A 31 14.063 -0.980 8.992 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.791 -0.520 7.836 1.00 0.00 H new ATOM 0 HD23 LEU A 31 14.491 -0.577 7.313 1.00 0.00 H new ATOM 461 N GLU A 32 11.912 2.252 4.816 1.00 0.00 N ATOM 462 CA GLU A 32 11.692 2.738 3.458 1.00 0.00 C ATOM 463 C GLU A 32 10.272 3.275 3.296 1.00 0.00 C ATOM 464 O GLU A 32 10.072 4.465 3.055 1.00 0.00 O ATOM 465 CB GLU A 32 11.946 1.620 2.445 1.00 0.00 C ATOM 466 CG GLU A 32 13.398 1.180 2.375 1.00 0.00 C ATOM 467 CD GLU A 32 14.235 2.072 1.478 1.00 0.00 C ATOM 468 OE1 GLU A 32 13.882 3.260 1.328 1.00 0.00 O ATOM 469 OE2 GLU A 32 15.243 1.582 0.926 1.00 0.00 O ATOM 0 H GLU A 32 12.025 1.241 4.889 1.00 0.00 H new ATOM 0 HA GLU A 32 12.393 3.552 3.272 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.327 0.761 2.702 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.629 1.957 1.458 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.823 1.180 3.379 1.00 0.00 H new ATOM 0 HG3 GLU A 32 13.446 0.155 2.008 1.00 0.00 H new ATOM 476 N ALA A 33 9.292 2.388 3.429 1.00 0.00 N ATOM 477 CA ALA A 33 7.892 2.771 3.297 1.00 0.00 C ATOM 478 C ALA A 33 7.658 4.183 3.825 1.00 0.00 C ATOM 479 O ALA A 33 6.812 4.914 3.310 1.00 0.00 O ATOM 480 CB ALA A 33 7.003 1.777 4.031 1.00 0.00 C ATOM 0 H ALA A 33 9.442 1.399 3.628 1.00 0.00 H new ATOM 0 HA ALA A 33 7.635 2.760 2.238 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.960 2.074 3.925 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.142 0.783 3.607 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.270 1.761 5.088 1.00 0.00 H new ATOM 486 N GLN A 34 8.412 4.559 4.852 1.00 0.00 N ATOM 487 CA GLN A 34 8.285 5.882 5.448 1.00 0.00 C ATOM 488 C GLN A 34 8.879 6.950 4.536 1.00 0.00 C ATOM 489 O GLN A 34 8.158 7.784 3.986 1.00 0.00 O ATOM 490 CB GLN A 34 8.975 5.920 6.813 1.00 0.00 C ATOM 491 CG GLN A 34 8.537 7.086 7.685 1.00 0.00 C ATOM 492 CD GLN A 34 9.362 7.210 8.950 1.00 0.00 C ATOM 493 OE1 GLN A 34 10.592 7.255 8.902 1.00 0.00 O ATOM 494 NE2 GLN A 34 8.689 7.266 10.094 1.00 0.00 N ATOM 0 H GLN A 34 9.117 3.966 5.289 1.00 0.00 H new ATOM 0 HA GLN A 34 7.223 6.091 5.580 1.00 0.00 H new ATOM 0 HB2 GLN A 34 8.772 4.987 7.339 1.00 0.00 H new ATOM 0 HB3 GLN A 34 10.053 5.974 6.664 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.614 8.011 7.114 1.00 0.00 H new ATOM 0 HG3 GLN A 34 7.487 6.962 7.951 1.00 0.00 H new ATOM 0 HE21 GLN A 34 7.670 7.225 10.089 1.00 0.00 H new ATOM 0 HE22 GLN A 34 9.191 7.350 10.978 1.00 0.00 H new ATOM 503 N LEU A 35 10.198 6.920 4.379 1.00 0.00 N ATOM 504 CA LEU A 35 10.891 7.886 3.533 1.00 0.00 C ATOM 505 C LEU A 35 10.268 7.936 2.142 1.00 0.00 C ATOM 506 O LEU A 35 10.339 8.956 1.455 1.00 0.00 O ATOM 507 CB LEU A 35 12.375 7.529 3.428 1.00 0.00 C ATOM 508 CG LEU A 35 12.711 6.302 2.579 1.00 0.00 C ATOM 509 CD1 LEU A 35 12.674 6.650 1.100 1.00 0.00 C ATOM 510 CD2 LEU A 35 14.074 5.745 2.965 1.00 0.00 C ATOM 0 H LEU A 35 10.809 6.237 4.827 1.00 0.00 H new ATOM 0 HA LEU A 35 10.792 8.870 3.991 1.00 0.00 H new ATOM 0 HB2 LEU A 35 12.907 8.387 3.017 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.761 7.367 4.434 1.00 0.00 H new ATOM 0 HG LEU A 35 11.960 5.535 2.769 1.00 0.00 H new ATOM 0 HD11 LEU A 35 12.916 5.765 0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.677 7.002 0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 35 13.403 7.434 0.892 1.00 0.00 H new ATOM 0 HD21 LEU A 35 14.297 4.872 2.351 1.00 0.00 H new ATOM 0 HD22 LEU A 35 14.837 6.507 2.804 1.00 0.00 H new ATOM 0 HD23 LEU A 35 14.065 5.457 4.016 1.00 0.00 H new ATOM 522 N LEU A 36 9.656 6.829 1.734 1.00 0.00 N ATOM 523 CA LEU A 36 9.018 6.748 0.424 1.00 0.00 C ATOM 524 C LEU A 36 7.943 7.820 0.274 1.00 0.00 C ATOM 525 O LEU A 36 7.635 8.254 -0.837 1.00 0.00 O ATOM 526 CB LEU A 36 8.403 5.362 0.221 1.00 0.00 C ATOM 527 CG LEU A 36 9.356 4.271 -0.269 1.00 0.00 C ATOM 528 CD1 LEU A 36 8.683 2.908 -0.213 1.00 0.00 C ATOM 529 CD2 LEU A 36 9.833 4.574 -1.682 1.00 0.00 C ATOM 0 H LEU A 36 9.588 5.977 2.290 1.00 0.00 H new ATOM 0 HA LEU A 36 9.781 6.916 -0.336 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.967 5.038 1.166 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.585 5.450 -0.494 1.00 0.00 H new ATOM 0 HG LEU A 36 10.224 4.252 0.390 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.377 2.145 -0.566 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.392 2.688 0.814 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.797 2.913 -0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.510 3.787 -2.014 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.975 4.622 -2.353 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.356 5.531 -1.692 1.00 0.00 H new ATOM 541 N LEU A 37 7.377 8.244 1.398 1.00 0.00 N ATOM 542 CA LEU A 37 6.338 9.268 1.393 1.00 0.00 C ATOM 543 C LEU A 37 6.925 10.639 1.069 1.00 0.00 C ATOM 544 O LEU A 37 6.550 11.267 0.081 1.00 0.00 O ATOM 545 CB LEU A 37 5.630 9.312 2.749 1.00 0.00 C ATOM 546 CG LEU A 37 5.101 7.976 3.272 1.00 0.00 C ATOM 547 CD1 LEU A 37 4.714 8.093 4.738 1.00 0.00 C ATOM 548 CD2 LEU A 37 3.915 7.509 2.441 1.00 0.00 C ATOM 0 H LEU A 37 7.620 7.895 2.325 1.00 0.00 H new ATOM 0 HA LEU A 37 5.614 9.011 0.620 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.323 9.719 3.485 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.794 10.008 2.678 1.00 0.00 H new ATOM 0 HG LEU A 37 5.894 7.234 3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.340 7.133 5.093 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.587 8.381 5.323 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.937 8.849 4.850 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.552 6.557 2.828 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.118 8.250 2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.224 7.385 1.403 1.00 0.00 H new ATOM 560 N GLU A 38 7.850 11.093 1.909 1.00 0.00 N ATOM 561 CA GLU A 38 8.490 12.388 1.710 1.00 0.00 C ATOM 562 C GLU A 38 9.262 12.418 0.393 1.00 0.00 C ATOM 563 O GLU A 38 9.273 13.429 -0.309 1.00 0.00 O ATOM 564 CB GLU A 38 9.435 12.699 2.873 1.00 0.00 C ATOM 565 CG GLU A 38 10.619 11.753 2.967 1.00 0.00 C ATOM 566 CD GLU A 38 11.702 12.264 3.896 1.00 0.00 C ATOM 567 OE1 GLU A 38 11.470 12.288 5.122 1.00 0.00 O ATOM 568 OE2 GLU A 38 12.783 12.638 3.396 1.00 0.00 O ATOM 0 H GLU A 38 8.172 10.584 2.732 1.00 0.00 H new ATOM 0 HA GLU A 38 7.709 13.147 1.671 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.804 13.719 2.767 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.874 12.658 3.807 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.275 10.780 3.317 1.00 0.00 H new ATOM 0 HG3 GLU A 38 11.039 11.603 1.973 1.00 0.00 H new ATOM 575 N ARG A 39 9.905 11.302 0.067 1.00 0.00 N ATOM 576 CA ARG A 39 10.680 11.199 -1.164 1.00 0.00 C ATOM 577 C ARG A 39 9.797 11.442 -2.385 1.00 0.00 C ATOM 578 O ARG A 39 10.096 12.296 -3.219 1.00 0.00 O ATOM 579 CB ARG A 39 11.341 9.823 -1.264 1.00 0.00 C ATOM 580 CG ARG A 39 12.697 9.748 -0.581 1.00 0.00 C ATOM 581 CD ARG A 39 13.550 8.630 -1.160 1.00 0.00 C ATOM 582 NE ARG A 39 14.230 9.039 -2.386 1.00 0.00 N ATOM 583 CZ ARG A 39 15.341 9.767 -2.402 1.00 0.00 C ATOM 584 NH1 ARG A 39 15.893 10.165 -1.264 1.00 0.00 N ATOM 585 NH2 ARG A 39 15.901 10.100 -3.558 1.00 0.00 N ATOM 0 H ARG A 39 9.905 10.457 0.638 1.00 0.00 H new ATOM 0 HA ARG A 39 11.455 11.965 -1.140 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.679 9.078 -0.822 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.458 9.561 -2.316 1.00 0.00 H new ATOM 0 HG2 ARG A 39 13.216 10.700 -0.695 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.559 9.586 0.488 1.00 0.00 H new ATOM 0 HD2 ARG A 39 14.289 8.319 -0.422 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.921 7.764 -1.366 1.00 0.00 H new ATOM 0 HE ARG A 39 13.830 8.750 -3.279 1.00 0.00 H new ATOM 0 HH11 ARG A 39 15.465 9.912 -0.374 1.00 0.00 H new ATOM 0 HH12 ARG A 39 16.746 10.724 -1.279 1.00 0.00 H new ATOM 0 HH21 ARG A 39 15.478 9.797 -4.435 1.00 0.00 H new ATOM 0 HH22 ARG A 39 16.754 10.659 -3.569 1.00 0.00 H new ATOM 599 N TYR A 40 8.711 10.683 -2.482 1.00 0.00 N ATOM 600 CA TYR A 40 7.786 10.812 -3.602 1.00 0.00 C ATOM 601 C TYR A 40 6.408 11.258 -3.121 1.00 0.00 C ATOM 602 O TYR A 40 5.490 10.454 -2.956 1.00 0.00 O ATOM 603 CB TYR A 40 7.673 9.485 -4.352 1.00 0.00 C ATOM 604 CG TYR A 40 9.008 8.904 -4.761 1.00 0.00 C ATOM 605 CD1 TYR A 40 9.825 8.273 -3.832 1.00 0.00 C ATOM 606 CD2 TYR A 40 9.451 8.987 -6.075 1.00 0.00 C ATOM 607 CE1 TYR A 40 11.047 7.741 -4.201 1.00 0.00 C ATOM 608 CE2 TYR A 40 10.670 8.457 -6.453 1.00 0.00 C ATOM 609 CZ TYR A 40 11.463 7.835 -5.512 1.00 0.00 C ATOM 610 OH TYR A 40 12.679 7.307 -5.884 1.00 0.00 O ATOM 0 H TYR A 40 8.450 9.972 -1.799 1.00 0.00 H new ATOM 0 HA TYR A 40 8.177 11.571 -4.279 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.151 8.765 -3.722 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.062 9.632 -5.243 1.00 0.00 H new ATOM 0 HD1 TYR A 40 9.501 8.197 -2.805 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.832 9.474 -6.814 1.00 0.00 H new ATOM 0 HE1 TYR A 40 11.672 7.255 -3.466 1.00 0.00 H new ATOM 0 HE2 TYR A 40 10.999 8.530 -7.479 1.00 0.00 H new ATOM 0 HH TYR A 40 12.821 7.456 -6.842 1.00 0.00 H new ATOM 620 N PRO A 41 6.259 12.571 -2.892 1.00 0.00 N ATOM 621 CA PRO A 41 4.997 13.155 -2.429 1.00 0.00 C ATOM 622 C PRO A 41 3.914 13.120 -3.502 1.00 0.00 C ATOM 623 O PRO A 41 2.737 12.918 -3.202 1.00 0.00 O ATOM 624 CB PRO A 41 5.375 14.601 -2.098 1.00 0.00 C ATOM 625 CG PRO A 41 6.562 14.886 -2.952 1.00 0.00 C ATOM 626 CD PRO A 41 7.311 13.587 -3.068 1.00 0.00 C ATOM 0 HA PRO A 41 4.579 12.606 -1.585 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.555 15.285 -2.318 1.00 0.00 H new ATOM 0 HB3 PRO A 41 5.611 14.716 -1.040 1.00 0.00 H new ATOM 0 HG2 PRO A 41 6.258 15.250 -3.933 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.188 15.659 -2.505 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.804 13.492 -4.036 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.085 13.500 -2.306 1.00 0.00 H new ATOM 634 N GLU A 42 4.319 13.315 -4.753 1.00 0.00 N ATOM 635 CA GLU A 42 3.381 13.305 -5.869 1.00 0.00 C ATOM 636 C GLU A 42 2.809 11.907 -6.087 1.00 0.00 C ATOM 637 O GLU A 42 1.592 11.719 -6.113 1.00 0.00 O ATOM 638 CB GLU A 42 4.069 13.791 -7.146 1.00 0.00 C ATOM 639 CG GLU A 42 4.647 15.192 -7.031 1.00 0.00 C ATOM 640 CD GLU A 42 3.682 16.170 -6.387 1.00 0.00 C ATOM 641 OE1 GLU A 42 2.664 16.505 -7.027 1.00 0.00 O ATOM 642 OE2 GLU A 42 3.945 16.598 -5.244 1.00 0.00 O ATOM 0 H GLU A 42 5.290 13.482 -5.019 1.00 0.00 H new ATOM 0 HA GLU A 42 2.561 13.981 -5.627 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.869 13.097 -7.404 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.351 13.769 -7.966 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.566 15.155 -6.446 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.916 15.553 -8.024 1.00 0.00 H new ATOM 649 N CYS A 43 3.696 10.930 -6.245 1.00 0.00 N ATOM 650 CA CYS A 43 3.280 9.549 -6.463 1.00 0.00 C ATOM 651 C CYS A 43 2.073 9.201 -5.597 1.00 0.00 C ATOM 652 O CYS A 43 1.105 8.608 -6.074 1.00 0.00 O ATOM 653 CB CYS A 43 4.434 8.594 -6.156 1.00 0.00 C ATOM 654 SG CYS A 43 5.564 8.331 -7.543 1.00 0.00 S ATOM 0 H CYS A 43 4.706 11.069 -6.226 1.00 0.00 H new ATOM 0 HA CYS A 43 2.996 9.442 -7.510 1.00 0.00 H new ATOM 0 HB2 CYS A 43 4.999 8.985 -5.310 1.00 0.00 H new ATOM 0 HB3 CYS A 43 4.023 7.632 -5.848 1.00 0.00 H new ATOM 0 HG CYS A 43 6.507 7.511 -7.185 1.00 0.00 H new ATOM 660 N GLY A 44 2.137 9.574 -4.323 1.00 0.00 N ATOM 661 CA GLY A 44 1.043 9.292 -3.411 1.00 0.00 C ATOM 662 C GLY A 44 1.497 9.217 -1.968 1.00 0.00 C ATOM 663 O GLY A 44 2.665 9.462 -1.663 1.00 0.00 O ATOM 0 H GLY A 44 2.927 10.066 -3.906 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.283 10.067 -3.510 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.575 8.348 -3.691 1.00 0.00 H new ATOM 667 N ASN A 45 0.573 8.879 -1.075 1.00 0.00 N ATOM 668 CA ASN A 45 0.884 8.775 0.347 1.00 0.00 C ATOM 669 C ASN A 45 0.337 7.475 0.929 1.00 0.00 C ATOM 670 O ASN A 45 0.925 6.897 1.844 1.00 0.00 O ATOM 671 CB ASN A 45 0.305 9.971 1.106 1.00 0.00 C ATOM 672 CG ASN A 45 -1.205 9.901 1.229 1.00 0.00 C ATOM 673 OD1 ASN A 45 -1.686 9.551 2.416 1.00 0.00 O flip ATOM 674 ND2 ASN A 45 -1.930 10.158 0.268 1.00 0.00 N flip ATOM 0 H ASN A 45 -0.398 8.672 -1.310 1.00 0.00 H new ATOM 0 HA ASN A 45 1.968 8.774 0.458 1.00 0.00 H new ATOM 0 HB2 ASN A 45 0.746 10.014 2.102 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.583 10.892 0.594 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.517 10.423 -0.626 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.944 10.106 0.366 1.00 0.00 H new ATOM 681 N LEU A 46 -0.790 7.022 0.393 1.00 0.00 N ATOM 682 CA LEU A 46 -1.417 5.790 0.859 1.00 0.00 C ATOM 683 C LEU A 46 -0.710 4.567 0.283 1.00 0.00 C ATOM 684 O LEU A 46 -1.060 4.085 -0.796 1.00 0.00 O ATOM 685 CB LEU A 46 -2.896 5.767 0.470 1.00 0.00 C ATOM 686 CG LEU A 46 -3.602 4.417 0.592 1.00 0.00 C ATOM 687 CD1 LEU A 46 -3.994 4.148 2.037 1.00 0.00 C ATOM 688 CD2 LEU A 46 -4.826 4.371 -0.311 1.00 0.00 C ATOM 0 H LEU A 46 -1.289 7.489 -0.365 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.333 5.758 1.945 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.426 6.489 1.092 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.985 6.109 -0.561 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.910 3.637 0.273 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.495 3.183 2.104 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.100 4.137 2.660 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.668 4.932 2.383 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.316 3.402 -0.211 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.520 5.160 -0.023 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.520 4.517 -1.347 1.00 0.00 H new ATOM 700 N LEU A 47 0.285 4.069 1.008 1.00 0.00 N ATOM 701 CA LEU A 47 1.041 2.901 0.569 1.00 0.00 C ATOM 702 C LEU A 47 0.772 1.706 1.478 1.00 0.00 C ATOM 703 O LEU A 47 0.357 1.867 2.627 1.00 0.00 O ATOM 704 CB LEU A 47 2.538 3.214 0.552 1.00 0.00 C ATOM 705 CG LEU A 47 3.300 2.928 1.846 1.00 0.00 C ATOM 706 CD1 LEU A 47 3.839 1.506 1.844 1.00 0.00 C ATOM 707 CD2 LEU A 47 4.431 3.928 2.032 1.00 0.00 C ATOM 0 H LEU A 47 0.587 4.455 1.902 1.00 0.00 H new ATOM 0 HA LEU A 47 0.717 2.648 -0.441 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.999 2.640 -0.252 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.665 4.268 0.305 1.00 0.00 H new ATOM 0 HG LEU A 47 2.609 3.032 2.682 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.379 1.320 2.773 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.010 0.803 1.759 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.515 1.374 0.999 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.962 3.709 2.958 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.122 3.856 1.192 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.021 4.937 2.079 1.00 0.00 H new ATOM 719 N LEU A 48 1.012 0.507 0.958 1.00 0.00 N ATOM 720 CA LEU A 48 0.796 -0.716 1.723 1.00 0.00 C ATOM 721 C LEU A 48 2.067 -1.559 1.769 1.00 0.00 C ATOM 722 O LEU A 48 2.540 -2.042 0.741 1.00 0.00 O ATOM 723 CB LEU A 48 -0.347 -1.529 1.111 1.00 0.00 C ATOM 724 CG LEU A 48 -1.760 -1.101 1.508 1.00 0.00 C ATOM 725 CD1 LEU A 48 -2.235 0.049 0.634 1.00 0.00 C ATOM 726 CD2 LEU A 48 -2.720 -2.279 1.411 1.00 0.00 C ATOM 0 H LEU A 48 1.356 0.356 0.010 1.00 0.00 H new ATOM 0 HA LEU A 48 0.529 -0.436 2.742 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.264 -1.476 0.025 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.213 -2.574 1.390 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.739 -0.759 2.543 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.243 0.340 0.931 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.562 0.898 0.753 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.241 -0.266 -0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.721 -1.957 1.697 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.737 -2.651 0.387 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.390 -3.074 2.080 1.00 0.00 H new ATOM 738 N ARG A 49 2.612 -1.732 2.969 1.00 0.00 N ATOM 739 CA ARG A 49 3.827 -2.518 3.150 1.00 0.00 C ATOM 740 C ARG A 49 3.618 -3.610 4.195 1.00 0.00 C ATOM 741 O ARG A 49 2.964 -3.406 5.218 1.00 0.00 O ATOM 742 CB ARG A 49 4.988 -1.614 3.567 1.00 0.00 C ATOM 743 CG ARG A 49 4.769 -0.917 4.900 1.00 0.00 C ATOM 744 CD ARG A 49 5.297 -1.751 6.057 1.00 0.00 C ATOM 745 NE ARG A 49 4.669 -1.388 7.324 1.00 0.00 N ATOM 746 CZ ARG A 49 4.961 -0.280 7.999 1.00 0.00 C ATOM 747 NH1 ARG A 49 5.864 0.568 7.527 1.00 0.00 N ATOM 748 NH2 ARG A 49 4.346 -0.020 9.145 1.00 0.00 N ATOM 0 H ARG A 49 2.232 -1.339 3.830 1.00 0.00 H new ATOM 0 HA ARG A 49 4.068 -2.991 2.198 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.899 -2.210 3.624 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.147 -0.861 2.795 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.267 0.052 4.891 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.705 -0.727 5.042 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.119 -2.807 5.854 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.376 -1.619 6.136 1.00 0.00 H new ATOM 0 HE ARG A 49 3.968 -2.019 7.713 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.336 0.371 6.645 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.087 1.417 8.046 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.649 -0.670 9.509 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.570 0.830 9.663 1.00 0.00 H new ATOM 762 N PRO A 50 4.186 -4.797 3.933 1.00 0.00 N ATOM 763 CA PRO A 50 4.076 -5.944 4.839 1.00 0.00 C ATOM 764 C PRO A 50 4.863 -5.741 6.130 1.00 0.00 C ATOM 765 O PRO A 50 6.022 -5.329 6.102 1.00 0.00 O ATOM 766 CB PRO A 50 4.670 -7.097 4.026 1.00 0.00 C ATOM 767 CG PRO A 50 5.596 -6.441 3.062 1.00 0.00 C ATOM 768 CD PRO A 50 4.979 -5.109 2.733 1.00 0.00 C ATOM 0 HA PRO A 50 3.048 -6.115 5.157 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.200 -7.802 4.667 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.892 -7.659 3.509 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.587 -6.315 3.498 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.717 -7.047 2.164 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.738 -4.350 2.544 1.00 0.00 H new ATOM 0 HD3 PRO A 50 4.354 -5.164 1.841 1.00 0.00 H new ATOM 776 N SER A 51 4.225 -6.033 7.259 1.00 0.00 N ATOM 777 CA SER A 51 4.865 -5.880 8.560 1.00 0.00 C ATOM 778 C SER A 51 5.996 -6.890 8.732 1.00 0.00 C ATOM 779 O SER A 51 5.762 -8.097 8.784 1.00 0.00 O ATOM 780 CB SER A 51 3.838 -6.051 9.680 1.00 0.00 C ATOM 781 OG SER A 51 4.417 -5.789 10.947 1.00 0.00 O ATOM 0 H SER A 51 3.266 -6.377 7.299 1.00 0.00 H new ATOM 0 HA SER A 51 5.287 -4.876 8.614 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.998 -5.376 9.514 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.440 -7.066 9.661 1.00 0.00 H new ATOM 0 HG SER A 51 3.740 -5.903 11.646 1.00 0.00 H new ATOM 787 N GLY A 52 7.223 -6.387 8.819 1.00 0.00 N ATOM 788 CA GLY A 52 8.372 -7.257 8.984 1.00 0.00 C ATOM 789 C GLY A 52 8.688 -8.045 7.728 1.00 0.00 C ATOM 790 O GLY A 52 8.291 -7.658 6.629 1.00 0.00 O ATOM 0 H GLY A 52 7.442 -5.392 8.778 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.240 -6.659 9.262 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.185 -7.948 9.806 1.00 0.00 H new ATOM 794 N ASP A 53 9.405 -9.152 7.890 1.00 0.00 N ATOM 795 CA ASP A 53 9.774 -9.996 6.759 1.00 0.00 C ATOM 796 C ASP A 53 9.031 -11.327 6.809 1.00 0.00 C ATOM 797 O ASP A 53 9.570 -12.333 7.267 1.00 0.00 O ATOM 798 CB ASP A 53 11.284 -10.240 6.750 1.00 0.00 C ATOM 799 CG ASP A 53 12.078 -8.952 6.645 1.00 0.00 C ATOM 800 OD1 ASP A 53 11.759 -7.996 7.381 1.00 0.00 O ATOM 801 OD2 ASP A 53 13.020 -8.903 5.827 1.00 0.00 O ATOM 0 H ASP A 53 9.742 -9.486 8.793 1.00 0.00 H new ATOM 0 HA ASP A 53 9.492 -9.478 5.843 1.00 0.00 H new ATOM 0 HB2 ASP A 53 11.570 -10.766 7.661 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.539 -10.890 5.913 1.00 0.00 H new ATOM 806 N GLY A 54 7.789 -11.323 6.336 1.00 0.00 N ATOM 807 CA GLY A 54 6.991 -12.536 6.337 1.00 0.00 C ATOM 808 C GLY A 54 6.070 -12.622 7.537 1.00 0.00 C ATOM 809 O GLY A 54 6.435 -13.186 8.569 1.00 0.00 O ATOM 0 H GLY A 54 7.321 -10.502 5.952 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.398 -12.578 5.424 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.652 -13.402 6.327 1.00 0.00 H new ATOM 813 N ALA A 55 4.872 -12.061 7.404 1.00 0.00 N ATOM 814 CA ALA A 55 3.896 -12.078 8.486 1.00 0.00 C ATOM 815 C ALA A 55 2.481 -12.252 7.947 1.00 0.00 C ATOM 816 O ALA A 55 2.216 -11.984 6.775 1.00 0.00 O ATOM 817 CB ALA A 55 3.997 -10.802 9.309 1.00 0.00 C ATOM 0 H ALA A 55 4.555 -11.589 6.557 1.00 0.00 H new ATOM 0 HA ALA A 55 4.119 -12.930 9.129 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.262 -10.829 10.113 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.997 -10.721 9.734 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.804 -9.940 8.670 1.00 0.00 H new ATOM 823 N ASP A 56 1.576 -12.704 8.808 1.00 0.00 N ATOM 824 CA ASP A 56 0.186 -12.913 8.417 1.00 0.00 C ATOM 825 C ASP A 56 -0.574 -11.591 8.381 1.00 0.00 C ATOM 826 O ASP A 56 -1.206 -11.199 9.361 1.00 0.00 O ATOM 827 CB ASP A 56 -0.497 -13.882 9.383 1.00 0.00 C ATOM 828 CG ASP A 56 -0.310 -15.331 8.980 1.00 0.00 C ATOM 829 OD1 ASP A 56 -0.478 -15.639 7.782 1.00 0.00 O ATOM 830 OD2 ASP A 56 0.004 -16.157 9.863 1.00 0.00 O ATOM 0 H ASP A 56 1.779 -12.933 9.781 1.00 0.00 H new ATOM 0 HA ASP A 56 0.177 -13.343 7.416 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.097 -13.733 10.386 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.562 -13.655 9.428 1.00 0.00 H new ATOM 835 N GLY A 57 -0.505 -10.905 7.243 1.00 0.00 N ATOM 836 CA GLY A 57 -1.190 -9.634 7.101 1.00 0.00 C ATOM 837 C GLY A 57 -0.274 -8.535 6.600 1.00 0.00 C ATOM 838 O GLY A 57 0.928 -8.746 6.436 1.00 0.00 O ATOM 0 H GLY A 57 0.013 -11.207 6.418 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.025 -9.750 6.410 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.611 -9.342 8.063 1.00 0.00 H new ATOM 842 N VAL A 58 -0.842 -7.359 6.353 1.00 0.00 N ATOM 843 CA VAL A 58 -0.069 -6.222 5.868 1.00 0.00 C ATOM 844 C VAL A 58 -0.460 -4.941 6.593 1.00 0.00 C ATOM 845 O VAL A 58 -1.552 -4.840 7.153 1.00 0.00 O ATOM 846 CB VAL A 58 -0.260 -6.021 4.352 1.00 0.00 C ATOM 847 CG1 VAL A 58 -1.727 -5.783 4.027 1.00 0.00 C ATOM 848 CG2 VAL A 58 0.598 -4.867 3.857 1.00 0.00 C ATOM 0 H VAL A 58 -1.836 -7.169 6.481 1.00 0.00 H new ATOM 0 HA VAL A 58 0.979 -6.443 6.069 1.00 0.00 H new ATOM 0 HB VAL A 58 0.059 -6.928 3.838 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.844 -5.643 2.952 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.315 -6.643 4.347 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.075 -4.892 4.549 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.451 -4.738 2.785 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.311 -3.952 4.375 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.648 -5.082 4.056 1.00 0.00 H new ATOM 858 N SER A 59 0.440 -3.963 6.581 1.00 0.00 N ATOM 859 CA SER A 59 0.191 -2.687 7.242 1.00 0.00 C ATOM 860 C SER A 59 0.029 -1.568 6.218 1.00 0.00 C ATOM 861 O SER A 59 0.505 -1.670 5.087 1.00 0.00 O ATOM 862 CB SER A 59 1.334 -2.353 8.201 1.00 0.00 C ATOM 863 OG SER A 59 1.081 -2.872 9.496 1.00 0.00 O ATOM 0 H SER A 59 1.348 -4.030 6.121 1.00 0.00 H new ATOM 0 HA SER A 59 -0.736 -2.775 7.809 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.267 -2.764 7.817 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.462 -1.272 8.257 1.00 0.00 H new ATOM 0 HG SER A 59 1.827 -2.647 10.090 1.00 0.00 H new ATOM 869 N VAL A 60 -0.649 -0.497 6.622 1.00 0.00 N ATOM 870 CA VAL A 60 -0.874 0.643 5.742 1.00 0.00 C ATOM 871 C VAL A 60 -0.193 1.896 6.281 1.00 0.00 C ATOM 872 O VAL A 60 -0.467 2.334 7.399 1.00 0.00 O ATOM 873 CB VAL A 60 -2.377 0.925 5.563 1.00 0.00 C ATOM 874 CG1 VAL A 60 -2.598 1.986 4.495 1.00 0.00 C ATOM 875 CG2 VAL A 60 -3.122 -0.356 5.216 1.00 0.00 C ATOM 0 H VAL A 60 -1.052 -0.396 7.554 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.442 0.387 4.774 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.772 1.304 6.505 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.666 2.172 4.382 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.098 2.909 4.790 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.188 1.638 3.547 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.183 -0.138 5.093 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.726 -0.767 4.287 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.991 -1.082 6.019 1.00 0.00 H new ATOM 885 N THR A 61 0.696 2.472 5.477 1.00 0.00 N ATOM 886 CA THR A 61 1.417 3.676 5.873 1.00 0.00 C ATOM 887 C THR A 61 0.834 4.912 5.198 1.00 0.00 C ATOM 888 O THR A 61 1.035 5.134 4.004 1.00 0.00 O ATOM 889 CB THR A 61 2.915 3.573 5.527 1.00 0.00 C ATOM 890 OG1 THR A 61 3.383 2.242 5.769 1.00 0.00 O ATOM 891 CG2 THR A 61 3.728 4.560 6.349 1.00 0.00 C ATOM 0 H THR A 61 0.934 2.124 4.548 1.00 0.00 H new ATOM 0 HA THR A 61 1.307 3.770 6.953 1.00 0.00 H new ATOM 0 HB THR A 61 3.040 3.814 4.471 1.00 0.00 H new ATOM 0 HG1 THR A 61 4.335 2.184 5.545 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.782 4.469 6.088 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.388 5.574 6.140 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.597 4.345 7.410 1.00 0.00 H new ATOM 899 N THR A 62 0.112 5.718 5.971 1.00 0.00 N ATOM 900 CA THR A 62 -0.501 6.933 5.448 1.00 0.00 C ATOM 901 C THR A 62 -0.022 8.162 6.211 1.00 0.00 C ATOM 902 O THR A 62 0.114 8.132 7.434 1.00 0.00 O ATOM 903 CB THR A 62 -2.038 6.864 5.521 1.00 0.00 C ATOM 904 OG1 THR A 62 -2.462 6.839 6.888 1.00 0.00 O ATOM 905 CG2 THR A 62 -2.559 5.629 4.801 1.00 0.00 C ATOM 0 H THR A 62 -0.062 5.551 6.962 1.00 0.00 H new ATOM 0 HA THR A 62 -0.198 7.015 4.404 1.00 0.00 H new ATOM 0 HB THR A 62 -2.443 7.749 5.031 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.658 5.916 7.153 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.647 5.602 4.866 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.259 5.665 3.754 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.145 4.735 5.267 1.00 0.00 H new ATOM 913 N ARG A 63 0.233 9.243 5.480 1.00 0.00 N ATOM 914 CA ARG A 63 0.697 10.484 6.089 1.00 0.00 C ATOM 915 C ARG A 63 -0.109 11.675 5.580 1.00 0.00 C ATOM 916 O ARG A 63 0.225 12.268 4.555 1.00 0.00 O ATOM 917 CB ARG A 63 2.183 10.696 5.794 1.00 0.00 C ATOM 918 CG ARG A 63 2.738 11.992 6.363 1.00 0.00 C ATOM 919 CD ARG A 63 4.107 12.315 5.782 1.00 0.00 C ATOM 920 NE ARG A 63 4.023 12.725 4.384 1.00 0.00 N ATOM 921 CZ ARG A 63 3.640 13.935 3.994 1.00 0.00 C ATOM 922 NH1 ARG A 63 3.306 14.849 4.893 1.00 0.00 N ATOM 923 NH2 ARG A 63 3.590 14.234 2.702 1.00 0.00 N ATOM 0 H ARG A 63 0.126 9.284 4.466 1.00 0.00 H new ATOM 0 HA ARG A 63 0.554 10.406 7.167 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.749 9.858 6.202 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.335 10.688 4.715 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.049 12.809 6.149 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.811 11.912 7.448 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.571 13.110 6.366 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.752 11.440 5.865 1.00 0.00 H new ATOM 0 HE ARG A 63 4.272 12.044 3.667 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.343 14.624 5.887 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.012 15.778 4.591 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.846 13.534 2.006 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.295 15.164 2.405 1.00 0.00 H new ATOM 937 N GLN A 64 -1.170 12.017 6.303 1.00 0.00 N ATOM 938 CA GLN A 64 -2.024 13.137 5.923 1.00 0.00 C ATOM 939 C GLN A 64 -1.543 14.432 6.567 1.00 0.00 C ATOM 940 O GLN A 64 -0.898 14.413 7.615 1.00 0.00 O ATOM 941 CB GLN A 64 -3.473 12.860 6.327 1.00 0.00 C ATOM 942 CG GLN A 64 -4.057 11.613 5.681 1.00 0.00 C ATOM 943 CD GLN A 64 -3.801 10.360 6.495 1.00 0.00 C ATOM 944 OE1 GLN A 64 -3.066 10.387 7.482 1.00 0.00 O ATOM 945 NE2 GLN A 64 -4.407 9.253 6.082 1.00 0.00 N ATOM 0 H GLN A 64 -1.459 11.536 7.154 1.00 0.00 H new ATOM 0 HA GLN A 64 -1.971 13.250 4.840 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -3.526 12.756 7.411 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.087 13.720 6.059 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -5.131 11.745 5.552 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.629 11.489 4.686 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -5.008 9.278 5.258 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.272 8.378 6.589 1.00 0.00 H new ATOM 954 N MET A 65 -1.860 15.557 5.933 1.00 0.00 N ATOM 955 CA MET A 65 -1.460 16.861 6.445 1.00 0.00 C ATOM 956 C MET A 65 -2.392 17.315 7.564 1.00 0.00 C ATOM 957 O MET A 65 -3.601 17.438 7.366 1.00 0.00 O ATOM 958 CB MET A 65 -1.455 17.896 5.318 1.00 0.00 C ATOM 959 CG MET A 65 -0.800 19.212 5.705 1.00 0.00 C ATOM 960 SD MET A 65 0.979 19.217 5.408 1.00 0.00 S ATOM 961 CE MET A 65 1.602 19.174 7.087 1.00 0.00 C ATOM 0 H MET A 65 -2.393 15.591 5.064 1.00 0.00 H new ATOM 0 HA MET A 65 -0.452 16.771 6.850 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.934 17.480 4.456 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.482 18.088 5.008 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.261 20.023 5.140 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.989 19.411 6.760 1.00 0.00 H new ATOM 0 HE1 MET A 65 2.545 18.627 7.111 1.00 0.00 H new ATOM 0 HE2 MET A 65 1.763 20.192 7.441 1.00 0.00 H new ATOM 0 HE3 MET A 65 0.877 18.676 7.731 1.00 0.00 H new ATOM 971 N HIS A 66 -1.823 17.563 8.740 1.00 0.00 N ATOM 972 CA HIS A 66 -2.604 18.004 9.890 1.00 0.00 C ATOM 973 C HIS A 66 -1.778 18.921 10.787 1.00 0.00 C ATOM 974 O HIS A 66 -0.575 18.724 10.955 1.00 0.00 O ATOM 975 CB HIS A 66 -3.096 16.798 10.691 1.00 0.00 C ATOM 976 CG HIS A 66 -3.551 17.143 12.075 1.00 0.00 C ATOM 977 ND1 HIS A 66 -4.723 17.822 12.336 1.00 0.00 N ATOM 978 CD2 HIS A 66 -2.984 16.899 13.280 1.00 0.00 C ATOM 979 CE1 HIS A 66 -4.856 17.981 13.640 1.00 0.00 C ATOM 980 NE2 HIS A 66 -3.815 17.429 14.236 1.00 0.00 N ATOM 0 H HIS A 66 -0.824 17.466 8.921 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.465 18.562 9.522 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -3.919 16.327 10.154 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -2.294 16.062 10.754 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -2.052 16.383 13.456 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -5.677 18.478 14.135 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -3.654 17.401 15.243 1.00 0.00 H new ATOM 989 N ASN A 67 -2.433 19.926 11.361 1.00 0.00 N ATOM 990 CA ASN A 67 -1.761 20.875 12.239 1.00 0.00 C ATOM 991 C ASN A 67 -0.427 21.317 11.644 1.00 0.00 C ATOM 992 O ASN A 67 0.571 21.440 12.353 1.00 0.00 O ATOM 993 CB ASN A 67 -1.535 20.253 13.619 1.00 0.00 C ATOM 994 CG ASN A 67 -2.760 20.354 14.507 1.00 0.00 C ATOM 995 OD1 ASN A 67 -3.820 20.806 14.071 1.00 0.00 O ATOM 996 ND2 ASN A 67 -2.620 19.934 15.759 1.00 0.00 N ATOM 0 H ASN A 67 -3.429 20.103 11.233 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.401 21.751 12.343 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.261 19.205 13.501 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.695 20.750 14.105 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.410 19.978 16.403 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -1.723 19.567 16.076 1.00 0.00 H new ATOM 1003 N GLY A 68 -0.419 21.552 10.336 1.00 0.00 N ATOM 1004 CA GLY A 68 0.798 21.978 9.666 1.00 0.00 C ATOM 1005 C GLY A 68 2.013 21.192 10.116 1.00 0.00 C ATOM 1006 O GLY A 68 3.101 21.748 10.268 1.00 0.00 O ATOM 0 H GLY A 68 -1.232 21.455 9.728 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.675 21.865 8.589 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.963 23.038 9.859 1.00 0.00 H new ATOM 1010 N THR A 69 1.828 19.893 10.335 1.00 0.00 N ATOM 1011 CA THR A 69 2.917 19.030 10.774 1.00 0.00 C ATOM 1012 C THR A 69 2.864 17.678 10.072 1.00 0.00 C ATOM 1013 O THR A 69 1.806 17.246 9.613 1.00 0.00 O ATOM 1014 CB THR A 69 2.877 18.806 12.297 1.00 0.00 C ATOM 1015 OG1 THR A 69 3.912 17.896 12.686 1.00 0.00 O ATOM 1016 CG2 THR A 69 1.525 18.259 12.729 1.00 0.00 C ATOM 0 H THR A 69 0.934 19.416 10.215 1.00 0.00 H new ATOM 0 HA THR A 69 3.846 19.536 10.513 1.00 0.00 H new ATOM 0 HB THR A 69 3.035 19.767 12.787 1.00 0.00 H new ATOM 0 HG1 THR A 69 3.881 17.760 13.656 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.521 18.109 13.809 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.742 18.968 12.458 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.341 17.308 12.230 1.00 0.00 H new ATOM 1024 N HIS A 70 4.013 17.012 9.992 1.00 0.00 N ATOM 1025 CA HIS A 70 4.096 15.707 9.345 1.00 0.00 C ATOM 1026 C HIS A 70 3.893 14.586 10.359 1.00 0.00 C ATOM 1027 O HIS A 70 4.772 14.302 11.173 1.00 0.00 O ATOM 1028 CB HIS A 70 5.449 15.544 8.652 1.00 0.00 C ATOM 1029 CG HIS A 70 6.614 15.916 9.516 1.00 0.00 C ATOM 1030 ND1 HIS A 70 7.257 15.018 10.341 1.00 0.00 N ATOM 1031 CD2 HIS A 70 7.254 17.099 9.677 1.00 0.00 C ATOM 1032 CE1 HIS A 70 8.240 15.631 10.975 1.00 0.00 C ATOM 1033 NE2 HIS A 70 8.260 16.895 10.590 1.00 0.00 N ATOM 0 H HIS A 70 4.898 17.354 10.367 1.00 0.00 H new ATOM 0 HA HIS A 70 3.304 15.647 8.599 1.00 0.00 H new ATOM 0 HB2 HIS A 70 5.561 14.508 8.332 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.463 16.159 7.752 1.00 0.00 H new ATOM 0 HD1 HIS A 70 7.012 14.033 10.445 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.018 18.029 9.181 1.00 0.00 H new ATOM 0 HE1 HIS A 70 8.913 15.177 11.687 1.00 0.00 H new ATOM 1042 N VAL A 71 2.726 13.950 10.305 1.00 0.00 N ATOM 1043 CA VAL A 71 2.407 12.859 11.218 1.00 0.00 C ATOM 1044 C VAL A 71 2.332 11.528 10.479 1.00 0.00 C ATOM 1045 O VAL A 71 1.713 11.428 9.419 1.00 0.00 O ATOM 1046 CB VAL A 71 1.072 13.107 11.945 1.00 0.00 C ATOM 1047 CG1 VAL A 71 -0.049 13.328 10.940 1.00 0.00 C ATOM 1048 CG2 VAL A 71 0.746 11.946 12.872 1.00 0.00 C ATOM 0 H VAL A 71 1.986 14.172 9.639 1.00 0.00 H new ATOM 0 HA VAL A 71 3.210 12.817 11.954 1.00 0.00 H new ATOM 0 HB VAL A 71 1.169 14.008 12.550 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.985 13.502 11.471 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.183 14.195 10.321 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.149 12.446 10.307 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.200 12.138 13.377 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.667 11.027 12.291 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.538 11.839 13.613 1.00 0.00 H new ATOM 1058 N VAL A 72 2.964 10.505 11.045 1.00 0.00 N ATOM 1059 CA VAL A 72 2.968 9.178 10.441 1.00 0.00 C ATOM 1060 C VAL A 72 2.154 8.194 11.273 1.00 0.00 C ATOM 1061 O VAL A 72 2.468 7.940 12.436 1.00 0.00 O ATOM 1062 CB VAL A 72 4.401 8.637 10.283 1.00 0.00 C ATOM 1063 CG1 VAL A 72 4.385 7.270 9.617 1.00 0.00 C ATOM 1064 CG2 VAL A 72 5.255 9.615 9.490 1.00 0.00 C ATOM 0 H VAL A 72 3.481 10.570 11.922 1.00 0.00 H new ATOM 0 HA VAL A 72 2.515 9.278 9.455 1.00 0.00 H new ATOM 0 HB VAL A 72 4.841 8.527 11.274 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.406 6.904 9.514 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.810 6.574 10.228 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.927 7.351 8.631 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.264 9.217 9.388 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.820 9.759 8.501 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.293 10.571 10.012 1.00 0.00 H new ATOM 1074 N ARG A 73 1.108 7.641 10.668 1.00 0.00 N ATOM 1075 CA ARG A 73 0.247 6.684 11.353 1.00 0.00 C ATOM 1076 C ARG A 73 0.422 5.283 10.774 1.00 0.00 C ATOM 1077 O ARG A 73 0.898 5.120 9.649 1.00 0.00 O ATOM 1078 CB ARG A 73 -1.217 7.113 11.244 1.00 0.00 C ATOM 1079 CG ARG A 73 -1.657 8.065 12.343 1.00 0.00 C ATOM 1080 CD ARG A 73 -2.978 8.737 12.005 1.00 0.00 C ATOM 1081 NE ARG A 73 -3.375 9.708 13.020 1.00 0.00 N ATOM 1082 CZ ARG A 73 -4.362 10.581 12.855 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -5.050 10.604 11.722 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -4.664 11.434 13.826 1.00 0.00 N ATOM 0 H ARG A 73 0.836 7.839 9.705 1.00 0.00 H new ATOM 0 HA ARG A 73 0.535 6.663 12.404 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -1.376 7.590 10.277 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.849 6.226 11.269 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.756 7.518 13.281 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -0.890 8.825 12.496 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.894 9.236 11.040 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.755 7.979 11.905 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.867 9.716 13.904 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.822 9.950 10.973 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.807 11.276 11.599 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.138 11.419 14.700 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.422 12.104 13.698 1.00 0.00 H new ATOM 1098 N HIS A 74 0.036 4.275 11.549 1.00 0.00 N ATOM 1099 CA HIS A 74 0.151 2.888 11.112 1.00 0.00 C ATOM 1100 C HIS A 74 -1.163 2.141 11.327 1.00 0.00 C ATOM 1101 O HIS A 74 -1.837 2.327 12.340 1.00 0.00 O ATOM 1102 CB HIS A 74 1.279 2.185 11.867 1.00 0.00 C ATOM 1103 CG HIS A 74 1.074 2.144 13.350 1.00 0.00 C ATOM 1104 ND1 HIS A 74 0.907 3.143 14.248 1.00 0.00 N flip ATOM 1105 CD2 HIS A 74 1.026 0.970 14.071 1.00 0.00 C flip ATOM 1106 CE1 HIS A 74 0.760 2.559 15.483 1.00 0.00 C flip ATOM 1107 NE2 HIS A 74 0.836 1.248 15.349 1.00 0.00 N flip ATOM 0 H HIS A 74 -0.359 4.392 12.482 1.00 0.00 H new ATOM 0 HA HIS A 74 0.381 2.886 10.047 1.00 0.00 H new ATOM 0 HB2 HIS A 74 1.374 1.165 11.494 1.00 0.00 H new ATOM 0 HB3 HIS A 74 2.220 2.692 11.653 1.00 0.00 H new ATOM 0 HD2 HIS A 74 1.128 -0.022 13.656 1.00 0.00 H new ATOM 0 HE1 HIS A 74 0.607 3.087 16.413 1.00 0.00 H new ATOM 0 HE2 HIS A 74 0.761 0.566 16.103 1.00 0.00 H new ATOM 1116 N TYR A 75 -1.521 1.295 10.367 1.00 0.00 N ATOM 1117 CA TYR A 75 -2.754 0.523 10.450 1.00 0.00 C ATOM 1118 C TYR A 75 -2.489 -0.956 10.186 1.00 0.00 C ATOM 1119 O TYR A 75 -2.042 -1.336 9.103 1.00 0.00 O ATOM 1120 CB TYR A 75 -3.782 1.055 9.450 1.00 0.00 C ATOM 1121 CG TYR A 75 -4.145 2.506 9.669 1.00 0.00 C ATOM 1122 CD1 TYR A 75 -4.523 2.965 10.924 1.00 0.00 C ATOM 1123 CD2 TYR A 75 -4.110 3.417 8.620 1.00 0.00 C ATOM 1124 CE1 TYR A 75 -4.857 4.291 11.129 1.00 0.00 C ATOM 1125 CE2 TYR A 75 -4.440 4.745 8.817 1.00 0.00 C ATOM 1126 CZ TYR A 75 -4.813 5.176 10.073 1.00 0.00 C ATOM 1127 OH TYR A 75 -5.144 6.496 10.272 1.00 0.00 O ATOM 0 H TYR A 75 -0.974 1.127 9.522 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.151 0.628 11.460 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -3.389 0.936 8.440 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -4.686 0.449 9.514 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -4.557 2.275 11.754 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.820 3.082 7.635 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -5.151 4.631 12.111 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.406 5.441 7.992 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.060 6.985 9.427 1.00 0.00 H new ATOM 1137 N LYS A 76 -2.771 -1.788 11.183 1.00 0.00 N ATOM 1138 CA LYS A 76 -2.565 -3.227 11.061 1.00 0.00 C ATOM 1139 C LYS A 76 -3.837 -3.919 10.579 1.00 0.00 C ATOM 1140 O LYS A 76 -4.946 -3.480 10.882 1.00 0.00 O ATOM 1141 CB LYS A 76 -2.127 -3.816 12.404 1.00 0.00 C ATOM 1142 CG LYS A 76 -1.654 -5.256 12.309 1.00 0.00 C ATOM 1143 CD LYS A 76 -0.208 -5.338 11.849 1.00 0.00 C ATOM 1144 CE LYS A 76 0.451 -6.629 12.309 1.00 0.00 C ATOM 1145 NZ LYS A 76 0.000 -7.800 11.507 1.00 0.00 N ATOM 0 H LYS A 76 -3.143 -1.491 12.085 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.779 -3.396 10.325 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.324 -3.205 12.815 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.960 -3.761 13.105 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.756 -5.738 13.281 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.290 -5.804 11.613 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.167 -5.275 10.762 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.348 -4.485 12.239 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.534 -6.531 12.231 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.221 -6.799 13.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.472 -8.660 11.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.030 -7.909 11.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.242 -7.650 10.507 1.00 0.00 H new ATOM 1159 N VAL A 77 -3.668 -5.004 9.829 1.00 0.00 N ATOM 1160 CA VAL A 77 -4.802 -5.757 9.309 1.00 0.00 C ATOM 1161 C VAL A 77 -4.736 -7.217 9.741 1.00 0.00 C ATOM 1162 O VAL A 77 -3.753 -7.910 9.477 1.00 0.00 O ATOM 1163 CB VAL A 77 -4.862 -5.690 7.771 1.00 0.00 C ATOM 1164 CG1 VAL A 77 -6.011 -6.537 7.244 1.00 0.00 C ATOM 1165 CG2 VAL A 77 -4.996 -4.248 7.306 1.00 0.00 C ATOM 0 H VAL A 77 -2.757 -5.380 9.568 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.702 -5.300 9.721 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.932 -6.092 7.370 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.038 -6.477 6.156 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.867 -7.574 7.547 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.952 -6.167 7.651 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.037 -4.219 6.217 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.910 -3.817 7.715 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.137 -3.673 7.652 1.00 0.00 H new ATOM 1175 N LYS A 78 -5.789 -7.680 10.406 1.00 0.00 N ATOM 1176 CA LYS A 78 -5.853 -9.060 10.875 1.00 0.00 C ATOM 1177 C LYS A 78 -6.218 -10.005 9.734 1.00 0.00 C ATOM 1178 O LYS A 78 -6.924 -9.622 8.800 1.00 0.00 O ATOM 1179 CB LYS A 78 -6.875 -9.189 12.006 1.00 0.00 C ATOM 1180 CG LYS A 78 -6.703 -10.446 12.840 1.00 0.00 C ATOM 1181 CD LYS A 78 -7.973 -10.790 13.599 1.00 0.00 C ATOM 1182 CE LYS A 78 -7.991 -10.145 14.977 1.00 0.00 C ATOM 1183 NZ LYS A 78 -8.544 -8.763 14.935 1.00 0.00 N ATOM 0 H LYS A 78 -6.611 -7.120 10.633 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.868 -9.336 11.251 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.797 -8.318 12.656 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.878 -9.180 11.581 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.428 -11.279 12.192 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.883 -10.307 13.545 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.840 -10.457 13.029 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.055 -11.872 13.701 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.588 -10.755 15.656 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.978 -10.119 15.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.923 -8.124 15.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.601 -8.442 13.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.495 -8.757 15.356 1.00 0.00 H new ATOM 1197 N ARG A 79 -5.736 -11.240 9.818 1.00 0.00 N ATOM 1198 CA ARG A 79 -6.014 -12.240 8.793 1.00 0.00 C ATOM 1199 C ARG A 79 -6.913 -13.344 9.340 1.00 0.00 C ATOM 1200 O ARG A 79 -6.465 -14.205 10.096 1.00 0.00 O ATOM 1201 CB ARG A 79 -4.708 -12.843 8.272 1.00 0.00 C ATOM 1202 CG ARG A 79 -4.907 -14.091 7.429 1.00 0.00 C ATOM 1203 CD ARG A 79 -5.624 -13.775 6.127 1.00 0.00 C ATOM 1204 NE ARG A 79 -5.419 -14.816 5.123 1.00 0.00 N ATOM 1205 CZ ARG A 79 -4.249 -15.055 4.541 1.00 0.00 C ATOM 1206 NH1 ARG A 79 -3.184 -14.333 4.863 1.00 0.00 N ATOM 1207 NH2 ARG A 79 -4.141 -16.019 3.636 1.00 0.00 N ATOM 0 H ARG A 79 -5.151 -11.573 10.585 1.00 0.00 H new ATOM 0 HA ARG A 79 -6.533 -11.747 7.971 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.183 -12.094 7.679 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -4.066 -13.086 9.119 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -3.939 -14.543 7.212 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -5.482 -14.825 7.994 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -6.691 -13.662 6.319 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -5.267 -12.821 5.739 1.00 0.00 H new ATOM 0 HE ARG A 79 -6.218 -15.391 4.854 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -3.262 -13.592 5.559 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -2.287 -14.519 4.414 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -4.957 -16.578 3.386 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -3.242 -16.201 3.190 1.00 0.00 H new ATOM 1221 N GLU A 80 -8.185 -13.311 8.953 1.00 0.00 N ATOM 1222 CA GLU A 80 -9.147 -14.308 9.406 1.00 0.00 C ATOM 1223 C GLU A 80 -10.150 -14.637 8.304 1.00 0.00 C ATOM 1224 O GLU A 80 -10.939 -13.786 7.894 1.00 0.00 O ATOM 1225 CB GLU A 80 -9.885 -13.809 10.649 1.00 0.00 C ATOM 1226 CG GLU A 80 -11.066 -14.678 11.047 1.00 0.00 C ATOM 1227 CD GLU A 80 -10.646 -16.068 11.486 1.00 0.00 C ATOM 1228 OE1 GLU A 80 -9.857 -16.173 12.448 1.00 0.00 O ATOM 1229 OE2 GLU A 80 -11.108 -17.051 10.868 1.00 0.00 O ATOM 0 H GLU A 80 -8.572 -12.605 8.327 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.599 -15.216 9.657 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.184 -13.760 11.482 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.237 -12.793 10.469 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -11.611 -14.194 11.857 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -11.753 -14.759 10.205 1.00 0.00 H new ATOM 1236 N GLY A 81 -10.111 -15.878 7.827 1.00 0.00 N ATOM 1237 CA GLY A 81 -11.021 -16.297 6.775 1.00 0.00 C ATOM 1238 C GLY A 81 -10.667 -15.695 5.430 1.00 0.00 C ATOM 1239 O GLY A 81 -9.575 -15.164 5.230 1.00 0.00 O ATOM 0 H GLY A 81 -9.467 -16.600 8.149 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -11.007 -17.384 6.698 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -12.038 -16.009 7.042 1.00 0.00 H new ATOM 1243 N PRO A 82 -11.609 -15.775 4.478 1.00 0.00 N ATOM 1244 CA PRO A 82 -11.414 -15.240 3.126 1.00 0.00 C ATOM 1245 C PRO A 82 -11.385 -13.715 3.106 1.00 0.00 C ATOM 1246 O PRO A 82 -11.264 -13.101 2.046 1.00 0.00 O ATOM 1247 CB PRO A 82 -12.633 -15.761 2.360 1.00 0.00 C ATOM 1248 CG PRO A 82 -13.673 -15.977 3.404 1.00 0.00 C ATOM 1249 CD PRO A 82 -12.935 -16.394 4.646 1.00 0.00 C ATOM 0 HA PRO A 82 -10.460 -15.549 2.698 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -12.967 -15.042 1.611 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -12.403 -16.687 1.833 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -14.246 -15.066 3.578 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -14.382 -16.745 3.095 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -13.433 -16.039 5.548 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -12.865 -17.479 4.727 1.00 0.00 H new ATOM 1257 N LYS A 83 -11.494 -13.110 4.283 1.00 0.00 N ATOM 1258 CA LYS A 83 -11.478 -11.657 4.402 1.00 0.00 C ATOM 1259 C LYS A 83 -10.464 -11.207 5.448 1.00 0.00 C ATOM 1260 O LYS A 83 -9.964 -12.018 6.230 1.00 0.00 O ATOM 1261 CB LYS A 83 -12.870 -11.139 4.769 1.00 0.00 C ATOM 1262 CG LYS A 83 -13.512 -11.887 5.924 1.00 0.00 C ATOM 1263 CD LYS A 83 -13.155 -11.262 7.262 1.00 0.00 C ATOM 1264 CE LYS A 83 -13.408 -12.224 8.413 1.00 0.00 C ATOM 1265 NZ LYS A 83 -14.819 -12.162 8.886 1.00 0.00 N ATOM 0 H LYS A 83 -11.595 -13.604 5.170 1.00 0.00 H new ATOM 0 HA LYS A 83 -11.186 -11.242 3.437 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -12.799 -10.082 5.026 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -13.518 -11.212 3.895 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -14.595 -11.889 5.800 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -13.188 -12.928 5.910 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.106 -10.966 7.258 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -13.742 -10.355 7.409 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.176 -13.240 8.095 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -12.737 -11.987 9.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.952 -12.832 9.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -15.033 -11.198 9.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -15.458 -12.413 8.105 1.00 0.00 H new ATOM 1279 N TYR A 84 -10.166 -9.914 5.460 1.00 0.00 N ATOM 1280 CA TYR A 84 -9.211 -9.357 6.411 1.00 0.00 C ATOM 1281 C TYR A 84 -9.822 -8.187 7.176 1.00 0.00 C ATOM 1282 O TYR A 84 -10.018 -7.105 6.624 1.00 0.00 O ATOM 1283 CB TYR A 84 -7.944 -8.901 5.685 1.00 0.00 C ATOM 1284 CG TYR A 84 -7.576 -9.769 4.503 1.00 0.00 C ATOM 1285 CD1 TYR A 84 -7.579 -11.155 4.607 1.00 0.00 C ATOM 1286 CD2 TYR A 84 -7.226 -9.204 3.283 1.00 0.00 C ATOM 1287 CE1 TYR A 84 -7.243 -11.952 3.530 1.00 0.00 C ATOM 1288 CE2 TYR A 84 -6.890 -9.994 2.200 1.00 0.00 C ATOM 1289 CZ TYR A 84 -6.901 -11.368 2.329 1.00 0.00 C ATOM 1290 OH TYR A 84 -6.566 -12.158 1.253 1.00 0.00 O ATOM 0 H TYR A 84 -10.572 -9.230 4.821 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.951 -10.138 7.126 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -8.081 -7.875 5.343 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -7.114 -8.893 6.391 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -7.849 -11.617 5.545 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -7.216 -8.129 3.179 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -7.248 -13.027 3.628 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.620 -9.539 1.258 1.00 0.00 H new ATOM 0 HH TYR A 84 -6.352 -11.590 0.484 1.00 0.00 H new ATOM 1300 N VAL A 85 -10.119 -8.414 8.451 1.00 0.00 N ATOM 1301 CA VAL A 85 -10.707 -7.379 9.294 1.00 0.00 C ATOM 1302 C VAL A 85 -9.644 -6.401 9.784 1.00 0.00 C ATOM 1303 O VAL A 85 -8.744 -6.771 10.537 1.00 0.00 O ATOM 1304 CB VAL A 85 -11.426 -7.989 10.512 1.00 0.00 C ATOM 1305 CG1 VAL A 85 -12.600 -8.845 10.064 1.00 0.00 C ATOM 1306 CG2 VAL A 85 -10.454 -8.802 11.353 1.00 0.00 C ATOM 0 H VAL A 85 -9.962 -9.305 8.923 1.00 0.00 H new ATOM 0 HA VAL A 85 -11.434 -6.846 8.681 1.00 0.00 H new ATOM 0 HB VAL A 85 -11.812 -7.177 11.128 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -13.096 -9.268 10.938 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -13.307 -8.230 9.507 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.239 -9.652 9.426 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -10.979 -9.225 12.209 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.036 -9.607 10.749 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.649 -8.157 11.704 1.00 0.00 H new ATOM 1316 N ILE A 86 -9.756 -5.149 9.351 1.00 0.00 N ATOM 1317 CA ILE A 86 -8.807 -4.117 9.746 1.00 0.00 C ATOM 1318 C ILE A 86 -8.736 -3.987 11.264 1.00 0.00 C ATOM 1319 O ILE A 86 -9.697 -4.296 11.969 1.00 0.00 O ATOM 1320 CB ILE A 86 -9.178 -2.749 9.142 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -9.296 -2.855 7.620 1.00 0.00 C ATOM 1322 CG2 ILE A 86 -8.144 -1.701 9.527 1.00 0.00 C ATOM 1323 CD1 ILE A 86 -9.792 -1.585 6.963 1.00 0.00 C ATOM 0 H ILE A 86 -10.495 -4.826 8.727 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.833 -4.422 9.364 1.00 0.00 H new ATOM 0 HB ILE A 86 -10.144 -2.441 9.543 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -8.322 -3.113 7.205 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -9.974 -3.672 7.372 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -8.420 -0.740 9.093 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.104 -1.610 10.613 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -7.165 -2.001 9.152 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -9.851 -1.732 5.885 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.780 -1.337 7.350 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -9.102 -0.770 7.180 1.00 0.00 H new ATOM 1335 N ASP A 87 -7.592 -3.528 11.759 1.00 0.00 N ATOM 1336 CA ASP A 87 -7.396 -3.354 13.194 1.00 0.00 C ATOM 1337 C ASP A 87 -7.870 -1.976 13.644 1.00 0.00 C ATOM 1338 O ASP A 87 -7.076 -1.152 14.098 1.00 0.00 O ATOM 1339 CB ASP A 87 -5.921 -3.543 13.555 1.00 0.00 C ATOM 1340 CG ASP A 87 -5.733 -4.053 14.970 1.00 0.00 C ATOM 1341 OD1 ASP A 87 -6.135 -5.203 15.244 1.00 0.00 O ATOM 1342 OD2 ASP A 87 -5.184 -3.303 15.804 1.00 0.00 O ATOM 0 H ASP A 87 -6.787 -3.270 11.189 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.989 -4.109 13.711 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.466 -4.244 12.856 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.397 -2.594 13.441 1.00 0.00 H new ATOM 1347 N VAL A 88 -9.170 -1.731 13.514 1.00 0.00 N ATOM 1348 CA VAL A 88 -9.751 -0.453 13.909 1.00 0.00 C ATOM 1349 C VAL A 88 -10.936 -0.652 14.845 1.00 0.00 C ATOM 1350 O VAL A 88 -11.311 -1.783 15.153 1.00 0.00 O ATOM 1351 CB VAL A 88 -10.212 0.356 12.681 1.00 0.00 C ATOM 1352 CG1 VAL A 88 -9.033 1.074 12.040 1.00 0.00 C ATOM 1353 CG2 VAL A 88 -10.904 -0.551 11.675 1.00 0.00 C ATOM 0 H VAL A 88 -9.841 -2.401 13.138 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.970 0.101 14.430 1.00 0.00 H new ATOM 0 HB VAL A 88 -10.928 1.108 13.012 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -9.378 1.640 11.175 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -8.585 1.755 12.763 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -8.290 0.342 11.722 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -11.223 0.037 10.814 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -10.212 -1.327 11.348 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -11.774 -1.014 12.141 1.00 0.00 H new ATOM 1363 N GLU A 89 -11.521 0.453 15.296 1.00 0.00 N ATOM 1364 CA GLU A 89 -12.664 0.398 16.198 1.00 0.00 C ATOM 1365 C GLU A 89 -13.546 -0.807 15.887 1.00 0.00 C ATOM 1366 O GLU A 89 -13.937 -1.552 16.786 1.00 0.00 O ATOM 1367 CB GLU A 89 -13.486 1.685 16.096 1.00 0.00 C ATOM 1368 CG GLU A 89 -13.429 2.336 14.724 1.00 0.00 C ATOM 1369 CD GLU A 89 -12.290 3.328 14.596 1.00 0.00 C ATOM 1370 OE1 GLU A 89 -11.513 3.467 15.564 1.00 0.00 O ATOM 1371 OE2 GLU A 89 -12.176 3.968 13.529 1.00 0.00 O ATOM 0 H GLU A 89 -11.222 1.397 15.051 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.286 0.297 17.215 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -14.525 1.463 16.341 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -13.128 2.395 16.841 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -13.320 1.563 13.963 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -14.373 2.845 14.528 1.00 0.00 H new ATOM 1378 N GLN A 90 -13.857 -0.992 14.608 1.00 0.00 N ATOM 1379 CA GLN A 90 -14.693 -2.105 14.178 1.00 0.00 C ATOM 1380 C GLN A 90 -13.982 -2.944 13.121 1.00 0.00 C ATOM 1381 O GLN A 90 -13.307 -2.424 12.232 1.00 0.00 O ATOM 1382 CB GLN A 90 -16.023 -1.589 13.626 1.00 0.00 C ATOM 1383 CG GLN A 90 -16.958 -1.051 14.697 1.00 0.00 C ATOM 1384 CD GLN A 90 -18.386 -0.911 14.208 1.00 0.00 C ATOM 1385 OE1 GLN A 90 -18.673 -0.118 13.311 1.00 0.00 O ATOM 1386 NE2 GLN A 90 -19.293 -1.683 14.797 1.00 0.00 N ATOM 0 H GLN A 90 -13.542 -0.385 13.852 1.00 0.00 H new ATOM 0 HA GLN A 90 -14.888 -2.735 15.046 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -15.824 -0.801 12.900 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -16.523 -2.397 13.091 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -16.937 -1.717 15.560 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -16.597 -0.080 15.035 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -19.012 -2.327 15.537 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -20.270 -1.632 14.509 1.00 0.00 H new ATOM 1395 N PRO A 91 -14.136 -4.273 13.217 1.00 0.00 N ATOM 1396 CA PRO A 91 -13.516 -5.212 12.278 1.00 0.00 C ATOM 1397 C PRO A 91 -14.143 -5.142 10.890 1.00 0.00 C ATOM 1398 O PRO A 91 -15.125 -5.829 10.606 1.00 0.00 O ATOM 1399 CB PRO A 91 -13.779 -6.578 12.916 1.00 0.00 C ATOM 1400 CG PRO A 91 -14.996 -6.378 13.752 1.00 0.00 C ATOM 1401 CD PRO A 91 -14.927 -4.961 14.252 1.00 0.00 C ATOM 0 HA PRO A 91 -12.459 -4.996 12.123 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -13.941 -7.344 12.158 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -12.932 -6.902 13.521 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -15.902 -6.542 13.168 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -15.020 -7.084 14.582 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -15.920 -4.523 14.357 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -14.448 -4.902 15.229 1.00 0.00 H new ATOM 1409 N PHE A 92 -13.571 -4.309 10.028 1.00 0.00 N ATOM 1410 CA PHE A 92 -14.076 -4.149 8.669 1.00 0.00 C ATOM 1411 C PHE A 92 -13.703 -5.350 7.805 1.00 0.00 C ATOM 1412 O PHE A 92 -12.564 -5.477 7.357 1.00 0.00 O ATOM 1413 CB PHE A 92 -13.522 -2.867 8.044 1.00 0.00 C ATOM 1414 CG PHE A 92 -13.771 -2.764 6.566 1.00 0.00 C ATOM 1415 CD1 PHE A 92 -15.063 -2.709 6.070 1.00 0.00 C ATOM 1416 CD2 PHE A 92 -12.712 -2.724 5.673 1.00 0.00 C ATOM 1417 CE1 PHE A 92 -15.295 -2.613 4.711 1.00 0.00 C ATOM 1418 CE2 PHE A 92 -12.938 -2.629 4.314 1.00 0.00 C ATOM 1419 CZ PHE A 92 -14.232 -2.575 3.831 1.00 0.00 C ATOM 0 H PHE A 92 -12.757 -3.734 10.246 1.00 0.00 H new ATOM 0 HA PHE A 92 -15.163 -4.082 8.718 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -13.971 -2.007 8.541 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -12.449 -2.817 8.228 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -15.899 -2.742 6.753 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -11.699 -2.768 6.044 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -16.307 -2.568 4.338 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -12.104 -2.597 3.629 1.00 0.00 H new ATOM 0 HZ PHE A 92 -14.411 -2.503 2.768 1.00 0.00 H new ATOM 1429 N SER A 93 -14.673 -6.231 7.577 1.00 0.00 N ATOM 1430 CA SER A 93 -14.446 -7.426 6.772 1.00 0.00 C ATOM 1431 C SER A 93 -14.282 -7.064 5.299 1.00 0.00 C ATOM 1432 O SER A 93 -15.208 -6.557 4.666 1.00 0.00 O ATOM 1433 CB SER A 93 -15.607 -8.408 6.942 1.00 0.00 C ATOM 1434 OG SER A 93 -16.809 -7.872 6.417 1.00 0.00 O ATOM 0 H SER A 93 -15.623 -6.140 7.938 1.00 0.00 H new ATOM 0 HA SER A 93 -13.526 -7.899 7.117 1.00 0.00 H new ATOM 0 HB2 SER A 93 -15.372 -9.345 6.437 1.00 0.00 H new ATOM 0 HB3 SER A 93 -15.740 -8.640 7.999 1.00 0.00 H new ATOM 0 HG SER A 93 -16.602 -7.283 5.662 1.00 0.00 H new ATOM 1440 N CYS A 94 -13.097 -7.330 4.760 1.00 0.00 N ATOM 1441 CA CYS A 94 -12.810 -7.032 3.362 1.00 0.00 C ATOM 1442 C CYS A 94 -12.581 -8.315 2.568 1.00 0.00 C ATOM 1443 O CYS A 94 -11.814 -9.185 2.982 1.00 0.00 O ATOM 1444 CB CYS A 94 -11.584 -6.125 3.253 1.00 0.00 C ATOM 1445 SG CYS A 94 -10.037 -6.909 3.767 1.00 0.00 S ATOM 0 H CYS A 94 -12.320 -7.751 5.270 1.00 0.00 H new ATOM 0 HA CYS A 94 -13.673 -6.515 2.942 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -11.484 -5.790 2.221 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -11.748 -5.236 3.862 1.00 0.00 H new ATOM 0 HG CYS A 94 -9.981 -6.948 5.065 1.00 0.00 H new ATOM 1451 N THR A 95 -13.251 -8.426 1.426 1.00 0.00 N ATOM 1452 CA THR A 95 -13.123 -9.604 0.577 1.00 0.00 C ATOM 1453 C THR A 95 -11.678 -9.810 0.137 1.00 0.00 C ATOM 1454 O THR A 95 -11.210 -10.942 0.021 1.00 0.00 O ATOM 1455 CB THR A 95 -14.017 -9.495 -0.672 1.00 0.00 C ATOM 1456 OG1 THR A 95 -13.733 -8.279 -1.375 1.00 0.00 O ATOM 1457 CG2 THR A 95 -15.489 -9.533 -0.290 1.00 0.00 C ATOM 0 H THR A 95 -13.888 -7.715 1.067 1.00 0.00 H new ATOM 0 HA THR A 95 -13.444 -10.459 1.172 1.00 0.00 H new ATOM 0 HB THR A 95 -13.803 -10.346 -1.318 1.00 0.00 H new ATOM 0 HG1 THR A 95 -14.305 -8.219 -2.169 1.00 0.00 H new ATOM 0 HG21 THR A 95 -16.100 -9.454 -1.189 1.00 0.00 H new ATOM 0 HG22 THR A 95 -15.709 -10.472 0.218 1.00 0.00 H new ATOM 0 HG23 THR A 95 -15.714 -8.700 0.376 1.00 0.00 H new ATOM 1465 N SER A 96 -10.975 -8.708 -0.106 1.00 0.00 N ATOM 1466 CA SER A 96 -9.583 -8.768 -0.536 1.00 0.00 C ATOM 1467 C SER A 96 -8.831 -7.507 -0.121 1.00 0.00 C ATOM 1468 O SER A 96 -9.405 -6.597 0.479 1.00 0.00 O ATOM 1469 CB SER A 96 -9.503 -8.947 -2.053 1.00 0.00 C ATOM 1470 OG SER A 96 -8.309 -9.612 -2.426 1.00 0.00 O ATOM 0 H SER A 96 -11.347 -7.763 -0.012 1.00 0.00 H new ATOM 0 HA SER A 96 -9.116 -9.625 -0.051 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.364 -9.517 -2.401 1.00 0.00 H new ATOM 0 HB3 SER A 96 -9.548 -7.973 -2.540 1.00 0.00 H new ATOM 0 HG SER A 96 -8.283 -9.716 -3.400 1.00 0.00 H new ATOM 1476 N LEU A 97 -7.544 -7.460 -0.445 1.00 0.00 N ATOM 1477 CA LEU A 97 -6.711 -6.310 -0.107 1.00 0.00 C ATOM 1478 C LEU A 97 -7.176 -5.063 -0.852 1.00 0.00 C ATOM 1479 O LEU A 97 -7.291 -3.986 -0.266 1.00 0.00 O ATOM 1480 CB LEU A 97 -5.247 -6.602 -0.442 1.00 0.00 C ATOM 1481 CG LEU A 97 -4.420 -7.248 0.669 1.00 0.00 C ATOM 1482 CD1 LEU A 97 -2.973 -7.414 0.231 1.00 0.00 C ATOM 1483 CD2 LEU A 97 -4.502 -6.422 1.944 1.00 0.00 C ATOM 0 H LEU A 97 -7.054 -8.204 -0.941 1.00 0.00 H new ATOM 0 HA LEU A 97 -6.804 -6.126 0.963 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.218 -7.254 -1.315 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.767 -5.666 -0.727 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.831 -8.237 0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.400 -7.876 1.035 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.931 -8.048 -0.654 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.549 -6.437 -0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.907 -6.897 2.724 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.117 -5.420 1.754 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.540 -6.356 2.269 1.00 0.00 H new ATOM 1495 N ASP A 98 -7.446 -5.217 -2.143 1.00 0.00 N ATOM 1496 CA ASP A 98 -7.903 -4.104 -2.966 1.00 0.00 C ATOM 1497 C ASP A 98 -8.971 -3.293 -2.240 1.00 0.00 C ATOM 1498 O ASP A 98 -8.892 -2.067 -2.170 1.00 0.00 O ATOM 1499 CB ASP A 98 -8.453 -4.618 -4.297 1.00 0.00 C ATOM 1500 CG ASP A 98 -9.169 -5.947 -4.153 1.00 0.00 C ATOM 1501 OD1 ASP A 98 -10.252 -5.974 -3.532 1.00 0.00 O ATOM 1502 OD2 ASP A 98 -8.646 -6.960 -4.662 1.00 0.00 O ATOM 0 H ASP A 98 -7.356 -6.102 -2.642 1.00 0.00 H new ATOM 0 HA ASP A 98 -7.049 -3.455 -3.161 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -9.141 -3.881 -4.711 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -7.634 -4.725 -5.008 1.00 0.00 H new ATOM 1507 N ALA A 99 -9.968 -3.985 -1.701 1.00 0.00 N ATOM 1508 CA ALA A 99 -11.051 -3.330 -0.979 1.00 0.00 C ATOM 1509 C ALA A 99 -10.509 -2.440 0.135 1.00 0.00 C ATOM 1510 O ALA A 99 -11.027 -1.350 0.381 1.00 0.00 O ATOM 1511 CB ALA A 99 -12.010 -4.367 -0.410 1.00 0.00 C ATOM 0 H ALA A 99 -10.048 -5.001 -1.751 1.00 0.00 H new ATOM 0 HA ALA A 99 -11.593 -2.698 -1.682 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -12.814 -3.863 0.127 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -12.431 -4.958 -1.223 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -11.472 -5.023 0.274 1.00 0.00 H new ATOM 1517 N VAL A 100 -9.464 -2.912 0.806 1.00 0.00 N ATOM 1518 CA VAL A 100 -8.851 -2.158 1.894 1.00 0.00 C ATOM 1519 C VAL A 100 -8.489 -0.747 1.448 1.00 0.00 C ATOM 1520 O VAL A 100 -8.748 0.225 2.158 1.00 0.00 O ATOM 1521 CB VAL A 100 -7.585 -2.860 2.418 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -6.965 -2.064 3.557 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -7.906 -4.279 2.862 1.00 0.00 C ATOM 0 H VAL A 100 -9.024 -3.812 0.616 1.00 0.00 H new ATOM 0 HA VAL A 100 -9.586 -2.104 2.697 1.00 0.00 H new ATOM 0 HB VAL A 100 -6.859 -2.914 1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -6.071 -2.576 3.914 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.696 -1.069 3.201 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -7.683 -1.976 4.372 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -6.999 -4.759 3.229 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -8.650 -4.252 3.658 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.299 -4.844 2.017 1.00 0.00 H new ATOM 1533 N VAL A 101 -7.888 -0.640 0.268 1.00 0.00 N ATOM 1534 CA VAL A 101 -7.491 0.655 -0.275 1.00 0.00 C ATOM 1535 C VAL A 101 -8.687 1.593 -0.387 1.00 0.00 C ATOM 1536 O VAL A 101 -8.558 2.803 -0.204 1.00 0.00 O ATOM 1537 CB VAL A 101 -6.838 0.506 -1.662 1.00 0.00 C ATOM 1538 CG1 VAL A 101 -6.624 1.870 -2.300 1.00 0.00 C ATOM 1539 CG2 VAL A 101 -5.523 -0.254 -1.552 1.00 0.00 C ATOM 0 H VAL A 101 -7.665 -1.435 -0.331 1.00 0.00 H new ATOM 0 HA VAL A 101 -6.763 1.079 0.417 1.00 0.00 H new ATOM 0 HB VAL A 101 -7.509 -0.066 -2.302 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -6.162 1.745 -3.279 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -7.584 2.373 -2.413 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.972 2.470 -1.665 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -5.075 -0.351 -2.541 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -4.842 0.289 -0.897 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -5.709 -1.246 -1.140 1.00 0.00 H new ATOM 1549 N ASN A 102 -9.851 1.027 -0.688 1.00 0.00 N ATOM 1550 CA ASN A 102 -11.071 1.814 -0.824 1.00 0.00 C ATOM 1551 C ASN A 102 -11.694 2.093 0.541 1.00 0.00 C ATOM 1552 O ASN A 102 -12.452 3.049 0.705 1.00 0.00 O ATOM 1553 CB ASN A 102 -12.077 1.083 -1.716 1.00 0.00 C ATOM 1554 CG ASN A 102 -11.703 1.150 -3.184 1.00 0.00 C ATOM 1555 OD1 ASN A 102 -12.260 1.944 -3.943 1.00 0.00 O ATOM 1556 ND2 ASN A 102 -10.755 0.314 -3.592 1.00 0.00 N ATOM 0 H ASN A 102 -9.975 0.026 -0.842 1.00 0.00 H new ATOM 0 HA ASN A 102 -10.810 2.766 -1.286 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -12.141 0.040 -1.407 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -13.066 1.518 -1.576 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -10.462 0.313 -4.569 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -10.320 -0.327 -2.928 1.00 0.00 H new ATOM 1563 N TYR A 103 -11.368 1.253 1.516 1.00 0.00 N ATOM 1564 CA TYR A 103 -11.896 1.408 2.867 1.00 0.00 C ATOM 1565 C TYR A 103 -11.616 2.808 3.404 1.00 0.00 C ATOM 1566 O TYR A 103 -12.520 3.494 3.881 1.00 0.00 O ATOM 1567 CB TYR A 103 -11.285 0.360 3.799 1.00 0.00 C ATOM 1568 CG TYR A 103 -11.769 0.465 5.228 1.00 0.00 C ATOM 1569 CD1 TYR A 103 -13.033 0.015 5.589 1.00 0.00 C ATOM 1570 CD2 TYR A 103 -10.963 1.017 6.216 1.00 0.00 C ATOM 1571 CE1 TYR A 103 -13.479 0.110 6.893 1.00 0.00 C ATOM 1572 CE2 TYR A 103 -11.401 1.114 7.522 1.00 0.00 C ATOM 1573 CZ TYR A 103 -12.659 0.660 7.856 1.00 0.00 C ATOM 1574 OH TYR A 103 -13.099 0.756 9.156 1.00 0.00 O ATOM 0 H TYR A 103 -10.741 0.458 1.397 1.00 0.00 H new ATOM 0 HA TYR A 103 -12.976 1.263 2.827 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -11.519 -0.634 3.417 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -10.200 0.461 3.783 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -13.678 -0.416 4.837 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -9.978 1.376 5.958 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -14.464 -0.244 7.157 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -10.761 1.544 8.278 1.00 0.00 H new ATOM 0 HH TYR A 103 -13.725 0.026 9.344 1.00 0.00 H new ATOM 1584 N PHE A 104 -10.357 3.225 3.322 1.00 0.00 N ATOM 1585 CA PHE A 104 -9.956 4.543 3.800 1.00 0.00 C ATOM 1586 C PHE A 104 -10.439 5.636 2.851 1.00 0.00 C ATOM 1587 O PHE A 104 -10.838 6.718 3.283 1.00 0.00 O ATOM 1588 CB PHE A 104 -8.434 4.614 3.947 1.00 0.00 C ATOM 1589 CG PHE A 104 -7.903 3.804 5.095 1.00 0.00 C ATOM 1590 CD1 PHE A 104 -8.318 4.063 6.391 1.00 0.00 C ATOM 1591 CD2 PHE A 104 -6.990 2.786 4.877 1.00 0.00 C ATOM 1592 CE1 PHE A 104 -7.831 3.318 7.450 1.00 0.00 C ATOM 1593 CE2 PHE A 104 -6.501 2.038 5.931 1.00 0.00 C ATOM 1594 CZ PHE A 104 -6.921 2.306 7.220 1.00 0.00 C ATOM 0 H PHE A 104 -9.597 2.670 2.929 1.00 0.00 H new ATOM 0 HA PHE A 104 -10.416 4.704 4.775 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -7.971 4.267 3.023 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -8.138 5.655 4.080 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -9.029 4.855 6.577 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -6.656 2.574 3.872 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -8.163 3.528 8.456 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -5.791 1.245 5.748 1.00 0.00 H new ATOM 0 HZ PHE A 104 -6.538 1.725 8.046 1.00 0.00 H new ATOM 1604 N VAL A 105 -10.398 5.346 1.554 1.00 0.00 N ATOM 1605 CA VAL A 105 -10.832 6.302 0.544 1.00 0.00 C ATOM 1606 C VAL A 105 -12.122 6.998 0.962 1.00 0.00 C ATOM 1607 O VAL A 105 -12.204 8.226 0.967 1.00 0.00 O ATOM 1608 CB VAL A 105 -11.050 5.617 -0.819 1.00 0.00 C ATOM 1609 CG1 VAL A 105 -11.986 6.444 -1.688 1.00 0.00 C ATOM 1610 CG2 VAL A 105 -9.719 5.392 -1.521 1.00 0.00 C ATOM 0 H VAL A 105 -10.069 4.456 1.179 1.00 0.00 H new ATOM 0 HA VAL A 105 -10.038 7.043 0.449 1.00 0.00 H new ATOM 0 HB VAL A 105 -11.514 4.646 -0.648 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -12.128 5.945 -2.647 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -12.948 6.550 -1.188 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -11.553 7.430 -1.853 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.892 4.907 -2.482 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -9.226 6.351 -1.682 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.085 4.757 -0.903 1.00 0.00 H new ATOM 1620 N SER A 106 -13.129 6.204 1.314 1.00 0.00 N ATOM 1621 CA SER A 106 -14.418 6.744 1.732 1.00 0.00 C ATOM 1622 C SER A 106 -14.255 7.663 2.939 1.00 0.00 C ATOM 1623 O SER A 106 -14.467 8.874 2.846 1.00 0.00 O ATOM 1624 CB SER A 106 -15.385 5.608 2.068 1.00 0.00 C ATOM 1625 OG SER A 106 -16.130 5.219 0.927 1.00 0.00 O ATOM 0 H SER A 106 -13.077 5.185 1.318 1.00 0.00 H new ATOM 0 HA SER A 106 -14.826 7.326 0.906 1.00 0.00 H new ATOM 0 HB2 SER A 106 -14.828 4.753 2.451 1.00 0.00 H new ATOM 0 HB3 SER A 106 -16.064 5.926 2.859 1.00 0.00 H new ATOM 0 HG SER A 106 -16.740 4.490 1.167 1.00 0.00 H new ATOM 1631 N HIS A 107 -13.879 7.081 4.073 1.00 0.00 N ATOM 1632 CA HIS A 107 -13.688 7.846 5.299 1.00 0.00 C ATOM 1633 C HIS A 107 -12.981 9.167 5.011 1.00 0.00 C ATOM 1634 O HIS A 107 -13.573 10.240 5.128 1.00 0.00 O ATOM 1635 CB HIS A 107 -12.882 7.033 6.313 1.00 0.00 C ATOM 1636 CG HIS A 107 -13.183 5.567 6.279 1.00 0.00 C ATOM 1637 ND1 HIS A 107 -14.454 5.063 6.104 1.00 0.00 N ATOM 1638 CD2 HIS A 107 -12.367 4.493 6.397 1.00 0.00 C ATOM 1639 CE1 HIS A 107 -14.408 3.742 6.117 1.00 0.00 C ATOM 1640 NE2 HIS A 107 -13.153 3.371 6.294 1.00 0.00 N ATOM 0 H HIS A 107 -13.700 6.081 4.168 1.00 0.00 H new ATOM 0 HA HIS A 107 -14.670 8.064 5.718 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -11.819 7.182 6.123 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -13.083 7.414 7.314 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -11.297 4.514 6.545 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -15.253 3.079 6.002 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -12.821 2.408 6.346 1.00 0.00 H new ATOM 1649 N THR A 108 -11.709 9.082 4.633 1.00 0.00 N ATOM 1650 CA THR A 108 -10.920 10.269 4.329 1.00 0.00 C ATOM 1651 C THR A 108 -11.767 11.328 3.633 1.00 0.00 C ATOM 1652 O THR A 108 -12.778 11.015 3.004 1.00 0.00 O ATOM 1653 CB THR A 108 -9.711 9.928 3.439 1.00 0.00 C ATOM 1654 OG1 THR A 108 -10.159 9.439 2.170 1.00 0.00 O ATOM 1655 CG2 THR A 108 -8.825 8.885 4.106 1.00 0.00 C ATOM 0 H THR A 108 -11.203 8.202 4.530 1.00 0.00 H new ATOM 0 HA THR A 108 -10.561 10.662 5.280 1.00 0.00 H new ATOM 0 HB THR A 108 -9.128 10.837 3.292 1.00 0.00 H new ATOM 0 HG1 THR A 108 -11.071 9.090 2.257 1.00 0.00 H new ATOM 0 HG21 THR A 108 -7.977 8.660 3.459 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.462 9.271 5.058 1.00 0.00 H new ATOM 0 HG23 THR A 108 -9.401 7.976 4.279 1.00 0.00 H new ATOM 1663 N LYS A 109 -11.348 12.584 3.747 1.00 0.00 N ATOM 1664 CA LYS A 109 -12.066 13.690 3.126 1.00 0.00 C ATOM 1665 C LYS A 109 -12.708 13.254 1.813 1.00 0.00 C ATOM 1666 O LYS A 109 -13.920 13.053 1.738 1.00 0.00 O ATOM 1667 CB LYS A 109 -11.117 14.865 2.877 1.00 0.00 C ATOM 1668 CG LYS A 109 -11.728 15.972 2.035 1.00 0.00 C ATOM 1669 CD LYS A 109 -12.886 16.645 2.755 1.00 0.00 C ATOM 1670 CE LYS A 109 -13.849 17.294 1.773 1.00 0.00 C ATOM 1671 NZ LYS A 109 -15.239 17.336 2.306 1.00 0.00 N ATOM 0 H LYS A 109 -10.514 12.861 4.264 1.00 0.00 H new ATOM 0 HA LYS A 109 -12.855 14.006 3.808 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -10.805 15.279 3.836 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -10.219 14.497 2.382 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -10.965 16.714 1.798 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -12.077 15.560 1.088 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -13.419 15.909 3.357 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -12.501 17.399 3.441 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -13.514 18.307 1.552 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -13.837 16.742 0.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -15.865 17.785 1.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -15.568 16.368 2.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -15.256 17.884 3.189 1.00 0.00 H new ATOM 1685 N LYS A 110 -11.887 13.106 0.778 1.00 0.00 N ATOM 1686 CA LYS A 110 -12.373 12.692 -0.532 1.00 0.00 C ATOM 1687 C LYS A 110 -11.765 11.353 -0.940 1.00 0.00 C ATOM 1688 O LYS A 110 -12.481 10.416 -1.287 1.00 0.00 O ATOM 1689 CB LYS A 110 -12.044 13.755 -1.582 1.00 0.00 C ATOM 1690 CG LYS A 110 -12.317 13.307 -3.008 1.00 0.00 C ATOM 1691 CD LYS A 110 -11.420 14.028 -4.000 1.00 0.00 C ATOM 1692 CE LYS A 110 -12.060 15.315 -4.498 1.00 0.00 C ATOM 1693 NZ LYS A 110 -11.731 16.472 -3.621 1.00 0.00 N ATOM 0 H LYS A 110 -10.881 13.267 0.822 1.00 0.00 H new ATOM 0 HA LYS A 110 -13.455 12.576 -0.469 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -12.627 14.652 -1.374 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -10.993 14.030 -1.491 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -12.160 12.231 -3.089 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -13.361 13.496 -3.256 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -10.464 14.255 -3.529 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -11.211 13.373 -4.846 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -11.721 15.520 -5.513 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -13.142 15.189 -4.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -12.157 17.336 -4.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -12.107 16.302 -2.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -10.699 16.587 -3.571 1.00 0.00 H new ATOM 1707 N ALA A 111 -10.439 11.273 -0.891 1.00 0.00 N ATOM 1708 CA ALA A 111 -9.735 10.048 -1.252 1.00 0.00 C ATOM 1709 C ALA A 111 -8.237 10.181 -0.996 1.00 0.00 C ATOM 1710 O ALA A 111 -7.708 11.290 -0.902 1.00 0.00 O ATOM 1711 CB ALA A 111 -9.994 9.700 -2.709 1.00 0.00 C ATOM 0 H ALA A 111 -9.831 12.041 -0.605 1.00 0.00 H new ATOM 0 HA ALA A 111 -10.115 9.241 -0.625 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -9.462 8.783 -2.964 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -11.063 9.554 -2.864 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -9.643 10.512 -3.345 1.00 0.00 H new ATOM 1717 N LEU A 112 -7.558 9.045 -0.884 1.00 0.00 N ATOM 1718 CA LEU A 112 -6.120 9.034 -0.638 1.00 0.00 C ATOM 1719 C LEU A 112 -5.373 8.393 -1.804 1.00 0.00 C ATOM 1720 O LEU A 112 -5.534 7.204 -2.079 1.00 0.00 O ATOM 1721 CB LEU A 112 -5.809 8.282 0.656 1.00 0.00 C ATOM 1722 CG LEU A 112 -4.580 8.759 1.432 1.00 0.00 C ATOM 1723 CD1 LEU A 112 -4.693 10.242 1.751 1.00 0.00 C ATOM 1724 CD2 LEU A 112 -4.407 7.949 2.708 1.00 0.00 C ATOM 0 H LEU A 112 -7.980 8.119 -0.960 1.00 0.00 H new ATOM 0 HA LEU A 112 -5.786 10.067 -0.540 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.677 8.353 1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -5.675 7.227 0.416 1.00 0.00 H new ATOM 0 HG LEU A 112 -3.699 8.608 0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.810 10.564 2.303 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -4.767 10.809 0.823 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.583 10.417 2.356 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -3.528 8.302 3.247 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -5.290 8.067 3.336 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -4.279 6.896 2.456 1.00 0.00 H new ATOM 1736 N VAL A 113 -4.555 9.189 -2.486 1.00 0.00 N ATOM 1737 CA VAL A 113 -3.781 8.698 -3.619 1.00 0.00 C ATOM 1738 C VAL A 113 -2.891 7.529 -3.214 1.00 0.00 C ATOM 1739 O VAL A 113 -2.016 7.652 -2.356 1.00 0.00 O ATOM 1740 CB VAL A 113 -2.903 9.811 -4.223 1.00 0.00 C ATOM 1741 CG1 VAL A 113 -2.077 9.272 -5.380 1.00 0.00 C ATOM 1742 CG2 VAL A 113 -3.763 10.983 -4.671 1.00 0.00 C ATOM 0 H VAL A 113 -4.412 10.176 -2.273 1.00 0.00 H new ATOM 0 HA VAL A 113 -4.498 8.362 -4.368 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.217 10.166 -3.454 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -1.464 10.073 -5.793 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -1.433 8.468 -5.024 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -2.742 8.888 -6.154 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -3.127 11.760 -5.095 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.474 10.645 -5.425 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.305 11.385 -3.815 1.00 0.00 H new ATOM 1752 N PRO A 114 -3.118 6.367 -3.842 1.00 0.00 N ATOM 1753 CA PRO A 114 -2.346 5.151 -3.563 1.00 0.00 C ATOM 1754 C PRO A 114 -0.908 5.252 -4.059 1.00 0.00 C ATOM 1755 O PRO A 114 -0.662 5.612 -5.210 1.00 0.00 O ATOM 1756 CB PRO A 114 -3.104 4.066 -4.333 1.00 0.00 C ATOM 1757 CG PRO A 114 -3.798 4.796 -5.430 1.00 0.00 C ATOM 1758 CD PRO A 114 -4.145 6.149 -4.875 1.00 0.00 C ATOM 0 HA PRO A 114 -2.264 4.955 -2.494 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -2.423 3.312 -4.728 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -3.815 3.548 -3.690 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -3.155 4.887 -6.305 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -4.694 4.263 -5.747 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -4.111 6.920 -5.645 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -5.150 6.165 -4.453 1.00 0.00 H new ATOM 1766 N PHE A 115 0.039 4.930 -3.184 1.00 0.00 N ATOM 1767 CA PHE A 115 1.453 4.985 -3.534 1.00 0.00 C ATOM 1768 C PHE A 115 1.861 3.756 -4.342 1.00 0.00 C ATOM 1769 O PHE A 115 1.419 2.641 -4.063 1.00 0.00 O ATOM 1770 CB PHE A 115 2.309 5.085 -2.270 1.00 0.00 C ATOM 1771 CG PHE A 115 3.742 5.444 -2.542 1.00 0.00 C ATOM 1772 CD1 PHE A 115 4.605 4.522 -3.113 1.00 0.00 C ATOM 1773 CD2 PHE A 115 4.226 6.704 -2.228 1.00 0.00 C ATOM 1774 CE1 PHE A 115 5.924 4.851 -3.364 1.00 0.00 C ATOM 1775 CE2 PHE A 115 5.544 7.038 -2.477 1.00 0.00 C ATOM 1776 CZ PHE A 115 6.393 6.111 -3.048 1.00 0.00 C ATOM 0 H PHE A 115 -0.147 4.628 -2.228 1.00 0.00 H new ATOM 0 HA PHE A 115 1.616 5.872 -4.146 1.00 0.00 H new ATOM 0 HB2 PHE A 115 1.876 5.833 -1.606 1.00 0.00 H new ATOM 0 HB3 PHE A 115 2.276 4.132 -1.742 1.00 0.00 H new ATOM 0 HD1 PHE A 115 4.243 3.536 -3.365 1.00 0.00 H new ATOM 0 HD2 PHE A 115 3.566 7.434 -1.783 1.00 0.00 H new ATOM 0 HE1 PHE A 115 6.587 4.123 -3.807 1.00 0.00 H new ATOM 0 HE2 PHE A 115 5.909 8.023 -2.225 1.00 0.00 H new ATOM 0 HZ PHE A 115 7.422 6.371 -3.247 1.00 0.00 H new ATOM 1786 N LEU A 116 2.706 3.969 -5.345 1.00 0.00 N ATOM 1787 CA LEU A 116 3.175 2.881 -6.195 1.00 0.00 C ATOM 1788 C LEU A 116 4.601 3.138 -6.672 1.00 0.00 C ATOM 1789 O LEU A 116 4.921 4.226 -7.148 1.00 0.00 O ATOM 1790 CB LEU A 116 2.245 2.711 -7.399 1.00 0.00 C ATOM 1791 CG LEU A 116 2.720 1.743 -8.482 1.00 0.00 C ATOM 1792 CD1 LEU A 116 2.626 0.306 -7.992 1.00 0.00 C ATOM 1793 CD2 LEU A 116 1.909 1.928 -9.756 1.00 0.00 C ATOM 0 H LEU A 116 3.080 4.886 -5.589 1.00 0.00 H new ATOM 0 HA LEU A 116 3.169 1.964 -5.606 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.274 2.372 -7.038 1.00 0.00 H new ATOM 0 HB3 LEU A 116 2.092 3.689 -7.856 1.00 0.00 H new ATOM 0 HG LEU A 116 3.764 1.962 -8.705 1.00 0.00 H new ATOM 0 HD11 LEU A 116 2.968 -0.369 -8.776 1.00 0.00 H new ATOM 0 HD12 LEU A 116 3.251 0.181 -7.108 1.00 0.00 H new ATOM 0 HD13 LEU A 116 1.591 0.074 -7.740 1.00 0.00 H new ATOM 0 HD21 LEU A 116 2.261 1.231 -10.516 1.00 0.00 H new ATOM 0 HD22 LEU A 116 0.856 1.737 -9.548 1.00 0.00 H new ATOM 0 HD23 LEU A 116 2.028 2.949 -10.118 1.00 0.00 H new ATOM 1805 N LEU A 117 5.452 2.126 -6.542 1.00 0.00 N ATOM 1806 CA LEU A 117 6.845 2.240 -6.962 1.00 0.00 C ATOM 1807 C LEU A 117 7.197 1.163 -7.982 1.00 0.00 C ATOM 1808 O LEU A 117 7.237 -0.025 -7.656 1.00 0.00 O ATOM 1809 CB LEU A 117 7.773 2.135 -5.751 1.00 0.00 C ATOM 1810 CG LEU A 117 9.083 2.919 -5.839 1.00 0.00 C ATOM 1811 CD1 LEU A 117 9.992 2.322 -6.903 1.00 0.00 C ATOM 1812 CD2 LEU A 117 8.808 4.386 -6.132 1.00 0.00 C ATOM 0 H LEU A 117 5.202 1.218 -6.150 1.00 0.00 H new ATOM 0 HA LEU A 117 6.978 3.215 -7.431 1.00 0.00 H new ATOM 0 HB2 LEU A 117 7.228 2.475 -4.870 1.00 0.00 H new ATOM 0 HB3 LEU A 117 8.012 1.084 -5.592 1.00 0.00 H new ATOM 0 HG LEU A 117 9.590 2.850 -4.877 1.00 0.00 H new ATOM 0 HD11 LEU A 117 10.919 2.893 -6.951 1.00 0.00 H new ATOM 0 HD12 LEU A 117 10.217 1.286 -6.650 1.00 0.00 H new ATOM 0 HD13 LEU A 117 9.492 2.359 -7.871 1.00 0.00 H new ATOM 0 HD21 LEU A 117 9.752 4.928 -6.191 1.00 0.00 H new ATOM 0 HD22 LEU A 117 8.279 4.475 -7.081 1.00 0.00 H new ATOM 0 HD23 LEU A 117 8.196 4.808 -5.334 1.00 0.00 H new ATOM 1824 N ASP A 118 7.452 1.583 -9.216 1.00 0.00 N ATOM 1825 CA ASP A 118 7.804 0.654 -10.283 1.00 0.00 C ATOM 1826 C ASP A 118 9.197 0.073 -10.060 1.00 0.00 C ATOM 1827 O ASP A 118 9.437 -1.106 -10.323 1.00 0.00 O ATOM 1828 CB ASP A 118 7.742 1.356 -11.641 1.00 0.00 C ATOM 1829 CG ASP A 118 8.211 2.797 -11.569 1.00 0.00 C ATOM 1830 OD1 ASP A 118 7.535 3.607 -10.902 1.00 0.00 O ATOM 1831 OD2 ASP A 118 9.252 3.113 -12.182 1.00 0.00 O ATOM 0 H ASP A 118 7.421 2.562 -9.502 1.00 0.00 H new ATOM 0 HA ASP A 118 7.083 -0.163 -10.272 1.00 0.00 H new ATOM 0 HB2 ASP A 118 8.358 0.812 -12.357 1.00 0.00 H new ATOM 0 HB3 ASP A 118 6.719 1.328 -12.015 1.00 0.00 H new TER 1836 ASP A 118