USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 624 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 20 GLN : amide:sc= -4.45! C(o=-35!,f=-35!) USER MOD Set 1.2: A 21 ASN : amide:sc= -12.2! C(o=-35!,f=-41!) USER MOD Set 1.3: B 20 GLN : amide:sc= -2.51! C(o=-35!,f=-36!) USER MOD Set 1.4: B 21 ASN : amide:sc= -15.4! C(o=-35!,f=-36!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 91:sc= -0.184! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0669 X(o=-0.067,f=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc=-0.00148 X(o=-0.0015,f=0) USER MOD Single : A 26 ASN : amide:sc= -0.99 X(o=-0.99,f=-1.2) USER MOD Single : A 32 LYS NZ :NH3+ -172:sc= -0.14 (180deg=-0.235) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 SER OG : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot 50:sc= -0.0366 USER MOD Single : B 6 SER OG : rot 180:sc= -0.712 USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 SER OG : rot 180:sc= 0 USER MOD Single : B 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 22 TYR OH : rot 180:sc= 0 USER MOD Single : B 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 26 ASN : amide:sc= -0.926! X(o=-0.93!,f=-1) USER MOD Single : B 32 LYS NZ :NH3+ 174:sc= -6.16! (180deg=-6.43!) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.041 -14.479 0.342 1.00 0.00 N ATOM 2 CA GLY A 1 1.882 -14.931 -0.408 1.00 0.00 C ATOM 3 C GLY A 1 1.991 -14.530 -1.880 1.00 0.00 C ATOM 4 O GLY A 1 1.974 -15.386 -2.764 1.00 0.00 O ATOM 0 H1 GLY A 1 2.943 -14.763 1.338 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.901 -14.906 -0.057 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.110 -13.443 0.283 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.793 -16.014 -0.328 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.976 -14.504 0.023 1.00 0.00 H new ATOM 8 N ALA A 2 2.101 -13.228 -2.100 1.00 0.00 N ATOM 9 CA ALA A 2 2.213 -12.703 -3.450 1.00 0.00 C ATOM 10 C ALA A 2 3.618 -12.131 -3.655 1.00 0.00 C ATOM 11 O ALA A 2 3.790 -10.917 -3.749 1.00 0.00 O ATOM 12 CB ALA A 2 1.118 -11.659 -3.684 1.00 0.00 C ATOM 0 H ALA A 2 2.115 -12.521 -1.365 1.00 0.00 H new ATOM 0 HA ALA A 2 2.070 -13.496 -4.184 1.00 0.00 H new ATOM 0 HB1 ALA A 2 1.202 -11.265 -4.697 1.00 0.00 H new ATOM 0 HB2 ALA A 2 0.140 -12.122 -3.555 1.00 0.00 H new ATOM 0 HB3 ALA A 2 1.232 -10.846 -2.967 1.00 0.00 H new ATOM 18 N GLY A 3 4.586 -13.034 -3.718 1.00 0.00 N ATOM 19 CA GLY A 3 5.970 -12.634 -3.910 1.00 0.00 C ATOM 20 C GLY A 3 6.679 -13.569 -4.892 1.00 0.00 C ATOM 21 O GLY A 3 7.031 -14.694 -4.539 1.00 0.00 O ATOM 0 H GLY A 3 4.439 -14.040 -3.640 1.00 0.00 H new ATOM 0 HA2 GLY A 3 6.008 -11.611 -4.284 1.00 0.00 H new ATOM 0 HA3 GLY A 3 6.491 -12.643 -2.953 1.00 0.00 H new ATOM 25 N SER A 4 6.866 -13.070 -6.105 1.00 0.00 N ATOM 26 CA SER A 4 7.527 -13.847 -7.140 1.00 0.00 C ATOM 27 C SER A 4 7.937 -12.935 -8.298 1.00 0.00 C ATOM 28 O SER A 4 7.862 -11.711 -8.185 1.00 0.00 O ATOM 29 CB SER A 4 6.621 -14.972 -7.646 1.00 0.00 C ATOM 30 OG SER A 4 7.269 -16.241 -7.599 1.00 0.00 O ATOM 0 H SER A 4 6.571 -12.137 -6.394 1.00 0.00 H new ATOM 0 HA SER A 4 8.420 -14.301 -6.710 1.00 0.00 H new ATOM 0 HB2 SER A 4 5.714 -15.006 -7.043 1.00 0.00 H new ATOM 0 HB3 SER A 4 6.315 -14.759 -8.670 1.00 0.00 H new ATOM 0 HG SER A 4 6.658 -16.933 -7.928 1.00 0.00 H new ATOM 36 N SER A 5 8.363 -13.564 -9.382 1.00 0.00 N ATOM 37 CA SER A 5 8.786 -12.824 -10.559 1.00 0.00 C ATOM 38 C SER A 5 7.565 -12.398 -11.376 1.00 0.00 C ATOM 39 O SER A 5 6.483 -12.200 -10.827 1.00 0.00 O ATOM 40 CB SER A 5 9.738 -13.655 -11.421 1.00 0.00 C ATOM 41 OG SER A 5 10.633 -14.432 -10.630 1.00 0.00 O ATOM 0 H SER A 5 8.425 -14.578 -9.471 1.00 0.00 H new ATOM 0 HA SER A 5 9.323 -11.935 -10.228 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.159 -14.315 -12.068 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.310 -12.993 -12.071 1.00 0.00 H new ATOM 0 HG SER A 5 11.223 -14.950 -11.217 1.00 0.00 H new ATOM 47 N SER A 6 7.779 -12.269 -12.678 1.00 0.00 N ATOM 48 CA SER A 6 6.710 -11.871 -13.577 1.00 0.00 C ATOM 49 C SER A 6 6.589 -10.346 -13.603 1.00 0.00 C ATOM 50 O SER A 6 6.427 -9.714 -12.560 1.00 0.00 O ATOM 51 CB SER A 6 5.379 -12.502 -13.163 1.00 0.00 C ATOM 52 OG SER A 6 5.560 -13.763 -12.526 1.00 0.00 O ATOM 0 H SER A 6 8.678 -12.433 -13.131 1.00 0.00 H new ATOM 0 HA SER A 6 6.954 -12.227 -14.578 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.853 -11.827 -12.488 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.748 -12.628 -14.043 1.00 0.00 H new ATOM 0 HG SER A 6 5.637 -13.632 -11.558 1.00 0.00 H new ATOM 58 N LEU A 7 6.673 -9.799 -14.807 1.00 0.00 N ATOM 59 CA LEU A 7 6.576 -8.359 -14.982 1.00 0.00 C ATOM 60 C LEU A 7 5.102 -7.946 -14.955 1.00 0.00 C ATOM 61 O LEU A 7 4.760 -6.891 -14.423 1.00 0.00 O ATOM 62 CB LEU A 7 7.312 -7.923 -16.250 1.00 0.00 C ATOM 63 CG LEU A 7 8.040 -6.579 -16.173 1.00 0.00 C ATOM 64 CD1 LEU A 7 8.971 -6.528 -14.960 1.00 0.00 C ATOM 65 CD2 LEU A 7 8.782 -6.282 -17.478 1.00 0.00 C ATOM 0 H LEU A 7 6.807 -10.326 -15.670 1.00 0.00 H new ATOM 0 HA LEU A 7 7.070 -7.841 -14.160 1.00 0.00 H new ATOM 0 HB2 LEU A 7 8.039 -8.693 -16.508 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.592 -7.878 -17.067 1.00 0.00 H new ATOM 0 HG LEU A 7 7.295 -5.794 -16.040 1.00 0.00 H new ATOM 0 HD11 LEU A 7 9.476 -5.562 -14.929 1.00 0.00 H new ATOM 0 HD12 LEU A 7 8.389 -6.662 -14.048 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.713 -7.323 -15.037 1.00 0.00 H new ATOM 0 HD21 LEU A 7 9.291 -5.321 -17.397 1.00 0.00 H new ATOM 0 HD22 LEU A 7 9.515 -7.066 -17.666 1.00 0.00 H new ATOM 0 HD23 LEU A 7 8.069 -6.246 -18.302 1.00 0.00 H new ATOM 77 N GLU A 8 4.270 -8.798 -15.535 1.00 0.00 N ATOM 78 CA GLU A 8 2.842 -8.534 -15.584 1.00 0.00 C ATOM 79 C GLU A 8 2.210 -8.779 -14.212 1.00 0.00 C ATOM 80 O GLU A 8 1.382 -7.991 -13.757 1.00 0.00 O ATOM 81 CB GLU A 8 2.164 -9.383 -16.660 1.00 0.00 C ATOM 82 CG GLU A 8 2.892 -9.256 -18.000 1.00 0.00 C ATOM 83 CD GLU A 8 2.077 -8.421 -18.989 1.00 0.00 C ATOM 84 OE1 GLU A 8 2.297 -7.206 -19.103 1.00 0.00 O ATOM 85 OE2 GLU A 8 1.188 -9.078 -19.655 1.00 0.00 O ATOM 0 H GLU A 8 4.557 -9.672 -15.975 1.00 0.00 H new ATOM 0 HA GLU A 8 2.694 -7.487 -15.849 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.149 -10.427 -16.348 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.126 -9.070 -16.775 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.867 -8.794 -17.846 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.071 -10.247 -18.416 1.00 0.00 H new ATOM 93 N ALA A 9 2.625 -9.874 -13.592 1.00 0.00 N ATOM 94 CA ALA A 9 2.109 -10.233 -12.282 1.00 0.00 C ATOM 95 C ALA A 9 2.563 -9.191 -11.258 1.00 0.00 C ATOM 96 O ALA A 9 1.774 -8.754 -10.421 1.00 0.00 O ATOM 97 CB ALA A 9 2.571 -11.645 -11.920 1.00 0.00 C ATOM 0 H ALA A 9 3.313 -10.524 -13.973 1.00 0.00 H new ATOM 0 HA ALA A 9 1.019 -10.238 -12.287 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.184 -11.914 -10.937 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.199 -12.351 -12.662 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.660 -11.678 -11.902 1.00 0.00 H new ATOM 103 N VAL A 10 3.832 -8.823 -11.358 1.00 0.00 N ATOM 104 CA VAL A 10 4.400 -7.841 -10.450 1.00 0.00 C ATOM 105 C VAL A 10 3.891 -6.449 -10.828 1.00 0.00 C ATOM 106 O VAL A 10 3.820 -5.559 -9.982 1.00 0.00 O ATOM 107 CB VAL A 10 5.927 -7.943 -10.458 1.00 0.00 C ATOM 108 CG1 VAL A 10 6.553 -6.854 -9.584 1.00 0.00 C ATOM 109 CG2 VAL A 10 6.387 -9.333 -10.016 1.00 0.00 C ATOM 0 H VAL A 10 4.483 -9.187 -12.054 1.00 0.00 H new ATOM 0 HA VAL A 10 4.080 -8.037 -9.426 1.00 0.00 H new ATOM 0 HB VAL A 10 6.268 -7.789 -11.482 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.639 -6.949 -9.607 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.266 -5.873 -9.963 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.201 -6.963 -8.558 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.476 -9.378 -10.031 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.030 -9.530 -9.005 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.984 -10.083 -10.696 1.00 0.00 H new ATOM 119 N ARG A 11 3.550 -6.304 -12.100 1.00 0.00 N ATOM 120 CA ARG A 11 3.050 -5.035 -12.601 1.00 0.00 C ATOM 121 C ARG A 11 1.639 -4.773 -12.067 1.00 0.00 C ATOM 122 O ARG A 11 1.279 -3.630 -11.789 1.00 0.00 O ATOM 123 CB ARG A 11 3.019 -5.020 -14.131 1.00 0.00 C ATOM 124 CG ARG A 11 2.081 -3.928 -14.650 1.00 0.00 C ATOM 125 CD ARG A 11 2.556 -3.395 -16.003 1.00 0.00 C ATOM 126 NE ARG A 11 1.581 -3.752 -17.057 1.00 0.00 N ATOM 127 CZ ARG A 11 0.462 -3.046 -17.324 1.00 0.00 C ATOM 128 NH1 ARG A 11 0.167 -1.937 -16.614 1.00 0.00 N ATOM 129 NH2 ARG A 11 -0.339 -3.456 -18.290 1.00 0.00 N ATOM 0 H ARG A 11 3.610 -7.045 -12.799 1.00 0.00 H new ATOM 0 HA ARG A 11 3.725 -4.253 -12.255 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.025 -4.854 -14.517 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.692 -5.992 -14.501 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.071 -4.327 -14.746 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.034 -3.111 -13.930 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.673 -2.312 -15.956 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.534 -3.811 -16.244 1.00 0.00 H new ATOM 0 HE ARG A 11 1.766 -4.584 -17.617 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.792 -1.627 -15.870 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.681 -1.409 -16.822 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.108 -4.295 -18.822 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.189 -2.934 -18.504 1.00 0.00 H new ATOM 142 N ARG A 12 0.879 -5.850 -11.941 1.00 0.00 N ATOM 143 CA ARG A 12 -0.483 -5.751 -11.447 1.00 0.00 C ATOM 144 C ARG A 12 -0.487 -5.632 -9.921 1.00 0.00 C ATOM 145 O ARG A 12 -1.331 -4.941 -9.351 1.00 0.00 O ATOM 146 CB ARG A 12 -1.309 -6.972 -11.857 1.00 0.00 C ATOM 147 CG ARG A 12 -2.786 -6.778 -11.510 1.00 0.00 C ATOM 148 CD ARG A 12 -3.385 -8.058 -10.924 1.00 0.00 C ATOM 149 NE ARG A 12 -4.731 -7.783 -10.376 1.00 0.00 N ATOM 150 CZ ARG A 12 -5.569 -8.734 -9.910 1.00 0.00 C ATOM 151 NH1 ARG A 12 -5.203 -10.033 -9.920 1.00 0.00 N ATOM 152 NH2 ARG A 12 -6.750 -8.375 -9.443 1.00 0.00 N ATOM 0 H ARG A 12 1.181 -6.796 -12.173 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.930 -4.859 -11.887 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -1.203 -7.144 -12.928 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.927 -7.860 -11.353 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.891 -5.963 -10.794 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.338 -6.490 -12.404 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.447 -8.826 -11.695 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.736 -8.446 -10.139 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.046 -6.813 -10.348 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.288 -10.302 -10.281 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.841 -10.745 -9.566 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.019 -7.391 -9.438 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.394 -9.082 -9.088 1.00 0.00 H new ATOM 165 N LYS A 13 0.466 -6.314 -9.304 1.00 0.00 N ATOM 166 CA LYS A 13 0.584 -6.293 -7.856 1.00 0.00 C ATOM 167 C LYS A 13 1.165 -4.949 -7.415 1.00 0.00 C ATOM 168 O LYS A 13 0.737 -4.383 -6.411 1.00 0.00 O ATOM 169 CB LYS A 13 1.385 -7.501 -7.366 1.00 0.00 C ATOM 170 CG LYS A 13 0.731 -8.130 -6.134 1.00 0.00 C ATOM 171 CD LYS A 13 -0.500 -8.951 -6.527 1.00 0.00 C ATOM 172 CE LYS A 13 -0.093 -10.300 -7.121 1.00 0.00 C ATOM 173 NZ LYS A 13 -1.284 -11.041 -7.591 1.00 0.00 N ATOM 0 H LYS A 13 1.164 -6.885 -9.780 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.398 -6.383 -7.392 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.456 -8.242 -8.162 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.403 -7.193 -7.125 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.451 -8.769 -5.622 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.442 -7.348 -5.432 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.130 -9.110 -5.652 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.096 -8.396 -7.251 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.597 -10.145 -7.951 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.436 -10.889 -6.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.989 -11.954 -7.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.928 -11.205 -6.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.773 -10.485 -8.321 1.00 0.00 H new ATOM 186 N ILE A 14 2.133 -4.477 -8.188 1.00 0.00 N ATOM 187 CA ILE A 14 2.778 -3.210 -7.891 1.00 0.00 C ATOM 188 C ILE A 14 1.767 -2.075 -8.062 1.00 0.00 C ATOM 189 O ILE A 14 1.545 -1.292 -7.139 1.00 0.00 O ATOM 190 CB ILE A 14 4.043 -3.040 -8.736 1.00 0.00 C ATOM 191 CG1 ILE A 14 4.951 -1.957 -8.152 1.00 0.00 C ATOM 192 CG2 ILE A 14 3.690 -2.767 -10.199 1.00 0.00 C ATOM 193 CD1 ILE A 14 4.455 -0.561 -8.536 1.00 0.00 C ATOM 0 H ILE A 14 2.486 -4.950 -9.020 1.00 0.00 H new ATOM 0 HA ILE A 14 3.111 -3.187 -6.853 1.00 0.00 H new ATOM 0 HB ILE A 14 4.602 -3.975 -8.709 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.982 -2.050 -7.066 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.970 -2.097 -8.514 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.606 -2.650 -10.779 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.113 -3.602 -10.596 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.099 -1.854 -10.266 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.118 0.191 -8.108 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.448 -0.463 -9.622 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.445 -0.415 -8.152 1.00 0.00 H new ATOM 205 N ARG A 15 1.181 -2.021 -9.248 1.00 0.00 N ATOM 206 CA ARG A 15 0.198 -0.995 -9.552 1.00 0.00 C ATOM 207 C ARG A 15 -0.962 -1.060 -8.556 1.00 0.00 C ATOM 208 O ARG A 15 -1.396 -0.032 -8.037 1.00 0.00 O ATOM 209 CB ARG A 15 -0.349 -1.160 -10.972 1.00 0.00 C ATOM 210 CG ARG A 15 -1.227 0.031 -11.362 1.00 0.00 C ATOM 211 CD ARG A 15 -2.547 -0.439 -11.977 1.00 0.00 C ATOM 212 NE ARG A 15 -3.021 0.547 -12.973 1.00 0.00 N ATOM 213 CZ ARG A 15 -2.347 0.871 -14.097 1.00 0.00 C ATOM 214 NH1 ARG A 15 -1.162 0.288 -14.378 1.00 0.00 N ATOM 215 NH2 ARG A 15 -2.864 1.766 -14.918 1.00 0.00 N ATOM 0 H ARG A 15 1.368 -2.672 -10.011 1.00 0.00 H new ATOM 0 HA ARG A 15 0.694 -0.027 -9.476 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.478 -1.253 -11.676 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.928 -2.081 -11.038 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.429 0.642 -10.482 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.695 0.662 -12.073 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.411 -1.411 -12.452 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.296 -0.568 -11.196 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.913 1.011 -12.800 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.769 -0.403 -13.739 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -0.659 0.539 -15.229 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.760 2.202 -14.699 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.368 2.022 -15.771 1.00 0.00 H new ATOM 228 N SER A 16 -1.429 -2.276 -8.319 1.00 0.00 N ATOM 229 CA SER A 16 -2.530 -2.487 -7.393 1.00 0.00 C ATOM 230 C SER A 16 -2.149 -1.979 -6.002 1.00 0.00 C ATOM 231 O SER A 16 -2.848 -1.144 -5.428 1.00 0.00 O ATOM 232 CB SER A 16 -2.920 -3.965 -7.330 1.00 0.00 C ATOM 233 OG SER A 16 -3.876 -4.221 -6.304 1.00 0.00 O ATOM 0 H SER A 16 -1.066 -3.126 -8.751 1.00 0.00 H new ATOM 0 HA SER A 16 -3.392 -1.926 -7.753 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.329 -4.273 -8.292 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.029 -4.568 -7.154 1.00 0.00 H new ATOM 0 HG SER A 16 -4.101 -5.175 -6.297 1.00 0.00 H new ATOM 239 N LEU A 17 -1.040 -2.503 -5.498 1.00 0.00 N ATOM 240 CA LEU A 17 -0.558 -2.113 -4.184 1.00 0.00 C ATOM 241 C LEU A 17 -0.422 -0.591 -4.127 1.00 0.00 C ATOM 242 O LEU A 17 -0.766 0.030 -3.123 1.00 0.00 O ATOM 243 CB LEU A 17 0.734 -2.858 -3.845 1.00 0.00 C ATOM 244 CG LEU A 17 0.589 -4.356 -3.561 1.00 0.00 C ATOM 245 CD1 LEU A 17 1.960 -5.025 -3.444 1.00 0.00 C ATOM 246 CD2 LEU A 17 -0.276 -4.598 -2.324 1.00 0.00 C ATOM 0 H LEU A 17 -0.462 -3.194 -5.976 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.275 -2.399 -3.415 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.431 -2.731 -4.673 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.185 -2.385 -2.973 1.00 0.00 H new ATOM 0 HG LEU A 17 0.077 -4.817 -4.405 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.830 -6.088 -3.242 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.508 -4.897 -4.377 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.520 -4.567 -2.629 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.363 -5.670 -2.145 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.185 -4.122 -1.459 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.268 -4.176 -2.485 1.00 0.00 H new ATOM 258 N GLN A 18 0.080 -0.032 -5.219 1.00 0.00 N ATOM 259 CA GLN A 18 0.267 1.407 -5.306 1.00 0.00 C ATOM 260 C GLN A 18 -1.051 2.131 -5.017 1.00 0.00 C ATOM 261 O GLN A 18 -1.085 3.071 -4.224 1.00 0.00 O ATOM 262 CB GLN A 18 0.822 1.806 -6.674 1.00 0.00 C ATOM 263 CG GLN A 18 0.999 3.323 -6.772 1.00 0.00 C ATOM 264 CD GLN A 18 0.274 3.881 -7.999 1.00 0.00 C ATOM 265 OE1 GLN A 18 -0.560 4.768 -7.908 1.00 0.00 O ATOM 266 NE2 GLN A 18 0.636 3.315 -9.146 1.00 0.00 N ATOM 0 H GLN A 18 0.363 -0.550 -6.051 1.00 0.00 H new ATOM 0 HA GLN A 18 0.997 1.705 -4.553 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.780 1.313 -6.840 1.00 0.00 H new ATOM 0 HB3 GLN A 18 0.147 1.463 -7.458 1.00 0.00 H new ATOM 0 HG2 GLN A 18 0.612 3.797 -5.870 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.060 3.566 -6.830 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.341 2.577 -9.151 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.209 3.618 -10.021 1.00 0.00 H new ATOM 275 N GLU A 19 -2.102 1.664 -5.675 1.00 0.00 N ATOM 276 CA GLU A 19 -3.418 2.255 -5.499 1.00 0.00 C ATOM 277 C GLU A 19 -3.862 2.136 -4.039 1.00 0.00 C ATOM 278 O GLU A 19 -4.442 3.068 -3.485 1.00 0.00 O ATOM 279 CB GLU A 19 -4.438 1.611 -6.437 1.00 0.00 C ATOM 280 CG GLU A 19 -4.282 2.139 -7.864 1.00 0.00 C ATOM 281 CD GLU A 19 -5.588 2.759 -8.367 1.00 0.00 C ATOM 282 OE1 GLU A 19 -6.318 2.123 -9.141 1.00 0.00 O ATOM 283 OE2 GLU A 19 -5.835 3.945 -7.922 1.00 0.00 O ATOM 0 H GLU A 19 -2.069 0.883 -6.331 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.357 3.313 -5.755 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.311 0.529 -6.430 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.447 1.815 -6.078 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.487 2.884 -7.895 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.983 1.326 -8.526 1.00 0.00 H new ATOM 291 N GLN A 20 -3.574 0.980 -3.460 1.00 0.00 N ATOM 292 CA GLN A 20 -3.936 0.727 -2.075 1.00 0.00 C ATOM 293 C GLN A 20 -3.076 1.575 -1.137 1.00 0.00 C ATOM 294 O GLN A 20 -3.529 1.975 -0.066 1.00 0.00 O ATOM 295 CB GLN A 20 -3.811 -0.761 -1.739 1.00 0.00 C ATOM 296 CG GLN A 20 -3.615 -0.969 -0.236 1.00 0.00 C ATOM 297 CD GLN A 20 -3.895 -2.421 0.157 1.00 0.00 C ATOM 298 OE1 GLN A 20 -4.529 -3.175 -0.562 1.00 0.00 O ATOM 299 NE2 GLN A 20 -3.389 -2.769 1.337 1.00 0.00 N ATOM 0 H GLN A 20 -3.095 0.208 -3.924 1.00 0.00 H new ATOM 0 HA GLN A 20 -4.979 1.011 -1.935 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.706 -1.288 -2.069 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -2.969 -1.191 -2.282 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.595 -0.703 0.042 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.279 -0.304 0.317 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.868 -2.088 1.889 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.522 -3.717 1.690 1.00 0.00 H new ATOM 308 N ASN A 21 -1.850 1.824 -1.573 1.00 0.00 N ATOM 309 CA ASN A 21 -0.922 2.618 -0.786 1.00 0.00 C ATOM 310 C ASN A 21 -1.485 4.031 -0.614 1.00 0.00 C ATOM 311 O ASN A 21 -1.509 4.563 0.495 1.00 0.00 O ATOM 312 CB ASN A 21 0.435 2.732 -1.483 1.00 0.00 C ATOM 313 CG ASN A 21 1.381 1.620 -1.024 1.00 0.00 C ATOM 314 OD1 ASN A 21 2.304 1.833 -0.256 1.00 0.00 O ATOM 315 ND2 ASN A 21 1.101 0.426 -1.537 1.00 0.00 N ATOM 0 H ASN A 21 -1.478 1.490 -2.462 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.792 2.126 0.178 1.00 0.00 H new ATOM 0 HB2 ASN A 21 0.299 2.676 -2.563 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.878 3.704 -1.267 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.675 -0.381 -1.293 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.313 0.317 -2.175 1.00 0.00 H new ATOM 322 N TYR A 22 -1.925 4.598 -1.727 1.00 0.00 N ATOM 323 CA TYR A 22 -2.485 5.939 -1.714 1.00 0.00 C ATOM 324 C TYR A 22 -3.921 5.927 -1.186 1.00 0.00 C ATOM 325 O TYR A 22 -4.417 6.944 -0.705 1.00 0.00 O ATOM 326 CB TYR A 22 -2.495 6.406 -3.170 1.00 0.00 C ATOM 327 CG TYR A 22 -1.293 7.273 -3.552 1.00 0.00 C ATOM 328 CD1 TYR A 22 -0.089 6.680 -3.876 1.00 0.00 C ATOM 329 CD2 TYR A 22 -1.413 8.648 -3.576 1.00 0.00 C ATOM 330 CE1 TYR A 22 1.042 7.496 -4.236 1.00 0.00 C ATOM 331 CE2 TYR A 22 -0.282 9.464 -3.935 1.00 0.00 C ATOM 332 CZ TYR A 22 0.889 8.848 -4.247 1.00 0.00 C ATOM 333 OH TYR A 22 1.957 9.618 -4.588 1.00 0.00 O ATOM 0 H TYR A 22 -1.905 4.153 -2.645 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.899 6.594 -1.069 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.522 5.532 -3.821 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -3.410 6.969 -3.354 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.005 5.604 -3.860 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.356 9.112 -3.325 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.990 7.045 -4.491 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -0.362 10.541 -3.956 1.00 0.00 H new ATOM 0 HH TYR A 22 1.703 10.564 -4.554 1.00 0.00 H new ATOM 343 N HIS A 23 -4.547 4.764 -1.293 1.00 0.00 N ATOM 344 CA HIS A 23 -5.917 4.606 -0.832 1.00 0.00 C ATOM 345 C HIS A 23 -5.935 4.501 0.694 1.00 0.00 C ATOM 346 O HIS A 23 -6.795 5.087 1.351 1.00 0.00 O ATOM 347 CB HIS A 23 -6.586 3.413 -1.517 1.00 0.00 C ATOM 348 CG HIS A 23 -8.057 3.273 -1.204 1.00 0.00 C ATOM 349 ND1 HIS A 23 -8.684 2.043 -1.085 1.00 0.00 N ATOM 350 CD2 HIS A 23 -9.017 4.216 -0.987 1.00 0.00 C ATOM 351 CE1 HIS A 23 -9.963 2.252 -0.810 1.00 0.00 C ATOM 352 NE2 HIS A 23 -10.168 3.599 -0.751 1.00 0.00 N ATOM 0 H HIS A 23 -4.131 3.922 -1.692 1.00 0.00 H new ATOM 0 HA HIS A 23 -6.502 5.483 -1.108 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -6.462 3.509 -2.596 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -6.072 2.500 -1.217 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.866 5.285 -1.004 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -10.712 1.489 -0.659 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -11.059 4.057 -0.557 1.00 0.00 H new ATOM 360 N LEU A 24 -4.977 3.749 1.216 1.00 0.00 N ATOM 361 CA LEU A 24 -4.872 3.559 2.653 1.00 0.00 C ATOM 362 C LEU A 24 -4.200 4.784 3.277 1.00 0.00 C ATOM 363 O LEU A 24 -4.473 5.128 4.426 1.00 0.00 O ATOM 364 CB LEU A 24 -4.163 2.241 2.969 1.00 0.00 C ATOM 365 CG LEU A 24 -5.071 1.046 3.268 1.00 0.00 C ATOM 366 CD1 LEU A 24 -5.830 0.606 2.015 1.00 0.00 C ATOM 367 CD2 LEU A 24 -4.276 -0.104 3.889 1.00 0.00 C ATOM 0 H LEU A 24 -4.266 3.264 0.669 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.863 3.476 3.100 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.523 1.984 2.125 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.510 2.399 3.827 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.815 1.358 4.002 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.468 -0.245 2.256 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.445 1.430 1.654 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.119 0.318 1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.945 -0.941 4.092 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.496 -0.422 3.197 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.820 0.230 4.821 1.00 0.00 H new ATOM 379 N GLU A 25 -3.335 5.409 2.492 1.00 0.00 N ATOM 380 CA GLU A 25 -2.621 6.587 2.953 1.00 0.00 C ATOM 381 C GLU A 25 -3.583 7.769 3.090 1.00 0.00 C ATOM 382 O GLU A 25 -3.532 8.506 4.074 1.00 0.00 O ATOM 383 CB GLU A 25 -1.462 6.930 2.015 1.00 0.00 C ATOM 384 CG GLU A 25 -0.844 8.281 2.378 1.00 0.00 C ATOM 385 CD GLU A 25 0.266 8.658 1.394 1.00 0.00 C ATOM 386 OE1 GLU A 25 0.871 7.772 0.774 1.00 0.00 O ATOM 387 OE2 GLU A 25 0.491 9.924 1.285 1.00 0.00 O ATOM 0 H GLU A 25 -3.112 5.121 1.539 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.198 6.370 3.934 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.701 6.151 2.071 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.818 6.954 0.985 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.616 9.051 2.374 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.440 8.240 3.390 1.00 0.00 H new ATOM 395 N ASN A 26 -4.438 7.915 2.090 1.00 0.00 N ATOM 396 CA ASN A 26 -5.410 8.995 2.085 1.00 0.00 C ATOM 397 C ASN A 26 -6.599 8.609 2.968 1.00 0.00 C ATOM 398 O ASN A 26 -7.289 9.476 3.501 1.00 0.00 O ATOM 399 CB ASN A 26 -5.936 9.258 0.674 1.00 0.00 C ATOM 400 CG ASN A 26 -4.835 9.825 -0.225 1.00 0.00 C ATOM 401 OD1 ASN A 26 -3.969 10.568 0.206 1.00 0.00 O ATOM 402 ND2 ASN A 26 -4.917 9.436 -1.494 1.00 0.00 N ATOM 0 H ASN A 26 -4.478 7.302 1.276 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.917 9.893 2.459 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.319 8.331 0.246 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.771 9.957 0.718 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.229 9.762 -2.173 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -5.668 8.812 -1.789 1.00 0.00 H new ATOM 409 N GLU A 27 -6.802 7.306 3.096 1.00 0.00 N ATOM 410 CA GLU A 27 -7.895 6.793 3.904 1.00 0.00 C ATOM 411 C GLU A 27 -7.560 6.920 5.392 1.00 0.00 C ATOM 412 O GLU A 27 -8.421 7.267 6.198 1.00 0.00 O ATOM 413 CB GLU A 27 -8.217 5.343 3.536 1.00 0.00 C ATOM 414 CG GLU A 27 -9.219 4.737 4.521 1.00 0.00 C ATOM 415 CD GLU A 27 -9.515 3.277 4.173 1.00 0.00 C ATOM 416 OE1 GLU A 27 -8.890 2.367 4.738 1.00 0.00 O ATOM 417 OE2 GLU A 27 -10.431 3.104 3.282 1.00 0.00 O ATOM 0 H GLU A 27 -6.227 6.589 2.653 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.783 7.390 3.699 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.625 5.302 2.526 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.301 4.752 3.534 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.822 4.800 5.534 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.144 5.313 4.505 1.00 0.00 H new ATOM 425 N VAL A 28 -6.306 6.633 5.710 1.00 0.00 N ATOM 426 CA VAL A 28 -5.847 6.711 7.085 1.00 0.00 C ATOM 427 C VAL A 28 -5.669 8.179 7.478 1.00 0.00 C ATOM 428 O VAL A 28 -6.130 8.603 8.537 1.00 0.00 O ATOM 429 CB VAL A 28 -4.567 5.889 7.258 1.00 0.00 C ATOM 430 CG1 VAL A 28 -3.332 6.710 6.881 1.00 0.00 C ATOM 431 CG2 VAL A 28 -4.453 5.346 8.684 1.00 0.00 C ATOM 0 H VAL A 28 -5.594 6.346 5.038 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.589 6.281 7.758 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.621 5.038 6.580 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.437 6.102 7.013 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.407 7.023 5.840 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.271 7.590 7.521 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.535 4.766 8.780 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.433 6.177 9.389 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.310 4.708 8.900 1.00 0.00 H new ATOM 441 N ALA A 29 -5.002 8.916 6.601 1.00 0.00 N ATOM 442 CA ALA A 29 -4.759 10.328 6.842 1.00 0.00 C ATOM 443 C ALA A 29 -6.097 11.047 7.032 1.00 0.00 C ATOM 444 O ALA A 29 -6.271 11.797 7.992 1.00 0.00 O ATOM 445 CB ALA A 29 -3.943 10.911 5.686 1.00 0.00 C ATOM 0 H ALA A 29 -4.623 8.562 5.723 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.178 10.467 7.754 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.761 11.970 5.867 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.990 10.386 5.612 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.496 10.792 4.754 1.00 0.00 H new ATOM 451 N ARG A 30 -7.005 10.792 6.103 1.00 0.00 N ATOM 452 CA ARG A 30 -8.322 11.405 6.156 1.00 0.00 C ATOM 453 C ARG A 30 -9.072 10.944 7.407 1.00 0.00 C ATOM 454 O ARG A 30 -9.824 11.713 8.003 1.00 0.00 O ATOM 455 CB ARG A 30 -9.145 11.050 4.916 1.00 0.00 C ATOM 456 CG ARG A 30 -9.651 9.609 4.988 1.00 0.00 C ATOM 457 CD ARG A 30 -10.617 9.309 3.839 1.00 0.00 C ATOM 458 NE ARG A 30 -11.163 7.940 3.981 1.00 0.00 N ATOM 459 CZ ARG A 30 -12.259 7.492 3.332 1.00 0.00 C ATOM 460 NH1 ARG A 30 -12.936 8.301 2.490 1.00 0.00 N ATOM 461 NH2 ARG A 30 -12.657 6.250 3.534 1.00 0.00 N ATOM 0 H ARG A 30 -6.856 10.169 5.309 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.184 12.486 6.189 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.991 11.732 4.829 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.536 11.181 4.021 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.807 8.921 4.947 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.152 9.443 5.942 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.430 10.035 3.837 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.101 9.406 2.884 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.681 7.295 4.608 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -12.621 9.259 2.340 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -13.763 7.954 2.004 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -12.139 5.646 4.172 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -13.483 5.894 3.052 1.00 0.00 H new ATOM 474 N LEU A 31 -8.842 9.689 7.767 1.00 0.00 N ATOM 475 CA LEU A 31 -9.487 9.116 8.936 1.00 0.00 C ATOM 476 C LEU A 31 -9.097 9.923 10.175 1.00 0.00 C ATOM 477 O LEU A 31 -9.945 10.558 10.799 1.00 0.00 O ATOM 478 CB LEU A 31 -9.166 7.624 9.047 1.00 0.00 C ATOM 479 CG LEU A 31 -9.949 6.847 10.109 1.00 0.00 C ATOM 480 CD1 LEU A 31 -11.115 7.678 10.648 1.00 0.00 C ATOM 481 CD2 LEU A 31 -10.411 5.494 9.567 1.00 0.00 C ATOM 0 H LEU A 31 -8.218 9.054 7.270 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.571 9.179 8.843 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.348 7.160 8.078 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.102 7.516 9.257 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.282 6.647 10.948 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.654 7.103 11.401 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.732 8.594 11.097 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -11.791 7.930 9.831 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -10.965 4.962 10.341 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -11.055 5.649 8.702 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.543 4.905 9.272 1.00 0.00 H new ATOM 493 N LYS A 32 -7.812 9.872 10.496 1.00 0.00 N ATOM 494 CA LYS A 32 -7.299 10.590 11.650 1.00 0.00 C ATOM 495 C LYS A 32 -7.803 12.034 11.612 1.00 0.00 C ATOM 496 O LYS A 32 -8.101 12.619 12.652 1.00 0.00 O ATOM 497 CB LYS A 32 -5.775 10.473 11.720 1.00 0.00 C ATOM 498 CG LYS A 32 -5.132 10.876 10.392 1.00 0.00 C ATOM 499 CD LYS A 32 -3.670 10.428 10.331 1.00 0.00 C ATOM 500 CE LYS A 32 -3.570 8.923 10.078 1.00 0.00 C ATOM 501 NZ LYS A 32 -2.747 8.275 11.125 1.00 0.00 N ATOM 0 H LYS A 32 -7.111 9.344 9.976 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.673 10.145 12.572 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.394 11.108 12.520 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.496 9.448 11.967 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.687 10.431 9.566 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.190 11.958 10.269 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.153 10.969 9.539 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.170 10.677 11.267 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.567 8.483 10.067 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.130 8.741 9.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.576 7.282 10.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.838 8.773 11.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.249 8.315 12.035 1.00 0.00 H new ATOM 514 N LYS A 33 -7.883 12.568 10.401 1.00 0.00 N ATOM 515 CA LYS A 33 -8.346 13.932 10.214 1.00 0.00 C ATOM 516 C LYS A 33 -9.813 14.031 10.634 1.00 0.00 C ATOM 517 O LYS A 33 -10.138 14.695 11.618 1.00 0.00 O ATOM 518 CB LYS A 33 -8.085 14.395 8.779 1.00 0.00 C ATOM 519 CG LYS A 33 -8.411 15.881 8.613 1.00 0.00 C ATOM 520 CD LYS A 33 -7.989 16.383 7.231 1.00 0.00 C ATOM 521 CE LYS A 33 -7.028 17.567 7.348 1.00 0.00 C ATOM 522 NZ LYS A 33 -7.468 18.680 6.478 1.00 0.00 N ATOM 0 H LYS A 33 -7.635 12.080 9.540 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.785 14.615 10.852 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.041 14.217 8.520 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.689 13.807 8.088 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.480 16.040 8.751 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.901 16.457 9.385 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.511 15.575 6.677 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.871 16.680 6.663 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.981 17.904 8.384 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.022 17.255 7.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.804 19.476 6.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.490 18.360 5.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.419 18.988 6.763 1.00 0.00 H new ATOM 535 N LEU A 34 -10.662 13.359 9.869 1.00 0.00 N ATOM 536 CA LEU A 34 -12.087 13.363 10.150 1.00 0.00 C ATOM 537 C LEU A 34 -12.310 13.091 11.639 1.00 0.00 C ATOM 538 O LEU A 34 -13.026 13.832 12.309 1.00 0.00 O ATOM 539 CB LEU A 34 -12.816 12.382 9.230 1.00 0.00 C ATOM 540 CG LEU A 34 -13.897 12.985 8.329 1.00 0.00 C ATOM 541 CD1 LEU A 34 -13.443 13.002 6.868 1.00 0.00 C ATOM 542 CD2 LEU A 34 -15.229 12.254 8.507 1.00 0.00 C ATOM 0 H LEU A 34 -10.389 12.808 9.055 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.515 14.343 9.937 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -12.077 11.890 8.598 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -13.274 11.609 9.846 1.00 0.00 H new ATOM 0 HG LEU A 34 -14.056 14.021 8.630 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -14.228 13.435 6.248 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -12.536 13.600 6.776 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -13.241 11.983 6.538 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -15.980 12.702 7.856 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -15.105 11.203 8.248 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -15.553 12.336 9.544 1.00 0.00 H new ATOM 554 N VAL A 35 -11.681 12.026 12.114 1.00 0.00 N ATOM 555 CA VAL A 35 -11.801 11.646 13.512 1.00 0.00 C ATOM 556 C VAL A 35 -11.514 12.864 14.393 1.00 0.00 C ATOM 557 O VAL A 35 -12.413 13.382 15.054 1.00 0.00 O ATOM 558 CB VAL A 35 -10.883 10.461 13.813 1.00 0.00 C ATOM 559 CG1 VAL A 35 -10.442 10.467 15.279 1.00 0.00 C ATOM 560 CG2 VAL A 35 -11.559 9.137 13.450 1.00 0.00 C ATOM 0 H VAL A 35 -11.086 11.414 11.555 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.816 11.317 13.733 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.992 10.563 13.194 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.790 9.614 15.466 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -9.903 11.390 15.493 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.319 10.402 15.923 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.884 8.311 13.674 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -12.475 9.025 14.030 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -11.800 9.131 12.387 1.00 0.00 H new ATOM 570 N GLY A 36 -10.258 13.286 14.372 1.00 0.00 N ATOM 571 CA GLY A 36 -9.841 14.433 15.161 1.00 0.00 C ATOM 572 C GLY A 36 -10.704 14.579 16.415 1.00 0.00 C ATOM 573 O GLY A 36 -11.107 15.686 16.771 1.00 0.00 O ATOM 0 H GLY A 36 -9.516 12.854 13.821 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.795 14.322 15.446 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.913 15.339 14.559 1.00 0.00 H new ATOM 577 N GLU A 37 -10.964 13.446 17.051 1.00 0.00 N ATOM 578 CA GLU A 37 -11.772 13.434 18.259 1.00 0.00 C ATOM 579 C GLU A 37 -10.950 13.922 19.453 1.00 0.00 C ATOM 580 O GLU A 37 -9.941 14.604 19.279 1.00 0.00 O ATOM 581 CB GLU A 37 -12.346 12.040 18.521 1.00 0.00 C ATOM 582 CG GLU A 37 -11.276 11.104 19.084 1.00 0.00 C ATOM 583 CD GLU A 37 -11.549 10.779 20.554 1.00 0.00 C ATOM 584 OE1 GLU A 37 -12.666 11.005 21.041 1.00 0.00 O ATOM 585 OE2 GLU A 37 -10.550 10.275 21.195 1.00 0.00 O ATOM 0 H GLU A 37 -10.629 12.530 16.753 1.00 0.00 H new ATOM 0 HA GLU A 37 -12.611 14.116 18.118 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -13.178 12.111 19.222 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.745 11.627 17.594 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.252 10.182 18.503 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.294 11.568 18.987 1.00 0.00 H new ATOM 593 N ARG A 38 -11.412 13.553 20.639 1.00 0.00 N ATOM 594 CA ARG A 38 -10.732 13.944 21.862 1.00 0.00 C ATOM 595 C ARG A 38 -9.218 13.968 21.642 1.00 0.00 C ATOM 596 O ARG A 38 -8.513 13.047 22.053 1.00 0.00 O ATOM 597 CB ARG A 38 -11.059 12.983 23.006 1.00 0.00 C ATOM 598 CG ARG A 38 -10.862 13.659 24.364 1.00 0.00 C ATOM 599 CD ARG A 38 -11.874 13.141 25.387 1.00 0.00 C ATOM 600 NE ARG A 38 -12.041 14.128 26.478 1.00 0.00 N ATOM 601 CZ ARG A 38 -13.004 14.057 27.422 1.00 0.00 C ATOM 602 NH1 ARG A 38 -13.896 13.043 27.416 1.00 0.00 N ATOM 603 NH2 ARG A 38 -13.061 14.993 28.351 1.00 0.00 N ATOM 0 H ARG A 38 -12.249 12.987 20.779 1.00 0.00 H new ATOM 0 HA ARG A 38 -11.080 14.941 22.131 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -12.089 12.639 22.913 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.421 12.102 22.939 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.850 13.474 24.723 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.969 14.738 24.256 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -12.833 12.957 24.902 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.536 12.189 25.795 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.388 14.910 26.519 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -13.845 12.323 26.695 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.620 12.997 28.133 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.384 15.756 28.349 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.782 14.954 29.071 1.00 0.00 H new TER 616 ARG A 38 ATOM 617 N GLY B 1 15.172 5.896 -22.522 1.00 0.00 N ATOM 618 CA GLY B 1 14.143 6.644 -21.824 1.00 0.00 C ATOM 619 C GLY B 1 12.810 6.575 -22.573 1.00 0.00 C ATOM 620 O GLY B 1 12.259 7.603 -22.964 1.00 0.00 O ATOM 0 H1 GLY B 1 16.066 5.959 -21.994 1.00 0.00 H new ATOM 0 H2 GLY B 1 14.885 4.899 -22.599 1.00 0.00 H new ATOM 0 H3 GLY B 1 15.304 6.293 -23.474 1.00 0.00 H new ATOM 0 HA2 GLY B 1 14.019 6.246 -20.817 1.00 0.00 H new ATOM 0 HA3 GLY B 1 14.452 7.684 -21.720 1.00 0.00 H new ATOM 624 N ALA B 2 12.331 5.353 -22.751 1.00 0.00 N ATOM 625 CA ALA B 2 11.074 5.136 -23.447 1.00 0.00 C ATOM 626 C ALA B 2 10.831 3.632 -23.597 1.00 0.00 C ATOM 627 O ALA B 2 11.587 2.944 -24.282 1.00 0.00 O ATOM 628 CB ALA B 2 11.105 5.858 -24.795 1.00 0.00 C ATOM 0 H ALA B 2 12.791 4.503 -22.425 1.00 0.00 H new ATOM 0 HA ALA B 2 10.243 5.549 -22.875 1.00 0.00 H new ATOM 0 HB1 ALA B 2 10.162 5.695 -25.317 1.00 0.00 H new ATOM 0 HB2 ALA B 2 11.250 6.926 -24.632 1.00 0.00 H new ATOM 0 HB3 ALA B 2 11.925 5.468 -25.398 1.00 0.00 H new ATOM 634 N GLY B 3 9.776 3.168 -22.945 1.00 0.00 N ATOM 635 CA GLY B 3 9.425 1.759 -22.997 1.00 0.00 C ATOM 636 C GLY B 3 9.153 1.209 -21.595 1.00 0.00 C ATOM 637 O GLY B 3 8.144 0.543 -21.370 1.00 0.00 O ATOM 0 H GLY B 3 9.153 3.742 -22.378 1.00 0.00 H new ATOM 0 HA2 GLY B 3 8.542 1.623 -23.622 1.00 0.00 H new ATOM 0 HA3 GLY B 3 10.234 1.196 -23.462 1.00 0.00 H new ATOM 641 N SER B 4 10.072 1.509 -20.689 1.00 0.00 N ATOM 642 CA SER B 4 9.944 1.055 -19.315 1.00 0.00 C ATOM 643 C SER B 4 10.053 -0.471 -19.257 1.00 0.00 C ATOM 644 O SER B 4 9.510 -1.169 -20.111 1.00 0.00 O ATOM 645 CB SER B 4 8.620 1.515 -18.702 1.00 0.00 C ATOM 646 OG SER B 4 8.815 2.470 -17.663 1.00 0.00 O ATOM 0 H SER B 4 10.908 2.061 -20.880 1.00 0.00 H new ATOM 0 HA SER B 4 10.754 1.495 -18.733 1.00 0.00 H new ATOM 0 HB2 SER B 4 7.992 1.949 -19.480 1.00 0.00 H new ATOM 0 HB3 SER B 4 8.085 0.652 -18.305 1.00 0.00 H new ATOM 0 HG SER B 4 7.946 2.740 -17.299 1.00 0.00 H new ATOM 652 N SER B 5 10.760 -0.943 -18.240 1.00 0.00 N ATOM 653 CA SER B 5 10.947 -2.372 -18.060 1.00 0.00 C ATOM 654 C SER B 5 12.042 -2.630 -17.022 1.00 0.00 C ATOM 655 O SER B 5 13.229 -2.499 -17.321 1.00 0.00 O ATOM 656 CB SER B 5 11.301 -3.053 -19.383 1.00 0.00 C ATOM 657 OG SER B 5 12.234 -2.290 -20.144 1.00 0.00 O ATOM 0 H SER B 5 11.210 -0.361 -17.533 1.00 0.00 H new ATOM 0 HA SER B 5 10.009 -2.797 -17.703 1.00 0.00 H new ATOM 0 HB2 SER B 5 11.718 -4.040 -19.182 1.00 0.00 H new ATOM 0 HB3 SER B 5 10.393 -3.203 -19.968 1.00 0.00 H new ATOM 0 HG SER B 5 12.993 -2.040 -19.576 1.00 0.00 H new ATOM 663 N SER B 6 11.605 -2.991 -15.824 1.00 0.00 N ATOM 664 CA SER B 6 12.533 -3.268 -14.741 1.00 0.00 C ATOM 665 C SER B 6 11.831 -4.067 -13.642 1.00 0.00 C ATOM 666 O SER B 6 10.921 -3.562 -12.988 1.00 0.00 O ATOM 667 CB SER B 6 13.113 -1.972 -14.168 1.00 0.00 C ATOM 668 OG SER B 6 13.070 -0.905 -15.111 1.00 0.00 O ATOM 0 H SER B 6 10.620 -3.098 -15.580 1.00 0.00 H new ATOM 0 HA SER B 6 13.358 -3.859 -15.140 1.00 0.00 H new ATOM 0 HB2 SER B 6 12.556 -1.689 -13.275 1.00 0.00 H new ATOM 0 HB3 SER B 6 14.145 -2.142 -13.860 1.00 0.00 H new ATOM 0 HG SER B 6 13.447 -0.096 -14.707 1.00 0.00 H new ATOM 674 N LEU B 7 12.282 -5.302 -13.473 1.00 0.00 N ATOM 675 CA LEU B 7 11.708 -6.176 -12.464 1.00 0.00 C ATOM 676 C LEU B 7 12.326 -5.851 -11.102 1.00 0.00 C ATOM 677 O LEU B 7 11.672 -5.992 -10.071 1.00 0.00 O ATOM 678 CB LEU B 7 11.863 -7.641 -12.874 1.00 0.00 C ATOM 679 CG LEU B 7 13.285 -8.100 -13.200 1.00 0.00 C ATOM 680 CD1 LEU B 7 13.560 -9.489 -12.620 1.00 0.00 C ATOM 681 CD2 LEU B 7 13.548 -8.048 -14.707 1.00 0.00 C ATOM 0 H LEU B 7 13.038 -5.718 -14.018 1.00 0.00 H new ATOM 0 HA LEU B 7 10.635 -6.004 -12.377 1.00 0.00 H new ATOM 0 HB2 LEU B 7 11.477 -8.266 -12.069 1.00 0.00 H new ATOM 0 HB3 LEU B 7 11.235 -7.822 -13.747 1.00 0.00 H new ATOM 0 HG LEU B 7 13.982 -7.408 -12.727 1.00 0.00 H new ATOM 0 HD11 LEU B 7 14.578 -9.791 -12.866 1.00 0.00 H new ATOM 0 HD12 LEU B 7 13.442 -9.461 -11.537 1.00 0.00 H new ATOM 0 HD13 LEU B 7 12.856 -10.206 -13.043 1.00 0.00 H new ATOM 0 HD21 LEU B 7 14.566 -8.380 -14.910 1.00 0.00 H new ATOM 0 HD22 LEU B 7 12.844 -8.702 -15.222 1.00 0.00 H new ATOM 0 HD23 LEU B 7 13.421 -7.026 -15.063 1.00 0.00 H new ATOM 693 N GLU B 8 13.579 -5.421 -11.144 1.00 0.00 N ATOM 694 CA GLU B 8 14.292 -5.075 -9.926 1.00 0.00 C ATOM 695 C GLU B 8 13.620 -3.886 -9.238 1.00 0.00 C ATOM 696 O GLU B 8 13.309 -3.946 -8.049 1.00 0.00 O ATOM 697 CB GLU B 8 15.764 -4.778 -10.219 1.00 0.00 C ATOM 698 CG GLU B 8 15.905 -3.808 -11.393 1.00 0.00 C ATOM 699 CD GLU B 8 16.387 -2.436 -10.916 1.00 0.00 C ATOM 700 OE1 GLU B 8 15.813 -1.871 -9.972 1.00 0.00 O ATOM 701 OE2 GLU B 8 17.396 -1.957 -11.560 1.00 0.00 O ATOM 0 H GLU B 8 14.118 -5.304 -12.002 1.00 0.00 H new ATOM 0 HA GLU B 8 14.255 -5.930 -9.250 1.00 0.00 H new ATOM 0 HB2 GLU B 8 16.236 -4.353 -9.333 1.00 0.00 H new ATOM 0 HB3 GLU B 8 16.288 -5.707 -10.445 1.00 0.00 H new ATOM 0 HG2 GLU B 8 16.609 -4.212 -12.121 1.00 0.00 H new ATOM 0 HG3 GLU B 8 14.946 -3.704 -11.901 1.00 0.00 H new ATOM 709 N ALA B 9 13.415 -2.832 -10.014 1.00 0.00 N ATOM 710 CA ALA B 9 12.785 -1.630 -9.493 1.00 0.00 C ATOM 711 C ALA B 9 11.330 -1.936 -9.135 1.00 0.00 C ATOM 712 O ALA B 9 10.867 -1.588 -8.049 1.00 0.00 O ATOM 713 CB ALA B 9 12.908 -0.503 -10.520 1.00 0.00 C ATOM 0 H ALA B 9 13.674 -2.785 -10.999 1.00 0.00 H new ATOM 0 HA ALA B 9 13.285 -1.298 -8.583 1.00 0.00 H new ATOM 0 HB1 ALA B 9 12.436 0.398 -10.129 1.00 0.00 H new ATOM 0 HB2 ALA B 9 13.961 -0.304 -10.718 1.00 0.00 H new ATOM 0 HB3 ALA B 9 12.415 -0.799 -11.446 1.00 0.00 H new ATOM 719 N VAL B 10 10.648 -2.584 -10.068 1.00 0.00 N ATOM 720 CA VAL B 10 9.254 -2.942 -9.865 1.00 0.00 C ATOM 721 C VAL B 10 9.150 -3.930 -8.701 1.00 0.00 C ATOM 722 O VAL B 10 8.124 -3.993 -8.026 1.00 0.00 O ATOM 723 CB VAL B 10 8.658 -3.485 -11.165 1.00 0.00 C ATOM 724 CG1 VAL B 10 7.279 -4.101 -10.920 1.00 0.00 C ATOM 725 CG2 VAL B 10 8.589 -2.392 -12.234 1.00 0.00 C ATOM 0 H VAL B 10 11.035 -2.871 -10.967 1.00 0.00 H new ATOM 0 HA VAL B 10 8.669 -2.062 -9.598 1.00 0.00 H new ATOM 0 HB VAL B 10 9.316 -4.272 -11.533 1.00 0.00 H new ATOM 0 HG11 VAL B 10 6.877 -4.479 -11.860 1.00 0.00 H new ATOM 0 HG12 VAL B 10 7.368 -4.921 -10.207 1.00 0.00 H new ATOM 0 HG13 VAL B 10 6.608 -3.342 -10.518 1.00 0.00 H new ATOM 0 HG21 VAL B 10 8.162 -2.804 -13.148 1.00 0.00 H new ATOM 0 HG22 VAL B 10 7.964 -1.574 -11.878 1.00 0.00 H new ATOM 0 HG23 VAL B 10 9.593 -2.019 -12.438 1.00 0.00 H new ATOM 735 N ARG B 11 10.226 -4.676 -8.503 1.00 0.00 N ATOM 736 CA ARG B 11 10.269 -5.659 -7.433 1.00 0.00 C ATOM 737 C ARG B 11 10.275 -4.960 -6.071 1.00 0.00 C ATOM 738 O ARG B 11 9.445 -5.257 -5.214 1.00 0.00 O ATOM 739 CB ARG B 11 11.511 -6.546 -7.548 1.00 0.00 C ATOM 740 CG ARG B 11 11.768 -7.301 -6.242 1.00 0.00 C ATOM 741 CD ARG B 11 13.085 -8.078 -6.310 1.00 0.00 C ATOM 742 NE ARG B 11 13.635 -8.260 -4.948 1.00 0.00 N ATOM 743 CZ ARG B 11 13.373 -9.326 -4.162 1.00 0.00 C ATOM 744 NH1 ARG B 11 12.566 -10.316 -4.597 1.00 0.00 N ATOM 745 NH2 ARG B 11 13.919 -9.385 -2.961 1.00 0.00 N ATOM 0 H ARG B 11 11.075 -4.620 -9.065 1.00 0.00 H new ATOM 0 HA ARG B 11 9.381 -6.284 -7.522 1.00 0.00 H new ATOM 0 HB2 ARG B 11 11.380 -7.257 -8.364 1.00 0.00 H new ATOM 0 HB3 ARG B 11 12.378 -5.934 -7.795 1.00 0.00 H new ATOM 0 HG2 ARG B 11 11.799 -6.597 -5.410 1.00 0.00 H new ATOM 0 HG3 ARG B 11 10.945 -7.989 -6.047 1.00 0.00 H new ATOM 0 HD2 ARG B 11 12.921 -9.049 -6.778 1.00 0.00 H new ATOM 0 HD3 ARG B 11 13.802 -7.542 -6.932 1.00 0.00 H new ATOM 0 HE ARG B 11 14.251 -7.535 -4.580 1.00 0.00 H new ATOM 0 HH11 ARG B 11 12.149 -10.263 -5.526 1.00 0.00 H new ATOM 0 HH12 ARG B 11 12.373 -11.118 -3.997 1.00 0.00 H new ATOM 0 HH21 ARG B 11 14.528 -8.632 -2.640 1.00 0.00 H new ATOM 0 HH22 ARG B 11 13.732 -10.183 -2.354 1.00 0.00 H new ATOM 758 N ARG B 12 11.221 -4.046 -5.915 1.00 0.00 N ATOM 759 CA ARG B 12 11.346 -3.302 -4.673 1.00 0.00 C ATOM 760 C ARG B 12 10.119 -2.414 -4.461 1.00 0.00 C ATOM 761 O ARG B 12 9.802 -2.047 -3.329 1.00 0.00 O ATOM 762 CB ARG B 12 12.603 -2.430 -4.677 1.00 0.00 C ATOM 763 CG ARG B 12 12.528 -1.364 -5.770 1.00 0.00 C ATOM 764 CD ARG B 12 13.358 -0.134 -5.396 1.00 0.00 C ATOM 765 NE ARG B 12 12.698 0.608 -4.299 1.00 0.00 N ATOM 766 CZ ARG B 12 13.001 1.878 -3.954 1.00 0.00 C ATOM 767 NH1 ARG B 12 13.959 2.558 -4.620 1.00 0.00 N ATOM 768 NH2 ARG B 12 12.348 2.443 -2.957 1.00 0.00 N ATOM 0 H ARG B 12 11.909 -3.804 -6.628 1.00 0.00 H new ATOM 0 HA ARG B 12 11.421 -4.024 -3.860 1.00 0.00 H new ATOM 0 HB2 ARG B 12 12.721 -1.951 -3.705 1.00 0.00 H new ATOM 0 HB3 ARG B 12 13.483 -3.055 -4.833 1.00 0.00 H new ATOM 0 HG2 ARG B 12 12.889 -1.778 -6.712 1.00 0.00 H new ATOM 0 HG3 ARG B 12 11.490 -1.072 -5.927 1.00 0.00 H new ATOM 0 HD2 ARG B 12 14.358 -0.440 -5.089 1.00 0.00 H new ATOM 0 HD3 ARG B 12 13.475 0.514 -6.265 1.00 0.00 H new ATOM 0 HE ARG B 12 11.968 0.130 -3.770 1.00 0.00 H new ATOM 0 HH11 ARG B 12 14.459 2.113 -5.389 1.00 0.00 H new ATOM 0 HH12 ARG B 12 14.182 3.517 -4.354 1.00 0.00 H new ATOM 0 HH21 ARG B 12 11.626 1.921 -2.459 1.00 0.00 H new ATOM 0 HH22 ARG B 12 12.565 3.402 -2.684 1.00 0.00 H new ATOM 781 N LYS B 13 9.461 -2.095 -5.564 1.00 0.00 N ATOM 782 CA LYS B 13 8.275 -1.256 -5.513 1.00 0.00 C ATOM 783 C LYS B 13 7.084 -2.094 -5.044 1.00 0.00 C ATOM 784 O LYS B 13 6.297 -1.649 -4.209 1.00 0.00 O ATOM 785 CB LYS B 13 8.049 -0.564 -6.858 1.00 0.00 C ATOM 786 CG LYS B 13 7.353 0.786 -6.671 1.00 0.00 C ATOM 787 CD LYS B 13 7.532 1.672 -7.906 1.00 0.00 C ATOM 788 CE LYS B 13 8.967 2.196 -8.000 1.00 0.00 C ATOM 789 NZ LYS B 13 9.578 1.804 -9.290 1.00 0.00 N ATOM 0 H LYS B 13 9.726 -2.402 -6.500 1.00 0.00 H new ATOM 0 HA LYS B 13 8.407 -0.453 -4.787 1.00 0.00 H new ATOM 0 HB2 LYS B 13 9.005 -0.418 -7.361 1.00 0.00 H new ATOM 0 HB3 LYS B 13 7.445 -1.202 -7.502 1.00 0.00 H new ATOM 0 HG2 LYS B 13 6.291 0.628 -6.483 1.00 0.00 H new ATOM 0 HG3 LYS B 13 7.760 1.291 -5.795 1.00 0.00 H new ATOM 0 HD2 LYS B 13 7.289 1.104 -8.804 1.00 0.00 H new ATOM 0 HD3 LYS B 13 6.837 2.510 -7.861 1.00 0.00 H new ATOM 0 HE2 LYS B 13 8.971 3.282 -7.904 1.00 0.00 H new ATOM 0 HE3 LYS B 13 9.560 1.801 -7.175 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 10.551 2.167 -9.338 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 9.591 0.767 -9.367 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 9.021 2.202 -10.073 1.00 0.00 H new ATOM 802 N ILE B 14 6.987 -3.292 -5.602 1.00 0.00 N ATOM 803 CA ILE B 14 5.905 -4.195 -5.252 1.00 0.00 C ATOM 804 C ILE B 14 6.082 -4.660 -3.805 1.00 0.00 C ATOM 805 O ILE B 14 5.121 -4.689 -3.036 1.00 0.00 O ATOM 806 CB ILE B 14 5.817 -5.343 -6.259 1.00 0.00 C ATOM 807 CG1 ILE B 14 4.425 -5.978 -6.249 1.00 0.00 C ATOM 808 CG2 ILE B 14 6.919 -6.374 -6.013 1.00 0.00 C ATOM 809 CD1 ILE B 14 4.204 -6.794 -4.974 1.00 0.00 C ATOM 0 H ILE B 14 7.641 -3.658 -6.294 1.00 0.00 H new ATOM 0 HA ILE B 14 4.947 -3.679 -5.307 1.00 0.00 H new ATOM 0 HB ILE B 14 5.976 -4.934 -7.257 1.00 0.00 H new ATOM 0 HG12 ILE B 14 3.666 -5.199 -6.323 1.00 0.00 H new ATOM 0 HG13 ILE B 14 4.308 -6.621 -7.121 1.00 0.00 H new ATOM 0 HG21 ILE B 14 6.833 -7.179 -6.743 1.00 0.00 H new ATOM 0 HG22 ILE B 14 7.893 -5.896 -6.113 1.00 0.00 H new ATOM 0 HG23 ILE B 14 6.817 -6.783 -5.008 1.00 0.00 H new ATOM 0 HD11 ILE B 14 3.207 -7.234 -4.992 1.00 0.00 H new ATOM 0 HD12 ILE B 14 4.950 -7.587 -4.915 1.00 0.00 H new ATOM 0 HD13 ILE B 14 4.297 -6.143 -4.105 1.00 0.00 H new ATOM 821 N ARG B 15 7.316 -5.011 -3.477 1.00 0.00 N ATOM 822 CA ARG B 15 7.632 -5.474 -2.136 1.00 0.00 C ATOM 823 C ARG B 15 7.459 -4.335 -1.128 1.00 0.00 C ATOM 824 O ARG B 15 6.959 -4.548 -0.025 1.00 0.00 O ATOM 825 CB ARG B 15 9.066 -6.001 -2.059 1.00 0.00 C ATOM 826 CG ARG B 15 9.121 -7.331 -1.303 1.00 0.00 C ATOM 827 CD ARG B 15 9.742 -7.148 0.084 1.00 0.00 C ATOM 828 NE ARG B 15 10.941 -8.005 0.217 1.00 0.00 N ATOM 829 CZ ARG B 15 11.595 -8.214 1.380 1.00 0.00 C ATOM 830 NH1 ARG B 15 11.172 -7.630 2.520 1.00 0.00 N ATOM 831 NH2 ARG B 15 12.657 -8.999 1.384 1.00 0.00 N ATOM 0 H ARG B 15 8.110 -4.984 -4.117 1.00 0.00 H new ATOM 0 HA ARG B 15 6.946 -6.286 -1.894 1.00 0.00 H new ATOM 0 HB2 ARG B 15 9.463 -6.134 -3.065 1.00 0.00 H new ATOM 0 HB3 ARG B 15 9.700 -5.268 -1.560 1.00 0.00 H new ATOM 0 HG2 ARG B 15 8.115 -7.739 -1.204 1.00 0.00 H new ATOM 0 HG3 ARG B 15 9.704 -8.054 -1.874 1.00 0.00 H new ATOM 0 HD2 ARG B 15 10.013 -6.103 0.236 1.00 0.00 H new ATOM 0 HD3 ARG B 15 9.014 -7.404 0.854 1.00 0.00 H new ATOM 0 HE ARG B 15 11.295 -8.466 -0.621 1.00 0.00 H new ATOM 0 HH11 ARG B 15 10.351 -7.024 2.509 1.00 0.00 H new ATOM 0 HH12 ARG B 15 11.673 -7.794 3.393 1.00 0.00 H new ATOM 0 HH21 ARG B 15 12.971 -9.436 0.518 1.00 0.00 H new ATOM 0 HH22 ARG B 15 13.163 -9.168 2.253 1.00 0.00 H new ATOM 844 N SER B 16 7.884 -3.151 -1.544 1.00 0.00 N ATOM 845 CA SER B 16 7.782 -1.978 -0.691 1.00 0.00 C ATOM 846 C SER B 16 6.312 -1.608 -0.483 1.00 0.00 C ATOM 847 O SER B 16 5.869 -1.428 0.650 1.00 0.00 O ATOM 848 CB SER B 16 8.548 -0.796 -1.288 1.00 0.00 C ATOM 849 OG SER B 16 8.290 0.416 -0.584 1.00 0.00 O ATOM 0 H SER B 16 8.299 -2.978 -2.459 1.00 0.00 H new ATOM 0 HA SER B 16 8.229 -2.216 0.274 1.00 0.00 H new ATOM 0 HB2 SER B 16 9.617 -1.008 -1.266 1.00 0.00 H new ATOM 0 HB3 SER B 16 8.269 -0.674 -2.335 1.00 0.00 H new ATOM 0 HG SER B 16 8.798 1.147 -0.994 1.00 0.00 H new ATOM 855 N LEU B 17 5.598 -1.505 -1.595 1.00 0.00 N ATOM 856 CA LEU B 17 4.188 -1.160 -1.548 1.00 0.00 C ATOM 857 C LEU B 17 3.447 -2.175 -0.675 1.00 0.00 C ATOM 858 O LEU B 17 2.512 -1.818 0.041 1.00 0.00 O ATOM 859 CB LEU B 17 3.619 -1.035 -2.963 1.00 0.00 C ATOM 860 CG LEU B 17 4.114 0.159 -3.781 1.00 0.00 C ATOM 861 CD1 LEU B 17 3.717 0.018 -5.252 1.00 0.00 C ATOM 862 CD2 LEU B 17 3.625 1.478 -3.179 1.00 0.00 C ATOM 0 H LEU B 17 5.970 -1.654 -2.533 1.00 0.00 H new ATOM 0 HA LEU B 17 4.051 -0.182 -1.087 1.00 0.00 H new ATOM 0 HB2 LEU B 17 3.855 -1.948 -3.510 1.00 0.00 H new ATOM 0 HB3 LEU B 17 2.533 -0.977 -2.893 1.00 0.00 H new ATOM 0 HG LEU B 17 5.203 0.172 -3.741 1.00 0.00 H new ATOM 0 HD11 LEU B 17 4.081 0.880 -5.811 1.00 0.00 H new ATOM 0 HD12 LEU B 17 4.156 -0.892 -5.662 1.00 0.00 H new ATOM 0 HD13 LEU B 17 2.631 -0.034 -5.332 1.00 0.00 H new ATOM 0 HD21 LEU B 17 3.991 2.310 -3.780 1.00 0.00 H new ATOM 0 HD22 LEU B 17 2.535 1.491 -3.167 1.00 0.00 H new ATOM 0 HD23 LEU B 17 4.000 1.574 -2.160 1.00 0.00 H new ATOM 874 N GLN B 18 3.892 -3.420 -0.764 1.00 0.00 N ATOM 875 CA GLN B 18 3.283 -4.489 0.009 1.00 0.00 C ATOM 876 C GLN B 18 3.447 -4.222 1.507 1.00 0.00 C ATOM 877 O GLN B 18 2.472 -4.243 2.255 1.00 0.00 O ATOM 878 CB GLN B 18 3.873 -5.847 -0.374 1.00 0.00 C ATOM 879 CG GLN B 18 3.083 -6.989 0.267 1.00 0.00 C ATOM 880 CD GLN B 18 4.022 -8.052 0.842 1.00 0.00 C ATOM 881 OE1 GLN B 18 4.048 -8.314 2.033 1.00 0.00 O ATOM 882 NE2 GLN B 18 4.789 -8.645 -0.068 1.00 0.00 N ATOM 0 H GLN B 18 4.667 -3.712 -1.360 1.00 0.00 H new ATOM 0 HA GLN B 18 2.218 -4.515 -0.220 1.00 0.00 H new ATOM 0 HB2 GLN B 18 3.865 -5.958 -1.458 1.00 0.00 H new ATOM 0 HB3 GLN B 18 4.914 -5.898 -0.056 1.00 0.00 H new ATOM 0 HG2 GLN B 18 2.446 -6.595 1.059 1.00 0.00 H new ATOM 0 HG3 GLN B 18 2.426 -7.442 -0.475 1.00 0.00 H new ATOM 0 HE21 GLN B 18 4.716 -8.377 -1.049 1.00 0.00 H new ATOM 0 HE22 GLN B 18 5.450 -9.368 0.215 1.00 0.00 H new ATOM 891 N GLU B 19 4.689 -3.977 1.898 1.00 0.00 N ATOM 892 CA GLU B 19 4.994 -3.707 3.292 1.00 0.00 C ATOM 893 C GLU B 19 4.167 -2.523 3.797 1.00 0.00 C ATOM 894 O GLU B 19 3.661 -2.546 4.918 1.00 0.00 O ATOM 895 CB GLU B 19 6.490 -3.453 3.488 1.00 0.00 C ATOM 896 CG GLU B 19 7.294 -4.738 3.284 1.00 0.00 C ATOM 897 CD GLU B 19 8.732 -4.569 3.781 1.00 0.00 C ATOM 898 OE1 GLU B 19 8.993 -3.719 4.645 1.00 0.00 O ATOM 899 OE2 GLU B 19 9.593 -5.361 3.237 1.00 0.00 O ATOM 0 H GLU B 19 5.495 -3.960 1.274 1.00 0.00 H new ATOM 0 HA GLU B 19 4.729 -4.587 3.878 1.00 0.00 H new ATOM 0 HB2 GLU B 19 6.829 -2.692 2.785 1.00 0.00 H new ATOM 0 HB3 GLU B 19 6.668 -3.063 4.490 1.00 0.00 H new ATOM 0 HG2 GLU B 19 6.815 -5.559 3.817 1.00 0.00 H new ATOM 0 HG3 GLU B 19 7.299 -5.004 2.227 1.00 0.00 H new ATOM 907 N GLN B 20 4.055 -1.514 2.944 1.00 0.00 N ATOM 908 CA GLN B 20 3.298 -0.323 3.289 1.00 0.00 C ATOM 909 C GLN B 20 1.806 -0.650 3.380 1.00 0.00 C ATOM 910 O GLN B 20 1.096 -0.099 4.220 1.00 0.00 O ATOM 911 CB GLN B 20 3.553 0.800 2.281 1.00 0.00 C ATOM 912 CG GLN B 20 2.466 1.872 2.369 1.00 0.00 C ATOM 913 CD GLN B 20 2.970 3.210 1.822 1.00 0.00 C ATOM 914 OE1 GLN B 20 4.152 3.512 1.841 1.00 0.00 O ATOM 915 NE2 GLN B 20 2.011 3.992 1.335 1.00 0.00 N ATOM 0 H GLN B 20 4.476 -1.498 2.015 1.00 0.00 H new ATOM 0 HA GLN B 20 3.633 0.027 4.265 1.00 0.00 H new ATOM 0 HB2 GLN B 20 4.528 1.249 2.470 1.00 0.00 H new ATOM 0 HB3 GLN B 20 3.582 0.388 1.272 1.00 0.00 H new ATOM 0 HG2 GLN B 20 1.589 1.552 1.807 1.00 0.00 H new ATOM 0 HG3 GLN B 20 2.153 1.994 3.406 1.00 0.00 H new ATOM 0 HE21 GLN B 20 1.041 3.678 1.350 1.00 0.00 H new ATOM 0 HE22 GLN B 20 2.246 4.906 0.947 1.00 0.00 H new ATOM 924 N ASN B 21 1.374 -1.544 2.503 1.00 0.00 N ATOM 925 CA ASN B 21 -0.020 -1.951 2.473 1.00 0.00 C ATOM 926 C ASN B 21 -0.404 -2.542 3.832 1.00 0.00 C ATOM 927 O ASN B 21 -1.467 -2.233 4.369 1.00 0.00 O ATOM 928 CB ASN B 21 -0.259 -3.023 1.408 1.00 0.00 C ATOM 929 CG ASN B 21 -0.771 -2.399 0.108 1.00 0.00 C ATOM 930 OD1 ASN B 21 -1.523 -2.996 -0.644 1.00 0.00 O ATOM 931 ND2 ASN B 21 -0.324 -1.166 -0.113 1.00 0.00 N ATOM 0 H ASN B 21 1.966 -1.998 1.807 1.00 0.00 H new ATOM 0 HA ASN B 21 -0.622 -1.072 2.242 1.00 0.00 H new ATOM 0 HB2 ASN B 21 0.668 -3.563 1.216 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -0.982 -3.751 1.776 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -0.609 -0.663 -0.953 1.00 0.00 H new ATOM 0 HD22 ASN B 21 0.304 -0.723 0.558 1.00 0.00 H new ATOM 938 N TYR B 22 0.483 -3.379 4.348 1.00 0.00 N ATOM 939 CA TYR B 22 0.251 -4.016 5.634 1.00 0.00 C ATOM 940 C TYR B 22 0.544 -3.050 6.784 1.00 0.00 C ATOM 941 O TYR B 22 0.016 -3.210 7.883 1.00 0.00 O ATOM 942 CB TYR B 22 1.230 -5.189 5.706 1.00 0.00 C ATOM 943 CG TYR B 22 0.613 -6.482 6.243 1.00 0.00 C ATOM 944 CD1 TYR B 22 -0.204 -7.245 5.434 1.00 0.00 C ATOM 945 CD2 TYR B 22 0.874 -6.885 7.538 1.00 0.00 C ATOM 946 CE1 TYR B 22 -0.784 -8.461 5.940 1.00 0.00 C ATOM 947 CE2 TYR B 22 0.293 -8.102 8.043 1.00 0.00 C ATOM 948 CZ TYR B 22 -0.508 -8.830 7.219 1.00 0.00 C ATOM 949 OH TYR B 22 -1.056 -9.980 7.697 1.00 0.00 O ATOM 0 H TYR B 22 1.364 -3.631 3.900 1.00 0.00 H new ATOM 0 HA TYR B 22 -0.788 -4.333 5.724 1.00 0.00 H new ATOM 0 HB2 TYR B 22 1.631 -5.376 4.710 1.00 0.00 H new ATOM 0 HB3 TYR B 22 2.071 -4.909 6.340 1.00 0.00 H new ATOM 0 HD1 TYR B 22 -0.408 -6.930 4.421 1.00 0.00 H new ATOM 0 HD2 TYR B 22 1.513 -6.288 8.171 1.00 0.00 H new ATOM 0 HE1 TYR B 22 -1.425 -9.067 5.317 1.00 0.00 H new ATOM 0 HE2 TYR B 22 0.489 -8.429 9.053 1.00 0.00 H new ATOM 0 HH TYR B 22 -0.771 -10.118 8.624 1.00 0.00 H new ATOM 959 N HIS B 23 1.384 -2.069 6.491 1.00 0.00 N ATOM 960 CA HIS B 23 1.754 -1.078 7.488 1.00 0.00 C ATOM 961 C HIS B 23 0.598 -0.096 7.688 1.00 0.00 C ATOM 962 O HIS B 23 0.249 0.236 8.821 1.00 0.00 O ATOM 963 CB HIS B 23 3.063 -0.384 7.104 1.00 0.00 C ATOM 964 CG HIS B 23 4.238 -0.767 7.970 1.00 0.00 C ATOM 965 ND1 HIS B 23 4.811 0.100 8.883 1.00 0.00 N ATOM 966 CD2 HIS B 23 4.942 -1.933 8.052 1.00 0.00 C ATOM 967 CE1 HIS B 23 5.814 -0.526 9.483 1.00 0.00 C ATOM 968 NE2 HIS B 23 5.894 -1.786 8.965 1.00 0.00 N ATOM 0 H HIS B 23 1.819 -1.939 5.578 1.00 0.00 H new ATOM 0 HA HIS B 23 1.938 -1.568 8.444 1.00 0.00 H new ATOM 0 HB2 HIS B 23 3.297 -0.621 6.066 1.00 0.00 H new ATOM 0 HB3 HIS B 23 2.920 0.695 7.160 1.00 0.00 H new ATOM 0 HD2 HIS B 23 4.756 -2.825 7.472 1.00 0.00 H new ATOM 0 HE1 HIS B 23 6.455 -0.112 10.247 1.00 0.00 H new ATOM 0 HE2 HIS B 23 6.573 -2.497 9.235 1.00 0.00 H new ATOM 976 N LEU B 24 0.036 0.342 6.572 1.00 0.00 N ATOM 977 CA LEU B 24 -1.073 1.280 6.610 1.00 0.00 C ATOM 978 C LEU B 24 -2.364 0.523 6.933 1.00 0.00 C ATOM 979 O LEU B 24 -3.301 1.095 7.488 1.00 0.00 O ATOM 980 CB LEU B 24 -1.141 2.084 5.310 1.00 0.00 C ATOM 981 CG LEU B 24 -0.181 3.269 5.204 1.00 0.00 C ATOM 982 CD1 LEU B 24 1.260 2.834 5.479 1.00 0.00 C ATOM 983 CD2 LEU B 24 -0.318 3.967 3.850 1.00 0.00 C ATOM 0 H LEU B 24 0.328 0.065 5.635 1.00 0.00 H new ATOM 0 HA LEU B 24 -0.925 2.013 7.403 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -0.946 1.408 4.477 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -2.159 2.454 5.188 1.00 0.00 H new ATOM 0 HG LEU B 24 -0.451 3.995 5.970 1.00 0.00 H new ATOM 0 HD11 LEU B 24 1.922 3.696 5.397 1.00 0.00 H new ATOM 0 HD12 LEU B 24 1.329 2.418 6.484 1.00 0.00 H new ATOM 0 HD13 LEU B 24 1.557 2.078 4.752 1.00 0.00 H new ATOM 0 HD21 LEU B 24 0.376 4.806 3.801 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -0.090 3.261 3.052 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -1.338 4.332 3.731 1.00 0.00 H new ATOM 995 N GLU B 25 -2.371 -0.752 6.572 1.00 0.00 N ATOM 996 CA GLU B 25 -3.530 -1.592 6.817 1.00 0.00 C ATOM 997 C GLU B 25 -3.703 -1.834 8.317 1.00 0.00 C ATOM 998 O GLU B 25 -4.811 -1.728 8.843 1.00 0.00 O ATOM 999 CB GLU B 25 -3.419 -2.916 6.058 1.00 0.00 C ATOM 1000 CG GLU B 25 -4.468 -3.918 6.544 1.00 0.00 C ATOM 1001 CD GLU B 25 -4.379 -5.228 5.759 1.00 0.00 C ATOM 1002 OE1 GLU B 25 -3.275 -5.753 5.550 1.00 0.00 O ATOM 1003 OE2 GLU B 25 -5.512 -5.703 5.362 1.00 0.00 O ATOM 0 H GLU B 25 -1.592 -1.223 6.112 1.00 0.00 H new ATOM 0 HA GLU B 25 -4.414 -1.072 6.448 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -3.548 -2.739 4.990 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -2.422 -3.334 6.194 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -4.323 -4.116 7.606 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -5.464 -3.490 6.433 1.00 0.00 H new ATOM 1011 N ASN B 26 -2.593 -2.156 8.965 1.00 0.00 N ATOM 1012 CA ASN B 26 -2.608 -2.414 10.394 1.00 0.00 C ATOM 1013 C ASN B 26 -2.694 -1.085 11.148 1.00 0.00 C ATOM 1014 O ASN B 26 -3.296 -1.011 12.218 1.00 0.00 O ATOM 1015 CB ASN B 26 -1.329 -3.126 10.839 1.00 0.00 C ATOM 1016 CG ASN B 26 -1.288 -4.562 10.310 1.00 0.00 C ATOM 1017 OD1 ASN B 26 -2.246 -5.312 10.402 1.00 0.00 O ATOM 1018 ND2 ASN B 26 -0.130 -4.899 9.750 1.00 0.00 N ATOM 0 H ASN B 26 -1.677 -2.244 8.526 1.00 0.00 H new ATOM 0 HA ASN B 26 -3.468 -3.046 10.612 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -0.459 -2.577 10.479 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -1.273 -3.134 11.928 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -0.003 -5.835 9.364 1.00 0.00 H new ATOM 0 HD22 ASN B 26 0.631 -4.222 9.706 1.00 0.00 H new ATOM 1025 N GLU B 27 -2.083 -0.067 10.558 1.00 0.00 N ATOM 1026 CA GLU B 27 -2.084 1.256 11.161 1.00 0.00 C ATOM 1027 C GLU B 27 -3.495 1.846 11.144 1.00 0.00 C ATOM 1028 O GLU B 27 -3.985 2.323 12.168 1.00 0.00 O ATOM 1029 CB GLU B 27 -1.095 2.182 10.450 1.00 0.00 C ATOM 1030 CG GLU B 27 -0.990 3.528 11.171 1.00 0.00 C ATOM 1031 CD GLU B 27 0.072 3.480 12.270 1.00 0.00 C ATOM 1032 OE1 GLU B 27 -0.268 3.510 13.463 1.00 0.00 O ATOM 1033 OE2 GLU B 27 1.289 3.410 11.850 1.00 0.00 O ATOM 0 H GLU B 27 -1.585 -0.131 9.670 1.00 0.00 H new ATOM 0 HA GLU B 27 -1.763 1.162 12.198 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -0.114 1.710 10.409 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -1.415 2.341 9.420 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -0.741 4.310 10.454 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -1.956 3.789 11.605 1.00 0.00 H new ATOM 1041 N VAL B 28 -4.110 1.794 9.972 1.00 0.00 N ATOM 1042 CA VAL B 28 -5.456 2.318 9.809 1.00 0.00 C ATOM 1043 C VAL B 28 -6.415 1.541 10.714 1.00 0.00 C ATOM 1044 O VAL B 28 -7.188 2.137 11.462 1.00 0.00 O ATOM 1045 CB VAL B 28 -5.859 2.274 8.333 1.00 0.00 C ATOM 1046 CG1 VAL B 28 -6.379 0.887 7.948 1.00 0.00 C ATOM 1047 CG2 VAL B 28 -6.894 3.356 8.016 1.00 0.00 C ATOM 0 H VAL B 28 -3.701 1.397 9.126 1.00 0.00 H new ATOM 0 HA VAL B 28 -5.498 3.364 10.113 1.00 0.00 H new ATOM 0 HB VAL B 28 -4.970 2.475 7.736 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -6.658 0.883 6.894 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -5.599 0.145 8.119 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -7.251 0.644 8.556 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -7.164 3.304 6.961 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -7.783 3.199 8.626 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -6.473 4.337 8.234 1.00 0.00 H new ATOM 1057 N ALA B 29 -6.331 0.222 10.616 1.00 0.00 N ATOM 1058 CA ALA B 29 -7.181 -0.642 11.417 1.00 0.00 C ATOM 1059 C ALA B 29 -7.131 -0.189 12.877 1.00 0.00 C ATOM 1060 O ALA B 29 -8.169 0.074 13.485 1.00 0.00 O ATOM 1061 CB ALA B 29 -6.739 -2.097 11.242 1.00 0.00 C ATOM 0 H ALA B 29 -5.688 -0.269 9.995 1.00 0.00 H new ATOM 0 HA ALA B 29 -8.218 -0.574 11.087 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -7.376 -2.746 11.843 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -6.821 -2.379 10.192 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -5.704 -2.204 11.566 1.00 0.00 H new ATOM 1067 N ARG B 30 -5.916 -0.111 13.398 1.00 0.00 N ATOM 1068 CA ARG B 30 -5.718 0.307 14.775 1.00 0.00 C ATOM 1069 C ARG B 30 -6.139 1.767 14.953 1.00 0.00 C ATOM 1070 O ARG B 30 -6.486 2.186 16.057 1.00 0.00 O ATOM 1071 CB ARG B 30 -4.254 0.151 15.193 1.00 0.00 C ATOM 1072 CG ARG B 30 -4.089 0.356 16.700 1.00 0.00 C ATOM 1073 CD ARG B 30 -2.755 1.035 17.019 1.00 0.00 C ATOM 1074 NE ARG B 30 -2.547 1.081 18.483 1.00 0.00 N ATOM 1075 CZ ARG B 30 -2.325 -0.007 19.250 1.00 0.00 C ATOM 1076 NH1 ARG B 30 -2.280 -1.237 18.698 1.00 0.00 N ATOM 1077 NH2 ARG B 30 -2.152 0.151 20.550 1.00 0.00 N ATOM 0 H ARG B 30 -5.058 -0.330 12.891 1.00 0.00 H new ATOM 0 HA ARG B 30 -6.335 -0.332 15.407 1.00 0.00 H new ATOM 0 HB2 ARG B 30 -3.897 -0.841 14.916 1.00 0.00 H new ATOM 0 HB3 ARG B 30 -3.640 0.873 14.655 1.00 0.00 H new ATOM 0 HG2 ARG B 30 -4.910 0.964 17.080 1.00 0.00 H new ATOM 0 HG3 ARG B 30 -4.142 -0.606 17.209 1.00 0.00 H new ATOM 0 HD2 ARG B 30 -1.938 0.491 16.544 1.00 0.00 H new ATOM 0 HD3 ARG B 30 -2.745 2.045 16.610 1.00 0.00 H new ATOM 0 HE ARG B 30 -2.573 1.992 18.941 1.00 0.00 H new ATOM 0 HH11 ARG B 30 -2.414 -1.350 17.693 1.00 0.00 H new ATOM 0 HH12 ARG B 30 -2.112 -2.054 19.285 1.00 0.00 H new ATOM 0 HH21 ARG B 30 -2.187 1.085 20.959 1.00 0.00 H new ATOM 0 HH22 ARG B 30 -1.983 -0.661 21.144 1.00 0.00 H new ATOM 1090 N LEU B 31 -6.095 2.501 13.852 1.00 0.00 N ATOM 1091 CA LEU B 31 -6.468 3.905 13.872 1.00 0.00 C ATOM 1092 C LEU B 31 -7.974 4.025 14.104 1.00 0.00 C ATOM 1093 O LEU B 31 -8.410 4.522 15.142 1.00 0.00 O ATOM 1094 CB LEU B 31 -5.982 4.606 12.601 1.00 0.00 C ATOM 1095 CG LEU B 31 -5.959 6.136 12.648 1.00 0.00 C ATOM 1096 CD1 LEU B 31 -5.085 6.637 13.799 1.00 0.00 C ATOM 1097 CD2 LEU B 31 -5.523 6.717 11.301 1.00 0.00 C ATOM 0 H LEU B 31 -5.806 2.150 12.939 1.00 0.00 H new ATOM 0 HA LEU B 31 -5.977 4.418 14.699 1.00 0.00 H new ATOM 0 HB2 LEU B 31 -4.975 4.254 12.377 1.00 0.00 H new ATOM 0 HB3 LEU B 31 -6.619 4.297 11.773 1.00 0.00 H new ATOM 0 HG LEU B 31 -6.973 6.488 12.839 1.00 0.00 H new ATOM 0 HD11 LEU B 31 -5.086 7.727 13.809 1.00 0.00 H new ATOM 0 HD12 LEU B 31 -5.480 6.265 14.744 1.00 0.00 H new ATOM 0 HD13 LEU B 31 -4.065 6.277 13.665 1.00 0.00 H new ATOM 0 HD21 LEU B 31 -5.515 7.805 11.360 1.00 0.00 H new ATOM 0 HD22 LEU B 31 -4.523 6.359 11.057 1.00 0.00 H new ATOM 0 HD23 LEU B 31 -6.221 6.401 10.525 1.00 0.00 H new ATOM 1109 N LYS B 32 -8.732 3.561 13.119 1.00 0.00 N ATOM 1110 CA LYS B 32 -10.181 3.610 13.203 1.00 0.00 C ATOM 1111 C LYS B 32 -10.631 2.997 14.530 1.00 0.00 C ATOM 1112 O LYS B 32 -11.691 3.345 15.051 1.00 0.00 O ATOM 1113 CB LYS B 32 -10.811 2.951 11.975 1.00 0.00 C ATOM 1114 CG LYS B 32 -10.264 1.536 11.771 1.00 0.00 C ATOM 1115 CD LYS B 32 -10.243 1.166 10.287 1.00 0.00 C ATOM 1116 CE LYS B 32 -9.534 2.242 9.463 1.00 0.00 C ATOM 1117 NZ LYS B 32 -10.511 2.996 8.646 1.00 0.00 N ATOM 0 H LYS B 32 -8.368 3.150 12.259 1.00 0.00 H new ATOM 0 HA LYS B 32 -10.529 4.643 13.195 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -11.894 2.913 12.094 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -10.609 3.554 11.090 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -9.256 1.469 12.181 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -10.879 0.822 12.319 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -9.737 0.209 10.154 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -11.264 1.040 9.926 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -9.002 2.924 10.126 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -8.789 1.780 8.815 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -10.030 3.786 8.171 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -10.927 2.365 7.932 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -11.264 3.367 9.260 1.00 0.00 H new ATOM 1130 N LYS B 33 -9.806 2.094 15.039 1.00 0.00 N ATOM 1131 CA LYS B 33 -10.107 1.429 16.296 1.00 0.00 C ATOM 1132 C LYS B 33 -9.779 2.370 17.457 1.00 0.00 C ATOM 1133 O LYS B 33 -10.553 2.483 18.406 1.00 0.00 O ATOM 1134 CB LYS B 33 -9.387 0.081 16.374 1.00 0.00 C ATOM 1135 CG LYS B 33 -9.785 -0.680 17.640 1.00 0.00 C ATOM 1136 CD LYS B 33 -8.941 -1.945 17.807 1.00 0.00 C ATOM 1137 CE LYS B 33 -9.690 -3.176 17.294 1.00 0.00 C ATOM 1138 NZ LYS B 33 -8.744 -4.147 16.699 1.00 0.00 N ATOM 0 H LYS B 33 -8.929 1.807 14.604 1.00 0.00 H new ATOM 0 HA LYS B 33 -11.171 1.201 16.362 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -9.629 -0.516 15.495 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -8.309 0.239 16.364 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -9.658 -0.036 18.511 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -10.841 -0.947 17.592 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -8.002 -1.834 17.265 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -8.688 -2.081 18.858 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -10.235 -3.645 18.113 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -10.428 -2.876 16.550 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -9.268 -4.977 16.356 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -8.243 -3.701 15.904 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -8.055 -4.446 17.419 1.00 0.00 H new ATOM 1151 N LEU B 34 -8.629 3.020 17.343 1.00 0.00 N ATOM 1152 CA LEU B 34 -8.190 3.947 18.373 1.00 0.00 C ATOM 1153 C LEU B 34 -9.116 5.165 18.385 1.00 0.00 C ATOM 1154 O LEU B 34 -9.658 5.526 19.428 1.00 0.00 O ATOM 1155 CB LEU B 34 -6.713 4.299 18.181 1.00 0.00 C ATOM 1156 CG LEU B 34 -5.987 4.839 19.414 1.00 0.00 C ATOM 1157 CD1 LEU B 34 -4.491 4.523 19.350 1.00 0.00 C ATOM 1158 CD2 LEU B 34 -6.251 6.335 19.594 1.00 0.00 C ATOM 0 H LEU B 34 -7.989 2.923 16.555 1.00 0.00 H new ATOM 0 HA LEU B 34 -8.259 3.484 19.358 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.189 3.407 17.837 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -6.637 5.040 17.385 1.00 0.00 H new ATOM 0 HG LEU B 34 -6.385 4.335 20.294 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -3.997 4.918 20.238 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -4.349 3.443 19.305 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -4.060 4.983 18.461 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -5.723 6.694 20.478 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.897 6.875 18.716 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -7.321 6.503 19.717 1.00 0.00 H new ATOM 1170 N VAL B 35 -9.268 5.765 17.213 1.00 0.00 N ATOM 1171 CA VAL B 35 -10.119 6.934 17.078 1.00 0.00 C ATOM 1172 C VAL B 35 -11.455 6.673 17.777 1.00 0.00 C ATOM 1173 O VAL B 35 -11.876 7.452 18.630 1.00 0.00 O ATOM 1174 CB VAL B 35 -10.280 7.295 15.599 1.00 0.00 C ATOM 1175 CG1 VAL B 35 -8.920 7.550 14.946 1.00 0.00 C ATOM 1176 CG2 VAL B 35 -11.052 6.207 14.850 1.00 0.00 C ATOM 0 H VAL B 35 -8.816 5.463 16.350 1.00 0.00 H new ATOM 0 HA VAL B 35 -9.662 7.796 17.563 1.00 0.00 H new ATOM 0 HB VAL B 35 -10.858 8.217 15.540 1.00 0.00 H new ATOM 0 HG11 VAL B 35 -9.063 7.804 13.896 1.00 0.00 H new ATOM 0 HG12 VAL B 35 -8.421 8.375 15.455 1.00 0.00 H new ATOM 0 HG13 VAL B 35 -8.306 6.653 15.022 1.00 0.00 H new ATOM 0 HG21 VAL B 35 -11.152 6.488 13.802 1.00 0.00 H new ATOM 0 HG22 VAL B 35 -10.512 5.263 14.922 1.00 0.00 H new ATOM 0 HG23 VAL B 35 -12.042 6.094 15.292 1.00 0.00 H new ATOM 1186 N GLY B 36 -12.084 5.573 17.390 1.00 0.00 N ATOM 1187 CA GLY B 36 -13.363 5.199 17.969 1.00 0.00 C ATOM 1188 C GLY B 36 -14.468 6.158 17.523 1.00 0.00 C ATOM 1189 O GLY B 36 -15.473 5.733 16.954 1.00 0.00 O ATOM 0 H GLY B 36 -11.732 4.929 16.682 1.00 0.00 H new ATOM 0 HA2 GLY B 36 -13.617 4.182 17.671 1.00 0.00 H new ATOM 0 HA3 GLY B 36 -13.289 5.204 19.056 1.00 0.00 H new ATOM 1193 N GLU B 37 -14.246 7.435 17.799 1.00 0.00 N ATOM 1194 CA GLU B 37 -15.210 8.459 17.434 1.00 0.00 C ATOM 1195 C GLU B 37 -15.567 8.347 15.950 1.00 0.00 C ATOM 1196 O GLU B 37 -15.170 7.393 15.283 1.00 0.00 O ATOM 1197 CB GLU B 37 -14.681 9.855 17.766 1.00 0.00 C ATOM 1198 CG GLU B 37 -15.261 10.360 19.090 1.00 0.00 C ATOM 1199 CD GLU B 37 -15.854 11.761 18.929 1.00 0.00 C ATOM 1200 OE1 GLU B 37 -15.497 12.676 19.685 1.00 0.00 O ATOM 1201 OE2 GLU B 37 -16.716 11.882 17.977 1.00 0.00 O ATOM 0 H GLU B 37 -13.412 7.784 18.271 1.00 0.00 H new ATOM 0 HA GLU B 37 -16.116 8.302 18.019 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -13.593 9.831 17.827 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -14.940 10.546 16.964 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -16.032 9.673 19.439 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -14.480 10.377 19.850 1.00 0.00 H new ATOM 1209 N ARG B 38 -16.312 9.336 15.476 1.00 0.00 N ATOM 1210 CA ARG B 38 -16.726 9.360 14.085 1.00 0.00 C ATOM 1211 C ARG B 38 -17.182 7.968 13.642 1.00 0.00 C ATOM 1212 O ARG B 38 -17.901 7.286 14.369 1.00 0.00 O ATOM 1213 CB ARG B 38 -15.585 9.828 13.179 1.00 0.00 C ATOM 1214 CG ARG B 38 -15.860 9.463 11.718 1.00 0.00 C ATOM 1215 CD ARG B 38 -15.119 8.185 11.323 1.00 0.00 C ATOM 1216 NE ARG B 38 -16.074 7.191 10.785 1.00 0.00 N ATOM 1217 CZ ARG B 38 -16.706 7.315 9.598 1.00 0.00 C ATOM 1218 NH1 ARG B 38 -16.488 8.392 8.814 1.00 0.00 N ATOM 1219 NH2 ARG B 38 -17.540 6.366 9.216 1.00 0.00 N ATOM 0 H ARG B 38 -16.639 10.126 16.032 1.00 0.00 H new ATOM 0 HA ARG B 38 -17.555 10.062 13.998 1.00 0.00 H new ATOM 0 HB2 ARG B 38 -15.462 10.907 13.271 1.00 0.00 H new ATOM 0 HB3 ARG B 38 -14.649 9.372 13.502 1.00 0.00 H new ATOM 0 HG2 ARG B 38 -16.931 9.327 11.569 1.00 0.00 H new ATOM 0 HG3 ARG B 38 -15.549 10.283 11.070 1.00 0.00 H new ATOM 0 HD2 ARG B 38 -14.359 8.412 10.576 1.00 0.00 H new ATOM 0 HD3 ARG B 38 -14.602 7.772 12.189 1.00 0.00 H new ATOM 0 HE ARG B 38 -16.267 6.361 11.345 1.00 0.00 H new ATOM 0 HH11 ARG B 38 -15.841 9.121 9.117 1.00 0.00 H new ATOM 0 HH12 ARG B 38 -16.970 8.477 7.919 1.00 0.00 H new ATOM 0 HH21 ARG B 38 -17.699 5.555 9.814 1.00 0.00 H new ATOM 0 HH22 ARG B 38 -18.026 6.443 8.323 1.00 0.00 H new TER 1232 ARG B 38