USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 748 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 55 ASN : amide:sc= -1.28 X(o=-22,f=-23!) USER MOD Set 1.2: A 59 HIS : no HE2:sc= -14.3! C(o=-22!,f=-27!) USER MOD Set 1.3: A 61 TYR OH : rot 30:sc= -6.91! USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.142 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0199 K(o=-0.02,f=-2.6!) USER MOD Single : A 20 SER OG : rot -105:sc= -1.57 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -2.47! C(o=-2.5!,f=-2.7!) USER MOD Single : A 26 THR OG1 : rot -83:sc= 1.29 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -8.69! C(o=-8.7!,f=-28!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -1.01 K(o=-1,f=-7.7!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.241 K(o=-0.24,f=-1.1!) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0.0207 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.451 K(o=-0.45,f=-3!) USER MOD Single : A 69 LYS NZ :NH3+ -152:sc= -0.0278 (180deg=-0.594) USER MOD Single : A 74 THR OG1 : rot 61:sc= 0.312 USER MOD Single : A 81 GLN : amide:sc= -0.285 X(o=-0.29,f=-0.023) USER MOD Single : A 82 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00953) USER MOD Single : A 86 GLN : amide:sc= -2.42 K(o=-2.4,f=-5.5!) USER MOD Single : A 87 LYS NZ :NH3+ -156:sc= -0.0405 (180deg=-0.277) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.554 19.477 -3.749 1.00 0.00 N ATOM 2 CA ALA A 1 -11.493 18.068 -3.269 1.00 0.00 C ATOM 3 C ALA A 1 -10.105 17.786 -2.691 1.00 0.00 C ATOM 4 O ALA A 1 -9.186 17.432 -3.402 1.00 0.00 O ATOM 5 CB ALA A 1 -11.762 17.120 -4.440 1.00 0.00 C ATOM 0 H1 ALA A 1 -12.497 19.669 -4.142 1.00 0.00 H new ATOM 0 H2 ALA A 1 -11.372 20.123 -2.954 1.00 0.00 H new ATOM 0 H3 ALA A 1 -10.835 19.624 -4.486 1.00 0.00 H new ATOM 0 HA ALA A 1 -12.246 17.913 -2.496 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -11.718 16.088 -4.091 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -12.751 17.322 -4.852 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -11.009 17.274 -5.213 1.00 0.00 H new ATOM 13 N GLU A 2 -9.945 17.942 -1.406 1.00 0.00 N ATOM 14 CA GLU A 2 -8.615 17.684 -0.784 1.00 0.00 C ATOM 15 C GLU A 2 -8.713 16.474 0.148 1.00 0.00 C ATOM 16 O GLU A 2 -8.043 15.478 -0.040 1.00 0.00 O ATOM 17 CB GLU A 2 -8.178 18.911 0.016 1.00 0.00 C ATOM 18 CG GLU A 2 -8.585 20.182 -0.733 1.00 0.00 C ATOM 19 CD GLU A 2 -7.700 21.345 -0.280 1.00 0.00 C ATOM 20 OE1 GLU A 2 -6.584 21.087 0.137 1.00 0.00 O ATOM 21 OE2 GLU A 2 -8.155 22.474 -0.361 1.00 0.00 O ATOM 0 H GLU A 2 -10.677 18.237 -0.760 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.883 17.482 -1.565 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.637 18.896 1.004 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.098 18.895 0.166 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.485 20.032 -1.808 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -9.633 20.411 -0.540 1.00 0.00 H new ATOM 28 N VAL A 3 -9.540 16.553 1.154 1.00 0.00 N ATOM 29 CA VAL A 3 -9.675 15.406 2.095 1.00 0.00 C ATOM 30 C VAL A 3 -11.144 14.984 2.182 1.00 0.00 C ATOM 31 O VAL A 3 -11.577 14.398 3.155 1.00 0.00 O ATOM 32 CB VAL A 3 -9.170 15.819 3.481 1.00 0.00 C ATOM 33 CG1 VAL A 3 -10.196 16.730 4.156 1.00 0.00 C ATOM 34 CG2 VAL A 3 -8.959 14.568 4.338 1.00 0.00 C ATOM 0 H VAL A 3 -10.127 17.360 1.365 1.00 0.00 H new ATOM 0 HA VAL A 3 -9.082 14.566 1.732 1.00 0.00 H new ATOM 0 HB VAL A 3 -8.227 16.356 3.376 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -9.832 17.021 5.141 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -10.347 17.622 3.547 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -11.142 16.198 4.261 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.600 14.859 5.325 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -9.903 14.033 4.439 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -8.224 13.920 3.861 1.00 0.00 H new ATOM 44 N ARG A 4 -11.915 15.275 1.169 1.00 0.00 N ATOM 45 CA ARG A 4 -13.354 14.887 1.189 1.00 0.00 C ATOM 46 C ARG A 4 -13.494 13.379 1.438 1.00 0.00 C ATOM 47 O ARG A 4 -14.287 12.968 2.262 1.00 0.00 O ATOM 48 CB ARG A 4 -14.004 15.242 -0.152 1.00 0.00 C ATOM 49 CG ARG A 4 -15.470 15.615 0.075 1.00 0.00 C ATOM 50 CD ARG A 4 -16.367 14.675 -0.736 1.00 0.00 C ATOM 51 NE ARG A 4 -17.158 13.820 0.193 1.00 0.00 N ATOM 52 CZ ARG A 4 -17.979 12.924 -0.283 1.00 0.00 C ATOM 53 NH1 ARG A 4 -19.120 13.292 -0.799 1.00 0.00 N ATOM 54 NH2 ARG A 4 -17.659 11.659 -0.244 1.00 0.00 N ATOM 0 H ARG A 4 -11.610 15.765 0.328 1.00 0.00 H new ATOM 0 HA ARG A 4 -13.852 15.430 1.993 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -13.474 16.073 -0.617 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -13.934 14.397 -0.837 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -15.715 15.544 1.135 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -15.644 16.649 -0.224 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -17.036 15.253 -1.374 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -15.760 14.052 -1.393 1.00 0.00 H new ATOM 0 HE ARG A 4 -17.058 13.935 1.202 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -19.370 14.280 -0.830 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -19.761 12.591 -1.171 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -16.767 11.371 0.159 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -18.301 10.959 -0.616 1.00 0.00 H new ATOM 68 N PRO A 5 -12.730 12.593 0.716 1.00 0.00 N ATOM 69 CA PRO A 5 -12.770 11.126 0.845 1.00 0.00 C ATOM 70 C PRO A 5 -11.982 10.670 2.078 1.00 0.00 C ATOM 71 O PRO A 5 -11.231 11.434 2.651 1.00 0.00 O ATOM 72 CB PRO A 5 -12.104 10.634 -0.442 1.00 0.00 C ATOM 73 CG PRO A 5 -11.227 11.800 -0.955 1.00 0.00 C ATOM 74 CD PRO A 5 -11.762 13.082 -0.290 1.00 0.00 C ATOM 0 HA PRO A 5 -13.780 10.736 0.973 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -11.499 9.748 -0.251 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -12.852 10.355 -1.184 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -10.180 11.639 -0.698 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -11.281 11.876 -2.041 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.959 13.654 0.175 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -12.241 13.738 -1.017 1.00 0.00 H new ATOM 82 N PRO A 6 -12.185 9.431 2.449 1.00 0.00 N ATOM 83 CA PRO A 6 -11.513 8.826 3.613 1.00 0.00 C ATOM 84 C PRO A 6 -10.073 8.443 3.253 1.00 0.00 C ATOM 85 O PRO A 6 -9.481 9.001 2.350 1.00 0.00 O ATOM 86 CB PRO A 6 -12.360 7.582 3.906 1.00 0.00 C ATOM 87 CG PRO A 6 -13.098 7.235 2.592 1.00 0.00 C ATOM 88 CD PRO A 6 -13.105 8.516 1.739 1.00 0.00 C ATOM 0 HA PRO A 6 -11.442 9.495 4.470 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -11.732 6.752 4.229 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -13.070 7.776 4.710 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -12.594 6.423 2.068 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -14.115 6.900 2.796 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.765 8.319 0.722 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -14.107 8.939 1.663 1.00 0.00 H new ATOM 96 N PHE A 7 -9.502 7.496 3.948 1.00 0.00 N ATOM 97 CA PHE A 7 -8.105 7.087 3.637 1.00 0.00 C ATOM 98 C PHE A 7 -8.066 5.580 3.373 1.00 0.00 C ATOM 99 O PHE A 7 -7.647 4.804 4.208 1.00 0.00 O ATOM 100 CB PHE A 7 -7.194 7.418 4.823 1.00 0.00 C ATOM 101 CG PHE A 7 -7.703 8.653 5.528 1.00 0.00 C ATOM 102 CD1 PHE A 7 -7.361 9.924 5.050 1.00 0.00 C ATOM 103 CD2 PHE A 7 -8.518 8.526 6.659 1.00 0.00 C ATOM 104 CE1 PHE A 7 -7.833 11.068 5.704 1.00 0.00 C ATOM 105 CE2 PHE A 7 -8.990 9.671 7.313 1.00 0.00 C ATOM 106 CZ PHE A 7 -8.648 10.942 6.836 1.00 0.00 C ATOM 0 H PHE A 7 -9.943 6.990 4.716 1.00 0.00 H new ATOM 0 HA PHE A 7 -7.758 7.625 2.754 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -7.165 6.578 5.517 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -6.174 7.580 4.476 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -6.733 10.022 4.177 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -8.783 7.546 7.027 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -7.569 12.048 5.336 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -9.618 9.573 8.186 1.00 0.00 H new ATOM 0 HZ PHE A 7 -9.012 11.825 7.341 1.00 0.00 H new ATOM 116 N THR A 8 -8.504 5.163 2.217 1.00 0.00 N ATOM 117 CA THR A 8 -8.496 3.708 1.896 1.00 0.00 C ATOM 118 C THR A 8 -7.073 3.270 1.546 1.00 0.00 C ATOM 119 O THR A 8 -6.719 3.142 0.390 1.00 0.00 O ATOM 120 CB THR A 8 -9.420 3.445 0.704 1.00 0.00 C ATOM 121 OG1 THR A 8 -10.016 4.668 0.290 1.00 0.00 O ATOM 122 CG2 THR A 8 -10.513 2.457 1.113 1.00 0.00 C ATOM 0 H THR A 8 -8.867 5.768 1.480 1.00 0.00 H new ATOM 0 HA THR A 8 -8.847 3.143 2.760 1.00 0.00 H new ATOM 0 HB THR A 8 -8.842 3.025 -0.119 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.607 4.502 -0.474 1.00 0.00 H new ATOM 0 HG21 THR A 8 -11.171 2.270 0.264 1.00 0.00 H new ATOM 0 HG22 THR A 8 -10.056 1.520 1.431 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.093 2.876 1.936 1.00 0.00 H new ATOM 130 N TYR A 9 -6.253 3.038 2.535 1.00 0.00 N ATOM 131 CA TYR A 9 -4.854 2.609 2.259 1.00 0.00 C ATOM 132 C TYR A 9 -4.863 1.211 1.637 1.00 0.00 C ATOM 133 O TYR A 9 -3.979 0.851 0.885 1.00 0.00 O ATOM 134 CB TYR A 9 -4.062 2.585 3.567 1.00 0.00 C ATOM 135 CG TYR A 9 -3.838 4.001 4.040 1.00 0.00 C ATOM 136 CD1 TYR A 9 -2.892 4.812 3.400 1.00 0.00 C ATOM 137 CD2 TYR A 9 -4.578 4.505 5.117 1.00 0.00 C ATOM 138 CE1 TYR A 9 -2.687 6.126 3.836 1.00 0.00 C ATOM 139 CE2 TYR A 9 -4.372 5.819 5.553 1.00 0.00 C ATOM 140 CZ TYR A 9 -3.427 6.630 4.912 1.00 0.00 C ATOM 141 OH TYR A 9 -3.225 7.925 5.343 1.00 0.00 O ATOM 0 H TYR A 9 -6.493 3.127 3.522 1.00 0.00 H new ATOM 0 HA TYR A 9 -4.387 3.309 1.566 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.604 2.018 4.324 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.106 2.084 3.418 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.321 4.423 2.570 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.307 3.880 5.611 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -1.958 6.751 3.342 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -4.942 6.208 6.384 1.00 0.00 H new ATOM 0 HH TYR A 9 -3.820 8.115 6.098 1.00 0.00 H new ATOM 151 N ALA A 10 -5.857 0.421 1.940 1.00 0.00 N ATOM 152 CA ALA A 10 -5.920 -0.950 1.361 1.00 0.00 C ATOM 153 C ALA A 10 -6.224 -0.849 -0.136 1.00 0.00 C ATOM 154 O ALA A 10 -5.563 -1.453 -0.956 1.00 0.00 O ATOM 155 CB ALA A 10 -7.026 -1.748 2.054 1.00 0.00 C ATOM 0 H ALA A 10 -6.627 0.666 2.563 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.965 -1.455 1.509 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.071 -2.751 1.630 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.813 -1.815 3.121 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.983 -1.248 1.906 1.00 0.00 H new ATOM 161 N SER A 11 -7.220 -0.086 -0.495 1.00 0.00 N ATOM 162 CA SER A 11 -7.567 0.059 -1.937 1.00 0.00 C ATOM 163 C SER A 11 -6.483 0.884 -2.637 1.00 0.00 C ATOM 164 O SER A 11 -6.235 0.731 -3.817 1.00 0.00 O ATOM 165 CB SER A 11 -8.922 0.763 -2.065 1.00 0.00 C ATOM 166 OG SER A 11 -8.809 1.862 -2.960 1.00 0.00 O ATOM 0 H SER A 11 -7.809 0.443 0.148 1.00 0.00 H new ATOM 0 HA SER A 11 -7.629 -0.924 -2.403 1.00 0.00 H new ATOM 0 HB2 SER A 11 -9.674 0.062 -2.428 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.256 1.111 -1.087 1.00 0.00 H new ATOM 0 HG SER A 11 -9.678 2.309 -3.041 1.00 0.00 H new ATOM 172 N LEU A 12 -5.835 1.759 -1.917 1.00 0.00 N ATOM 173 CA LEU A 12 -4.768 2.593 -2.538 1.00 0.00 C ATOM 174 C LEU A 12 -3.496 1.758 -2.695 1.00 0.00 C ATOM 175 O LEU A 12 -2.926 1.670 -3.765 1.00 0.00 O ATOM 176 CB LEU A 12 -4.478 3.798 -1.641 1.00 0.00 C ATOM 177 CG LEU A 12 -4.114 5.005 -2.507 1.00 0.00 C ATOM 178 CD1 LEU A 12 -5.393 5.687 -2.995 1.00 0.00 C ATOM 179 CD2 LEU A 12 -3.293 5.997 -1.679 1.00 0.00 C ATOM 0 H LEU A 12 -5.999 1.932 -0.925 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.100 2.939 -3.517 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.350 4.027 -1.028 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.660 3.568 -0.958 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.529 4.673 -3.365 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.134 6.547 -3.612 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.980 4.982 -3.584 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.978 6.019 -2.137 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.033 6.858 -2.295 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.879 6.328 -0.822 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.381 5.512 -1.330 1.00 0.00 H new ATOM 191 N ILE A 13 -3.045 1.145 -1.635 1.00 0.00 N ATOM 192 CA ILE A 13 -1.809 0.317 -1.722 1.00 0.00 C ATOM 193 C ILE A 13 -1.986 -0.753 -2.802 1.00 0.00 C ATOM 194 O ILE A 13 -1.160 -0.904 -3.680 1.00 0.00 O ATOM 195 CB ILE A 13 -1.550 -0.357 -0.373 1.00 0.00 C ATOM 196 CG1 ILE A 13 -1.257 0.714 0.681 1.00 0.00 C ATOM 197 CG2 ILE A 13 -0.348 -1.296 -0.493 1.00 0.00 C ATOM 198 CD1 ILE A 13 -1.370 0.101 2.078 1.00 0.00 C ATOM 0 H ILE A 13 -3.479 1.182 -0.713 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.962 0.954 -1.978 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.429 -0.930 -0.077 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.258 1.122 0.531 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.958 1.542 0.578 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.164 -1.776 0.468 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.555 -2.057 -1.245 1.00 0.00 H new ATOM 0 HG23 ILE A 13 0.532 -0.725 -0.788 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.161 0.864 2.828 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.378 -0.286 2.225 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.651 -0.712 2.178 1.00 0.00 H new ATOM 210 N ARG A 14 -3.058 -1.495 -2.745 1.00 0.00 N ATOM 211 CA ARG A 14 -3.284 -2.552 -3.770 1.00 0.00 C ATOM 212 C ARG A 14 -3.200 -1.929 -5.165 1.00 0.00 C ATOM 213 O ARG A 14 -2.728 -2.543 -6.099 1.00 0.00 O ATOM 214 CB ARG A 14 -4.666 -3.176 -3.568 1.00 0.00 C ATOM 215 CG ARG A 14 -5.740 -2.100 -3.722 1.00 0.00 C ATOM 216 CD ARG A 14 -6.285 -2.123 -5.152 1.00 0.00 C ATOM 217 NE ARG A 14 -7.237 -0.993 -5.341 1.00 0.00 N ATOM 218 CZ ARG A 14 -8.382 -1.197 -5.933 1.00 0.00 C ATOM 219 NH1 ARG A 14 -9.110 -2.231 -5.606 1.00 0.00 N ATOM 220 NH2 ARG A 14 -8.801 -0.370 -6.851 1.00 0.00 N ATOM 0 H ARG A 14 -3.785 -1.415 -2.034 1.00 0.00 H new ATOM 0 HA ARG A 14 -2.523 -3.326 -3.670 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -4.827 -3.972 -4.295 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -4.730 -3.630 -2.579 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -6.548 -2.273 -3.011 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -5.322 -1.119 -3.497 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -5.465 -2.045 -5.866 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -6.787 -3.071 -5.346 1.00 0.00 H new ATOM 0 HE ARG A 14 -6.994 -0.060 -5.008 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -8.783 -2.878 -4.888 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -10.005 -2.391 -6.068 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -8.233 0.438 -7.107 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -9.696 -0.531 -7.313 1.00 0.00 H new ATOM 234 N GLN A 15 -3.651 -0.713 -5.314 1.00 0.00 N ATOM 235 CA GLN A 15 -3.591 -0.055 -6.649 1.00 0.00 C ATOM 236 C GLN A 15 -2.140 -0.019 -7.133 1.00 0.00 C ATOM 237 O GLN A 15 -1.794 -0.623 -8.129 1.00 0.00 O ATOM 238 CB GLN A 15 -4.127 1.374 -6.538 1.00 0.00 C ATOM 239 CG GLN A 15 -4.003 2.074 -7.893 1.00 0.00 C ATOM 240 CD GLN A 15 -5.279 1.843 -8.706 1.00 0.00 C ATOM 241 OE1 GLN A 15 -5.790 0.742 -8.758 1.00 0.00 O ATOM 242 NE2 GLN A 15 -5.818 2.843 -9.350 1.00 0.00 N ATOM 0 H GLN A 15 -4.058 -0.148 -4.569 1.00 0.00 H new ATOM 0 HA GLN A 15 -4.198 -0.616 -7.359 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -5.169 1.359 -6.219 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -3.570 1.925 -5.780 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -3.839 3.142 -7.749 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -3.139 1.689 -8.435 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -5.390 3.768 -9.307 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -6.667 2.699 -9.896 1.00 0.00 H new ATOM 251 N ALA A 16 -1.285 0.679 -6.433 1.00 0.00 N ATOM 252 CA ALA A 16 0.143 0.741 -6.858 1.00 0.00 C ATOM 253 C ALA A 16 0.667 -0.683 -7.035 1.00 0.00 C ATOM 254 O ALA A 16 1.399 -0.982 -7.957 1.00 0.00 O ATOM 255 CB ALA A 16 0.966 1.459 -5.784 1.00 0.00 C ATOM 0 H ALA A 16 -1.513 1.206 -5.590 1.00 0.00 H new ATOM 0 HA ALA A 16 0.227 1.286 -7.798 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.010 1.504 -6.095 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.584 2.471 -5.648 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.891 0.914 -4.843 1.00 0.00 H new ATOM 261 N ILE A 17 0.284 -1.565 -6.155 1.00 0.00 N ATOM 262 CA ILE A 17 0.736 -2.979 -6.256 1.00 0.00 C ATOM 263 C ILE A 17 0.112 -3.617 -7.498 1.00 0.00 C ATOM 264 O ILE A 17 0.754 -4.342 -8.231 1.00 0.00 O ATOM 265 CB ILE A 17 0.263 -3.737 -5.018 1.00 0.00 C ATOM 266 CG1 ILE A 17 0.998 -3.208 -3.781 1.00 0.00 C ATOM 267 CG2 ILE A 17 0.549 -5.230 -5.190 1.00 0.00 C ATOM 268 CD1 ILE A 17 2.441 -3.714 -3.781 1.00 0.00 C ATOM 0 H ILE A 17 -0.328 -1.364 -5.364 1.00 0.00 H new ATOM 0 HA ILE A 17 1.823 -3.018 -6.327 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.809 -3.589 -4.890 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.985 -2.118 -3.777 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.488 -3.536 -2.875 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.211 -5.770 -4.305 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.020 -5.603 -6.067 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.620 -5.383 -5.320 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.959 -3.335 -2.900 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.444 -4.804 -3.764 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.949 -3.364 -4.679 1.00 0.00 H new ATOM 280 N LEU A 18 -1.145 -3.353 -7.726 1.00 0.00 N ATOM 281 CA LEU A 18 -1.841 -3.935 -8.906 1.00 0.00 C ATOM 282 C LEU A 18 -1.094 -3.563 -10.188 1.00 0.00 C ATOM 283 O LEU A 18 -1.107 -4.294 -11.158 1.00 0.00 O ATOM 284 CB LEU A 18 -3.269 -3.384 -8.963 1.00 0.00 C ATOM 285 CG LEU A 18 -4.268 -4.522 -8.754 1.00 0.00 C ATOM 286 CD1 LEU A 18 -5.631 -3.939 -8.375 1.00 0.00 C ATOM 287 CD2 LEU A 18 -4.403 -5.329 -10.048 1.00 0.00 C ATOM 0 H LEU A 18 -1.724 -2.753 -7.139 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.867 -5.021 -8.816 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.406 -2.621 -8.196 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.446 -2.904 -9.925 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.914 -5.173 -7.955 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.345 -4.749 -8.226 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.537 -3.364 -7.454 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.984 -3.288 -9.175 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.115 -6.140 -9.898 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.757 -4.678 -10.847 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.433 -5.744 -10.321 1.00 0.00 H new ATOM 299 N GLU A 19 -0.445 -2.432 -10.205 1.00 0.00 N ATOM 300 CA GLU A 19 0.296 -2.019 -11.430 1.00 0.00 C ATOM 301 C GLU A 19 1.338 -3.083 -11.786 1.00 0.00 C ATOM 302 O GLU A 19 1.794 -3.166 -12.908 1.00 0.00 O ATOM 303 CB GLU A 19 0.998 -0.683 -11.179 1.00 0.00 C ATOM 304 CG GLU A 19 1.840 -0.314 -12.402 1.00 0.00 C ATOM 305 CD GLU A 19 1.371 1.033 -12.958 1.00 0.00 C ATOM 306 OE1 GLU A 19 1.659 2.041 -12.335 1.00 0.00 O ATOM 307 OE2 GLU A 19 0.734 1.032 -13.998 1.00 0.00 O ATOM 0 H GLU A 19 -0.396 -1.777 -9.425 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.407 -1.911 -12.256 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.262 0.096 -10.982 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.632 -0.753 -10.295 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.894 -0.259 -12.128 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.749 -1.086 -13.166 1.00 0.00 H new ATOM 314 N SER A 20 1.720 -3.898 -10.840 1.00 0.00 N ATOM 315 CA SER A 20 2.734 -4.951 -11.130 1.00 0.00 C ATOM 316 C SER A 20 2.042 -6.177 -11.737 1.00 0.00 C ATOM 317 O SER A 20 0.848 -6.347 -11.593 1.00 0.00 O ATOM 318 CB SER A 20 3.438 -5.352 -9.833 1.00 0.00 C ATOM 319 OG SER A 20 2.729 -6.424 -9.226 1.00 0.00 O ATOM 0 H SER A 20 1.374 -3.880 -9.881 1.00 0.00 H new ATOM 0 HA SER A 20 3.468 -4.563 -11.837 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.465 -5.652 -10.041 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.485 -4.501 -9.153 1.00 0.00 H new ATOM 0 HG SER A 20 2.226 -6.089 -8.454 1.00 0.00 H new ATOM 325 N PRO A 21 2.820 -6.995 -12.400 1.00 0.00 N ATOM 326 CA PRO A 21 2.317 -8.220 -13.049 1.00 0.00 C ATOM 327 C PRO A 21 2.109 -9.329 -12.012 1.00 0.00 C ATOM 328 O PRO A 21 1.362 -10.263 -12.230 1.00 0.00 O ATOM 329 CB PRO A 21 3.434 -8.589 -14.030 1.00 0.00 C ATOM 330 CG PRO A 21 4.722 -7.915 -13.500 1.00 0.00 C ATOM 331 CD PRO A 21 4.271 -6.775 -12.566 1.00 0.00 C ATOM 0 HA PRO A 21 1.354 -8.082 -13.540 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.558 -9.670 -14.089 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.199 -8.240 -15.035 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.342 -8.633 -12.963 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.323 -7.527 -14.323 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.792 -6.814 -11.609 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.478 -5.798 -13.002 1.00 0.00 H new ATOM 339 N GLU A 22 2.760 -9.232 -10.885 1.00 0.00 N ATOM 340 CA GLU A 22 2.600 -10.270 -9.836 1.00 0.00 C ATOM 341 C GLU A 22 1.991 -9.633 -8.585 1.00 0.00 C ATOM 342 O GLU A 22 2.128 -10.134 -7.489 1.00 0.00 O ATOM 343 CB GLU A 22 3.968 -10.866 -9.494 1.00 0.00 C ATOM 344 CG GLU A 22 4.528 -11.598 -10.715 1.00 0.00 C ATOM 345 CD GLU A 22 5.297 -12.837 -10.257 1.00 0.00 C ATOM 346 OE1 GLU A 22 6.221 -12.682 -9.475 1.00 0.00 O ATOM 347 OE2 GLU A 22 4.949 -13.921 -10.695 1.00 0.00 O ATOM 0 H GLU A 22 3.399 -8.473 -10.648 1.00 0.00 H new ATOM 0 HA GLU A 22 1.943 -11.060 -10.200 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.653 -10.076 -9.185 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.876 -11.555 -8.655 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.717 -11.887 -11.383 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.185 -10.937 -11.279 1.00 0.00 H new ATOM 354 N LYS A 23 1.310 -8.536 -8.747 1.00 0.00 N ATOM 355 CA LYS A 23 0.682 -7.858 -7.590 1.00 0.00 C ATOM 356 C LYS A 23 1.658 -7.811 -6.412 1.00 0.00 C ATOM 357 O LYS A 23 1.261 -7.854 -5.264 1.00 0.00 O ATOM 358 CB LYS A 23 -0.585 -8.607 -7.193 1.00 0.00 C ATOM 359 CG LYS A 23 -1.167 -9.343 -8.405 1.00 0.00 C ATOM 360 CD LYS A 23 -2.695 -9.279 -8.359 1.00 0.00 C ATOM 361 CE LYS A 23 -3.268 -9.774 -9.688 1.00 0.00 C ATOM 362 NZ LYS A 23 -4.142 -10.957 -9.444 1.00 0.00 N ATOM 0 H LYS A 23 1.162 -8.077 -9.646 1.00 0.00 H new ATOM 0 HA LYS A 23 0.425 -6.836 -7.867 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.361 -9.319 -6.399 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.320 -7.907 -6.796 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.802 -8.891 -9.327 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.836 -10.382 -8.406 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.070 -9.891 -7.539 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.021 -8.256 -8.169 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.839 -8.980 -10.168 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.459 -10.041 -10.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.531 -11.293 -10.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.584 -11.716 -9.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.921 -10.688 -8.810 1.00 0.00 H new ATOM 376 N GLN A 24 2.926 -7.697 -6.691 1.00 0.00 N ATOM 377 CA GLN A 24 3.942 -7.618 -5.599 1.00 0.00 C ATOM 378 C GLN A 24 4.861 -6.429 -5.857 1.00 0.00 C ATOM 379 O GLN A 24 5.286 -6.197 -6.971 1.00 0.00 O ATOM 380 CB GLN A 24 4.802 -8.891 -5.540 1.00 0.00 C ATOM 381 CG GLN A 24 4.582 -9.777 -6.773 1.00 0.00 C ATOM 382 CD GLN A 24 5.918 -10.388 -7.200 1.00 0.00 C ATOM 383 OE1 GLN A 24 6.681 -9.768 -7.916 1.00 0.00 O ATOM 384 NE2 GLN A 24 6.237 -11.585 -6.791 1.00 0.00 N ATOM 0 H GLN A 24 3.307 -7.655 -7.636 1.00 0.00 H new ATOM 0 HA GLN A 24 3.413 -7.507 -4.653 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.855 -8.617 -5.471 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.559 -9.454 -4.639 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.864 -10.565 -6.545 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.161 -9.188 -7.588 1.00 0.00 H new ATOM 0 HE21 GLN A 24 5.598 -12.106 -6.190 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.125 -12.000 -7.072 1.00 0.00 H new ATOM 393 N LEU A 25 5.183 -5.673 -4.844 1.00 0.00 N ATOM 394 CA LEU A 25 6.079 -4.518 -5.069 1.00 0.00 C ATOM 395 C LEU A 25 6.792 -4.121 -3.775 1.00 0.00 C ATOM 396 O LEU A 25 6.197 -4.061 -2.720 1.00 0.00 O ATOM 397 CB LEU A 25 5.261 -3.340 -5.585 1.00 0.00 C ATOM 398 CG LEU A 25 5.214 -3.359 -7.114 1.00 0.00 C ATOM 399 CD1 LEU A 25 4.560 -2.072 -7.618 1.00 0.00 C ATOM 400 CD2 LEU A 25 6.633 -3.457 -7.677 1.00 0.00 C ATOM 0 H LEU A 25 4.866 -5.807 -3.884 1.00 0.00 H new ATOM 0 HA LEU A 25 6.833 -4.798 -5.804 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.249 -3.386 -5.182 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.699 -2.404 -5.239 1.00 0.00 H new ATOM 0 HG LEU A 25 4.635 -4.222 -7.443 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.526 -2.084 -8.707 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.546 -2.000 -7.224 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.141 -1.213 -7.283 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.592 -3.470 -8.766 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.216 -2.597 -7.346 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.103 -4.373 -7.321 1.00 0.00 H new ATOM 412 N THR A 26 8.068 -3.856 -3.854 1.00 0.00 N ATOM 413 CA THR A 26 8.834 -3.473 -2.633 1.00 0.00 C ATOM 414 C THR A 26 8.248 -2.201 -2.021 1.00 0.00 C ATOM 415 O THR A 26 7.550 -1.446 -2.671 1.00 0.00 O ATOM 416 CB THR A 26 10.295 -3.215 -3.010 1.00 0.00 C ATOM 417 OG1 THR A 26 10.373 -2.041 -3.807 1.00 0.00 O ATOM 418 CG2 THR A 26 10.841 -4.407 -3.795 1.00 0.00 C ATOM 0 H THR A 26 8.615 -3.888 -4.714 1.00 0.00 H new ATOM 0 HA THR A 26 8.771 -4.285 -1.908 1.00 0.00 H new ATOM 0 HB THR A 26 10.888 -3.081 -2.105 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.174 -2.265 -4.740 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.881 -4.221 -4.062 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.779 -5.306 -3.181 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.253 -4.546 -4.702 1.00 0.00 H new ATOM 426 N LEU A 27 8.537 -1.954 -0.771 1.00 0.00 N ATOM 427 CA LEU A 27 8.010 -0.729 -0.113 1.00 0.00 C ATOM 428 C LEU A 27 8.508 0.498 -0.873 1.00 0.00 C ATOM 429 O LEU A 27 7.798 1.469 -1.035 1.00 0.00 O ATOM 430 CB LEU A 27 8.504 -0.670 1.333 1.00 0.00 C ATOM 431 CG LEU A 27 10.009 -0.939 1.374 1.00 0.00 C ATOM 432 CD1 LEU A 27 10.749 0.344 1.752 1.00 0.00 C ATOM 433 CD2 LEU A 27 10.303 -2.020 2.416 1.00 0.00 C ATOM 0 H LEU A 27 9.116 -2.550 -0.179 1.00 0.00 H new ATOM 0 HA LEU A 27 6.920 -0.749 -0.119 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.288 0.308 1.762 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.976 -1.407 1.938 1.00 0.00 H new ATOM 0 HG LEU A 27 10.344 -1.275 0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 27 11.821 0.151 1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.539 1.116 1.012 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.415 0.681 2.733 1.00 0.00 H new ATOM 0 HD21 LEU A 27 11.375 -2.213 2.447 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.967 -1.682 3.396 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.777 -2.936 2.148 1.00 0.00 H new ATOM 445 N ASN A 28 9.728 0.462 -1.343 1.00 0.00 N ATOM 446 CA ASN A 28 10.261 1.632 -2.095 1.00 0.00 C ATOM 447 C ASN A 28 9.268 2.021 -3.193 1.00 0.00 C ATOM 448 O ASN A 28 8.914 3.172 -3.345 1.00 0.00 O ATOM 449 CB ASN A 28 11.606 1.268 -2.727 1.00 0.00 C ATOM 450 CG ASN A 28 12.684 2.229 -2.221 1.00 0.00 C ATOM 451 OD1 ASN A 28 13.266 2.011 -1.177 1.00 0.00 O ATOM 452 ND2 ASN A 28 12.975 3.292 -2.921 1.00 0.00 N ATOM 0 H ASN A 28 10.373 -0.322 -1.239 1.00 0.00 H new ATOM 0 HA ASN A 28 10.400 2.471 -1.413 1.00 0.00 H new ATOM 0 HB2 ASN A 28 11.872 0.241 -2.476 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.536 1.322 -3.813 1.00 0.00 H new ATOM 0 HD21 ASN A 28 13.691 3.939 -2.591 1.00 0.00 H new ATOM 0 HD22 ASN A 28 12.486 3.475 -3.797 1.00 0.00 H new ATOM 459 N GLU A 29 8.813 1.065 -3.958 1.00 0.00 N ATOM 460 CA GLU A 29 7.841 1.378 -5.044 1.00 0.00 C ATOM 461 C GLU A 29 6.604 2.057 -4.450 1.00 0.00 C ATOM 462 O GLU A 29 6.019 2.937 -5.051 1.00 0.00 O ATOM 463 CB GLU A 29 7.422 0.082 -5.741 1.00 0.00 C ATOM 464 CG GLU A 29 8.206 -0.073 -7.045 1.00 0.00 C ATOM 465 CD GLU A 29 9.370 -1.041 -6.829 1.00 0.00 C ATOM 466 OE1 GLU A 29 9.229 -1.932 -6.007 1.00 0.00 O ATOM 467 OE2 GLU A 29 10.383 -0.875 -7.488 1.00 0.00 O ATOM 0 H GLU A 29 9.072 0.082 -3.878 1.00 0.00 H new ATOM 0 HA GLU A 29 8.310 2.047 -5.765 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.609 -0.771 -5.089 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.352 0.097 -5.947 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.551 -0.445 -7.833 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.581 0.896 -7.373 1.00 0.00 H new ATOM 474 N ILE A 30 6.194 1.653 -3.277 1.00 0.00 N ATOM 475 CA ILE A 30 4.989 2.278 -2.656 1.00 0.00 C ATOM 476 C ILE A 30 5.363 3.640 -2.060 1.00 0.00 C ATOM 477 O ILE A 30 4.576 4.564 -2.060 1.00 0.00 O ATOM 478 CB ILE A 30 4.456 1.369 -1.548 1.00 0.00 C ATOM 479 CG1 ILE A 30 4.300 -0.054 -2.088 1.00 0.00 C ATOM 480 CG2 ILE A 30 3.096 1.884 -1.074 1.00 0.00 C ATOM 481 CD1 ILE A 30 4.003 -1.008 -0.929 1.00 0.00 C ATOM 0 H ILE A 30 6.639 0.921 -2.724 1.00 0.00 H new ATOM 0 HA ILE A 30 4.221 2.414 -3.418 1.00 0.00 H new ATOM 0 HB ILE A 30 5.156 1.368 -0.712 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.493 -0.091 -2.820 1.00 0.00 H new ATOM 0 HG13 ILE A 30 5.211 -0.361 -2.602 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.717 1.236 -0.284 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.205 2.898 -0.690 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.396 1.886 -1.910 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.892 -2.022 -1.312 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.825 -0.979 -0.214 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.081 -0.704 -0.434 1.00 0.00 H new ATOM 493 N TYR A 31 6.557 3.767 -1.551 1.00 0.00 N ATOM 494 CA TYR A 31 6.988 5.060 -0.950 1.00 0.00 C ATOM 495 C TYR A 31 7.098 6.120 -2.047 1.00 0.00 C ATOM 496 O TYR A 31 6.444 7.143 -2.003 1.00 0.00 O ATOM 497 CB TYR A 31 8.351 4.870 -0.277 1.00 0.00 C ATOM 498 CG TYR A 31 8.793 6.161 0.375 1.00 0.00 C ATOM 499 CD1 TYR A 31 7.842 7.085 0.826 1.00 0.00 C ATOM 500 CD2 TYR A 31 10.157 6.432 0.529 1.00 0.00 C ATOM 501 CE1 TYR A 31 8.257 8.278 1.432 1.00 0.00 C ATOM 502 CE2 TYR A 31 10.572 7.624 1.134 1.00 0.00 C ATOM 503 CZ TYR A 31 9.622 8.548 1.586 1.00 0.00 C ATOM 504 OH TYR A 31 10.031 9.724 2.182 1.00 0.00 O ATOM 0 H TYR A 31 7.257 3.026 -1.526 1.00 0.00 H new ATOM 0 HA TYR A 31 6.257 5.385 -0.209 1.00 0.00 H new ATOM 0 HB2 TYR A 31 8.289 4.079 0.470 1.00 0.00 H new ATOM 0 HB3 TYR A 31 9.089 4.555 -1.015 1.00 0.00 H new ATOM 0 HD1 TYR A 31 6.789 6.878 0.707 1.00 0.00 H new ATOM 0 HD2 TYR A 31 10.891 5.720 0.181 1.00 0.00 H new ATOM 0 HE1 TYR A 31 7.523 8.990 1.781 1.00 0.00 H new ATOM 0 HE2 TYR A 31 11.625 7.831 1.252 1.00 0.00 H new ATOM 0 HH TYR A 31 11.010 9.753 2.211 1.00 0.00 H new ATOM 514 N ASN A 32 7.920 5.884 -3.033 1.00 0.00 N ATOM 515 CA ASN A 32 8.066 6.882 -4.131 1.00 0.00 C ATOM 516 C ASN A 32 6.716 7.065 -4.828 1.00 0.00 C ATOM 517 O ASN A 32 6.225 8.166 -4.977 1.00 0.00 O ATOM 518 CB ASN A 32 9.101 6.383 -5.142 1.00 0.00 C ATOM 519 CG ASN A 32 8.945 4.872 -5.331 1.00 0.00 C ATOM 520 OD1 ASN A 32 7.886 4.327 -5.099 1.00 0.00 O ATOM 521 ND2 ASN A 32 9.963 4.171 -5.747 1.00 0.00 N ATOM 0 H ASN A 32 8.495 5.047 -3.126 1.00 0.00 H new ATOM 0 HA ASN A 32 8.397 7.835 -3.718 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.969 6.895 -6.095 1.00 0.00 H new ATOM 0 HB3 ASN A 32 10.107 6.614 -4.792 1.00 0.00 H new ATOM 0 HD21 ASN A 32 9.869 3.164 -5.878 1.00 0.00 H new ATOM 0 HD22 ASN A 32 10.853 4.630 -5.942 1.00 0.00 H new ATOM 528 N TRP A 33 6.115 5.990 -5.257 1.00 0.00 N ATOM 529 CA TRP A 33 4.799 6.090 -5.948 1.00 0.00 C ATOM 530 C TRP A 33 3.810 6.866 -5.074 1.00 0.00 C ATOM 531 O TRP A 33 3.081 7.714 -5.550 1.00 0.00 O ATOM 532 CB TRP A 33 4.255 4.681 -6.201 1.00 0.00 C ATOM 533 CG TRP A 33 2.905 4.770 -6.835 1.00 0.00 C ATOM 534 CD1 TRP A 33 2.674 4.799 -8.167 1.00 0.00 C ATOM 535 CD2 TRP A 33 1.599 4.837 -6.191 1.00 0.00 C ATOM 536 NE1 TRP A 33 1.310 4.881 -8.383 1.00 0.00 N ATOM 537 CE2 TRP A 33 0.605 4.908 -7.196 1.00 0.00 C ATOM 538 CE3 TRP A 33 1.184 4.844 -4.848 1.00 0.00 C ATOM 539 CZ2 TRP A 33 -0.753 4.982 -6.879 1.00 0.00 C ATOM 540 CZ3 TRP A 33 -0.181 4.920 -4.524 1.00 0.00 C ATOM 541 CH2 TRP A 33 -1.147 4.989 -5.538 1.00 0.00 C ATOM 0 H TRP A 33 6.480 5.043 -5.158 1.00 0.00 H new ATOM 0 HA TRP A 33 4.927 6.613 -6.895 1.00 0.00 H new ATOM 0 HB2 TRP A 33 4.936 4.128 -6.848 1.00 0.00 H new ATOM 0 HB3 TRP A 33 4.191 4.131 -5.262 1.00 0.00 H new ATOM 0 HD1 TRP A 33 3.431 4.764 -8.937 1.00 0.00 H new ATOM 0 HE1 TRP A 33 0.878 4.917 -9.306 1.00 0.00 H new ATOM 0 HE3 TRP A 33 1.920 4.791 -4.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -1.493 5.033 -7.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.488 4.925 -3.489 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -2.195 5.048 -5.283 1.00 0.00 H new ATOM 552 N PHE A 34 3.773 6.581 -3.800 1.00 0.00 N ATOM 553 CA PHE A 34 2.821 7.300 -2.904 1.00 0.00 C ATOM 554 C PHE A 34 2.927 8.812 -3.123 1.00 0.00 C ATOM 555 O PHE A 34 1.952 9.474 -3.421 1.00 0.00 O ATOM 556 CB PHE A 34 3.151 6.978 -1.445 1.00 0.00 C ATOM 557 CG PHE A 34 2.089 6.067 -0.881 1.00 0.00 C ATOM 558 CD1 PHE A 34 1.874 4.806 -1.448 1.00 0.00 C ATOM 559 CD2 PHE A 34 1.318 6.484 0.211 1.00 0.00 C ATOM 560 CE1 PHE A 34 0.888 3.961 -0.924 1.00 0.00 C ATOM 561 CE2 PHE A 34 0.332 5.640 0.736 1.00 0.00 C ATOM 562 CZ PHE A 34 0.117 4.379 0.168 1.00 0.00 C ATOM 0 H PHE A 34 4.359 5.883 -3.342 1.00 0.00 H new ATOM 0 HA PHE A 34 1.806 6.976 -3.135 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.128 6.500 -1.379 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.205 7.897 -0.861 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.469 4.484 -2.290 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.484 7.457 0.649 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.722 2.988 -1.362 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.262 5.962 1.579 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.644 3.728 0.572 1.00 0.00 H new ATOM 572 N THR A 35 4.096 9.367 -2.965 1.00 0.00 N ATOM 573 CA THR A 35 4.254 10.839 -3.151 1.00 0.00 C ATOM 574 C THR A 35 4.137 11.201 -4.635 1.00 0.00 C ATOM 575 O THR A 35 3.531 12.191 -4.994 1.00 0.00 O ATOM 576 CB THR A 35 5.625 11.275 -2.626 1.00 0.00 C ATOM 577 OG1 THR A 35 5.656 12.691 -2.513 1.00 0.00 O ATOM 578 CG2 THR A 35 6.718 10.814 -3.592 1.00 0.00 C ATOM 0 H THR A 35 4.949 8.867 -2.715 1.00 0.00 H new ATOM 0 HA THR A 35 3.467 11.353 -2.598 1.00 0.00 H new ATOM 0 HB THR A 35 5.799 10.826 -1.648 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.532 12.973 -2.176 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.692 11.126 -3.215 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.693 9.728 -3.678 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.549 11.259 -4.572 1.00 0.00 H new ATOM 586 N ARG A 36 4.717 10.416 -5.500 1.00 0.00 N ATOM 587 CA ARG A 36 4.643 10.727 -6.958 1.00 0.00 C ATOM 588 C ARG A 36 3.180 10.807 -7.402 1.00 0.00 C ATOM 589 O ARG A 36 2.819 11.611 -8.239 1.00 0.00 O ATOM 590 CB ARG A 36 5.358 9.629 -7.749 1.00 0.00 C ATOM 591 CG ARG A 36 6.259 10.267 -8.809 1.00 0.00 C ATOM 592 CD ARG A 36 5.427 11.201 -9.690 1.00 0.00 C ATOM 593 NE ARG A 36 5.882 11.086 -11.103 1.00 0.00 N ATOM 594 CZ ARG A 36 5.017 11.170 -12.076 1.00 0.00 C ATOM 595 NH1 ARG A 36 4.272 10.143 -12.380 1.00 0.00 N ATOM 596 NH2 ARG A 36 4.900 12.283 -12.749 1.00 0.00 N ATOM 0 H ARG A 36 5.239 9.573 -5.262 1.00 0.00 H new ATOM 0 HA ARG A 36 5.125 11.687 -7.145 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.952 9.010 -7.077 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.628 8.974 -8.224 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.065 10.823 -8.330 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.725 9.493 -9.419 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.370 10.944 -9.615 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.530 12.230 -9.346 1.00 0.00 H new ATOM 0 HE ARG A 36 6.870 10.942 -11.310 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.365 9.273 -11.857 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.596 10.211 -13.141 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.484 13.085 -12.514 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.224 12.350 -13.510 1.00 0.00 H new ATOM 610 N MET A 37 2.336 9.978 -6.854 1.00 0.00 N ATOM 611 CA MET A 37 0.899 10.004 -7.247 1.00 0.00 C ATOM 612 C MET A 37 0.220 11.223 -6.621 1.00 0.00 C ATOM 613 O MET A 37 -0.586 11.885 -7.246 1.00 0.00 O ATOM 614 CB MET A 37 0.213 8.728 -6.753 1.00 0.00 C ATOM 615 CG MET A 37 -0.451 8.014 -7.932 1.00 0.00 C ATOM 616 SD MET A 37 -1.485 9.187 -8.842 1.00 0.00 S ATOM 617 CE MET A 37 -2.590 7.971 -9.600 1.00 0.00 C ATOM 0 H MET A 37 2.580 9.282 -6.149 1.00 0.00 H new ATOM 0 HA MET A 37 0.820 10.063 -8.333 1.00 0.00 H new ATOM 0 HB2 MET A 37 0.943 8.070 -6.280 1.00 0.00 H new ATOM 0 HB3 MET A 37 -0.532 8.973 -5.996 1.00 0.00 H new ATOM 0 HG2 MET A 37 0.309 7.595 -8.592 1.00 0.00 H new ATOM 0 HG3 MET A 37 -1.056 7.182 -7.573 1.00 0.00 H new ATOM 0 HE1 MET A 37 -3.326 8.484 -10.219 1.00 0.00 H new ATOM 0 HE2 MET A 37 -2.009 7.287 -10.218 1.00 0.00 H new ATOM 0 HE3 MET A 37 -3.102 7.408 -8.819 1.00 0.00 H new ATOM 627 N PHE A 38 0.537 11.526 -5.393 1.00 0.00 N ATOM 628 CA PHE A 38 -0.093 12.702 -4.732 1.00 0.00 C ATOM 629 C PHE A 38 0.980 13.499 -3.979 1.00 0.00 C ATOM 630 O PHE A 38 1.786 12.928 -3.271 1.00 0.00 O ATOM 631 CB PHE A 38 -1.156 12.221 -3.743 1.00 0.00 C ATOM 632 CG PHE A 38 -1.881 11.030 -4.320 1.00 0.00 C ATOM 633 CD1 PHE A 38 -2.847 11.215 -5.316 1.00 0.00 C ATOM 634 CD2 PHE A 38 -1.590 9.740 -3.859 1.00 0.00 C ATOM 635 CE1 PHE A 38 -3.522 10.113 -5.852 1.00 0.00 C ATOM 636 CE2 PHE A 38 -2.264 8.637 -4.395 1.00 0.00 C ATOM 637 CZ PHE A 38 -3.231 8.822 -5.390 1.00 0.00 C ATOM 0 H PHE A 38 1.204 11.010 -4.819 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.558 13.338 -5.486 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.690 11.952 -2.795 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.863 13.024 -3.534 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.072 12.210 -5.671 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.845 9.596 -3.090 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.267 10.257 -6.621 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.038 7.642 -4.041 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.753 7.971 -5.802 1.00 0.00 H new ATOM 647 N PRO A 39 0.958 14.798 -4.149 1.00 0.00 N ATOM 648 CA PRO A 39 1.919 15.697 -3.490 1.00 0.00 C ATOM 649 C PRO A 39 1.511 15.928 -2.033 1.00 0.00 C ATOM 650 O PRO A 39 2.274 16.433 -1.235 1.00 0.00 O ATOM 651 CB PRO A 39 1.813 16.994 -4.298 1.00 0.00 C ATOM 652 CG PRO A 39 0.427 16.963 -4.987 1.00 0.00 C ATOM 653 CD PRO A 39 -0.022 15.490 -5.011 1.00 0.00 C ATOM 0 HA PRO A 39 2.934 15.300 -3.466 1.00 0.00 H new ATOM 0 HB2 PRO A 39 1.906 17.865 -3.649 1.00 0.00 H new ATOM 0 HB3 PRO A 39 2.613 17.059 -5.036 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -0.290 17.577 -4.442 1.00 0.00 H new ATOM 0 HG3 PRO A 39 0.488 17.366 -5.998 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.037 15.377 -4.630 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.015 15.088 -6.024 1.00 0.00 H new ATOM 661 N TYR A 40 0.309 15.560 -1.684 1.00 0.00 N ATOM 662 CA TYR A 40 -0.154 15.756 -0.282 1.00 0.00 C ATOM 663 C TYR A 40 0.644 14.842 0.650 1.00 0.00 C ATOM 664 O TYR A 40 0.727 15.071 1.840 1.00 0.00 O ATOM 665 CB TYR A 40 -1.641 15.411 -0.188 1.00 0.00 C ATOM 666 CG TYR A 40 -2.059 15.361 1.261 1.00 0.00 C ATOM 667 CD1 TYR A 40 -1.858 14.194 2.008 1.00 0.00 C ATOM 668 CD2 TYR A 40 -2.648 16.482 1.859 1.00 0.00 C ATOM 669 CE1 TYR A 40 -2.246 14.148 3.353 1.00 0.00 C ATOM 670 CE2 TYR A 40 -3.037 16.436 3.203 1.00 0.00 C ATOM 671 CZ TYR A 40 -2.835 15.268 3.950 1.00 0.00 C ATOM 672 OH TYR A 40 -3.219 15.222 5.275 1.00 0.00 O ATOM 0 H TYR A 40 -0.373 15.132 -2.310 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.002 16.794 0.012 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.232 16.155 -0.722 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.832 14.450 -0.665 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.404 13.329 1.547 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -2.802 17.382 1.283 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -2.091 13.248 3.929 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.492 17.300 3.664 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.610 16.083 5.532 1.00 0.00 H new ATOM 682 N PHE A 41 1.234 13.807 0.116 1.00 0.00 N ATOM 683 CA PHE A 41 2.027 12.880 0.970 1.00 0.00 C ATOM 684 C PHE A 41 3.376 13.519 1.303 1.00 0.00 C ATOM 685 O PHE A 41 4.140 13.001 2.096 1.00 0.00 O ATOM 686 CB PHE A 41 2.258 11.569 0.216 1.00 0.00 C ATOM 687 CG PHE A 41 1.201 10.566 0.614 1.00 0.00 C ATOM 688 CD1 PHE A 41 1.196 10.031 1.908 1.00 0.00 C ATOM 689 CD2 PHE A 41 0.226 10.172 -0.312 1.00 0.00 C ATOM 690 CE1 PHE A 41 0.216 9.101 2.276 1.00 0.00 C ATOM 691 CE2 PHE A 41 -0.753 9.243 0.058 1.00 0.00 C ATOM 692 CZ PHE A 41 -0.758 8.707 1.351 1.00 0.00 C ATOM 0 H PHE A 41 1.201 13.564 -0.874 1.00 0.00 H new ATOM 0 HA PHE A 41 1.483 12.681 1.893 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.222 11.744 -0.859 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.250 11.177 0.442 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.947 10.335 2.622 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.230 10.585 -1.310 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.212 8.688 3.274 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.505 8.939 -0.655 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.513 7.989 1.635 1.00 0.00 H new ATOM 702 N ARG A 42 3.678 14.639 0.706 1.00 0.00 N ATOM 703 CA ARG A 42 4.978 15.309 0.990 1.00 0.00 C ATOM 704 C ARG A 42 4.788 16.338 2.105 1.00 0.00 C ATOM 705 O ARG A 42 5.390 17.392 2.099 1.00 0.00 O ATOM 706 CB ARG A 42 5.474 16.012 -0.274 1.00 0.00 C ATOM 707 CG ARG A 42 6.981 16.257 -0.166 1.00 0.00 C ATOM 708 CD ARG A 42 7.720 15.337 -1.140 1.00 0.00 C ATOM 709 NE ARG A 42 9.150 15.744 -1.220 1.00 0.00 N ATOM 710 CZ ARG A 42 9.625 16.249 -2.327 1.00 0.00 C ATOM 711 NH1 ARG A 42 9.527 17.531 -2.553 1.00 0.00 N ATOM 712 NH2 ARG A 42 10.197 15.473 -3.206 1.00 0.00 N ATOM 0 H ARG A 42 3.080 15.119 0.033 1.00 0.00 H new ATOM 0 HA ARG A 42 5.710 14.565 1.304 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.256 15.402 -1.151 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.950 16.959 -0.406 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.208 17.299 -0.391 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.318 16.070 0.854 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.644 14.302 -0.808 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.260 15.390 -2.127 1.00 0.00 H new ATOM 0 HE ARG A 42 9.759 15.628 -0.410 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.080 18.137 -1.865 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.898 17.926 -3.417 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.273 14.471 -3.029 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.568 15.868 -4.070 1.00 0.00 H new ATOM 726 N ARG A 43 3.953 16.040 3.064 1.00 0.00 N ATOM 727 CA ARG A 43 3.725 17.001 4.178 1.00 0.00 C ATOM 728 C ARG A 43 3.728 16.247 5.510 1.00 0.00 C ATOM 729 O ARG A 43 4.439 16.597 6.431 1.00 0.00 O ATOM 730 CB ARG A 43 2.372 17.691 3.986 1.00 0.00 C ATOM 731 CG ARG A 43 2.400 19.068 4.652 1.00 0.00 C ATOM 732 CD ARG A 43 1.021 19.720 4.535 1.00 0.00 C ATOM 733 NE ARG A 43 1.031 20.706 3.420 1.00 0.00 N ATOM 734 CZ ARG A 43 0.583 21.917 3.615 1.00 0.00 C ATOM 735 NH1 ARG A 43 -0.680 22.184 3.421 1.00 0.00 N ATOM 736 NH2 ARG A 43 1.398 22.860 4.001 1.00 0.00 N ATOM 0 H ARG A 43 3.420 15.173 3.123 1.00 0.00 H new ATOM 0 HA ARG A 43 4.518 17.749 4.182 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.152 17.794 2.923 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.577 17.083 4.418 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.680 18.971 5.701 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.153 19.698 4.178 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.261 18.959 4.355 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.761 20.215 5.470 1.00 0.00 H new ATOM 0 HE ARG A 43 1.388 20.436 2.503 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.316 21.447 3.117 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.031 23.130 3.573 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.385 22.651 4.150 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.048 23.806 4.153 1.00 0.00 H new ATOM 750 N ASN A 44 2.941 15.211 5.616 1.00 0.00 N ATOM 751 CA ASN A 44 2.901 14.433 6.886 1.00 0.00 C ATOM 752 C ASN A 44 3.258 12.974 6.596 1.00 0.00 C ATOM 753 O ASN A 44 2.559 12.062 6.990 1.00 0.00 O ATOM 754 CB ASN A 44 1.494 14.503 7.484 1.00 0.00 C ATOM 755 CG ASN A 44 1.204 15.934 7.943 1.00 0.00 C ATOM 756 OD1 ASN A 44 1.650 16.883 7.331 1.00 0.00 O ATOM 757 ND2 ASN A 44 0.471 16.128 9.005 1.00 0.00 N ATOM 0 H ASN A 44 2.325 14.870 4.878 1.00 0.00 H new ATOM 0 HA ASN A 44 3.617 14.852 7.593 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.757 14.191 6.744 1.00 0.00 H new ATOM 0 HB3 ASN A 44 1.411 13.816 8.326 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.273 17.077 9.321 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.096 15.330 9.519 1.00 0.00 H new ATOM 764 N ALA A 45 4.342 12.748 5.905 1.00 0.00 N ATOM 765 CA ALA A 45 4.743 11.350 5.584 1.00 0.00 C ATOM 766 C ALA A 45 5.233 10.649 6.852 1.00 0.00 C ATOM 767 O ALA A 45 5.513 9.467 6.849 1.00 0.00 O ATOM 768 CB ALA A 45 5.866 11.368 4.544 1.00 0.00 C ATOM 0 H ALA A 45 4.967 13.471 5.549 1.00 0.00 H new ATOM 0 HA ALA A 45 3.884 10.811 5.184 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.160 10.345 4.308 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.515 11.862 3.638 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.724 11.909 4.944 1.00 0.00 H new ATOM 774 N ALA A 46 5.339 11.366 7.937 1.00 0.00 N ATOM 775 CA ALA A 46 5.811 10.736 9.202 1.00 0.00 C ATOM 776 C ALA A 46 4.649 10.002 9.872 1.00 0.00 C ATOM 777 O ALA A 46 4.845 9.126 10.691 1.00 0.00 O ATOM 778 CB ALA A 46 6.341 11.819 10.144 1.00 0.00 C ATOM 0 H ALA A 46 5.119 12.360 8.002 1.00 0.00 H new ATOM 0 HA ALA A 46 6.608 10.026 8.979 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.686 11.359 11.070 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.170 12.342 9.667 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.544 12.529 10.367 1.00 0.00 H new ATOM 784 N THR A 47 3.439 10.358 9.538 1.00 0.00 N ATOM 785 CA THR A 47 2.265 9.683 10.164 1.00 0.00 C ATOM 786 C THR A 47 1.888 8.432 9.364 1.00 0.00 C ATOM 787 O THR A 47 1.703 7.366 9.914 1.00 0.00 O ATOM 788 CB THR A 47 1.077 10.649 10.185 1.00 0.00 C ATOM 789 OG1 THR A 47 1.516 11.928 10.621 1.00 0.00 O ATOM 790 CG2 THR A 47 0.006 10.120 11.139 1.00 0.00 C ATOM 0 H THR A 47 3.212 11.086 8.860 1.00 0.00 H new ATOM 0 HA THR A 47 2.523 9.390 11.182 1.00 0.00 H new ATOM 0 HB THR A 47 0.657 10.733 9.183 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.757 12.548 10.633 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.840 10.808 11.154 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.330 9.139 10.802 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.423 10.035 12.143 1.00 0.00 H new ATOM 798 N TRP A 48 1.753 8.556 8.071 1.00 0.00 N ATOM 799 CA TRP A 48 1.367 7.374 7.246 1.00 0.00 C ATOM 800 C TRP A 48 2.513 6.352 7.209 1.00 0.00 C ATOM 801 O TRP A 48 2.299 5.167 7.370 1.00 0.00 O ATOM 802 CB TRP A 48 0.995 7.840 5.827 1.00 0.00 C ATOM 803 CG TRP A 48 2.197 7.906 4.940 1.00 0.00 C ATOM 804 CD1 TRP A 48 2.709 9.041 4.424 1.00 0.00 C ATOM 805 CD2 TRP A 48 3.023 6.817 4.434 1.00 0.00 C ATOM 806 NE1 TRP A 48 3.812 8.728 3.652 1.00 0.00 N ATOM 807 CE2 TRP A 48 4.043 7.367 3.623 1.00 0.00 C ATOM 808 CE3 TRP A 48 2.992 5.423 4.606 1.00 0.00 C ATOM 809 CZ2 TRP A 48 4.997 6.560 3.001 1.00 0.00 C ATOM 810 CZ3 TRP A 48 3.949 4.607 3.981 1.00 0.00 C ATOM 811 CH2 TRP A 48 4.950 5.175 3.180 1.00 0.00 C ATOM 0 H TRP A 48 1.893 9.422 7.551 1.00 0.00 H new ATOM 0 HA TRP A 48 0.500 6.886 7.692 1.00 0.00 H new ATOM 0 HB2 TRP A 48 0.262 7.156 5.399 1.00 0.00 H new ATOM 0 HB3 TRP A 48 0.524 8.822 5.877 1.00 0.00 H new ATOM 0 HD1 TRP A 48 2.320 10.035 4.587 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.384 9.417 3.164 1.00 0.00 H new ATOM 0 HE3 TRP A 48 2.227 4.976 5.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.766 7.003 2.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 3.914 3.536 4.118 1.00 0.00 H new ATOM 0 HH2 TRP A 48 5.684 4.543 2.702 1.00 0.00 H new ATOM 822 N LYS A 49 3.723 6.793 6.999 1.00 0.00 N ATOM 823 CA LYS A 49 4.867 5.837 6.954 1.00 0.00 C ATOM 824 C LYS A 49 4.771 4.861 8.129 1.00 0.00 C ATOM 825 O LYS A 49 5.074 3.692 8.003 1.00 0.00 O ATOM 826 CB LYS A 49 6.187 6.610 7.034 1.00 0.00 C ATOM 827 CG LYS A 49 6.238 7.415 8.335 1.00 0.00 C ATOM 828 CD LYS A 49 7.010 6.628 9.394 1.00 0.00 C ATOM 829 CE LYS A 49 8.151 7.490 9.938 1.00 0.00 C ATOM 830 NZ LYS A 49 8.641 6.913 11.222 1.00 0.00 N ATOM 0 H LYS A 49 3.969 7.773 6.857 1.00 0.00 H new ATOM 0 HA LYS A 49 4.832 5.278 6.019 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.028 5.918 6.991 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.280 7.278 6.178 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.719 8.378 8.160 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.227 7.622 8.686 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.342 6.336 10.204 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.408 5.710 8.962 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.964 7.535 9.214 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.806 8.512 10.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.417 7.499 11.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.863 6.892 11.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.985 5.945 11.059 1.00 0.00 H new ATOM 844 N ASN A 50 4.351 5.328 9.274 1.00 0.00 N ATOM 845 CA ASN A 50 4.238 4.421 10.450 1.00 0.00 C ATOM 846 C ASN A 50 2.939 3.618 10.355 1.00 0.00 C ATOM 847 O ASN A 50 2.893 2.451 10.689 1.00 0.00 O ATOM 848 CB ASN A 50 4.232 5.251 11.734 1.00 0.00 C ATOM 849 CG ASN A 50 4.910 4.463 12.857 1.00 0.00 C ATOM 850 OD1 ASN A 50 5.916 3.817 12.639 1.00 0.00 O ATOM 851 ND2 ASN A 50 4.399 4.490 14.057 1.00 0.00 N ATOM 0 H ASN A 50 4.082 6.297 9.445 1.00 0.00 H new ATOM 0 HA ASN A 50 5.086 3.737 10.463 1.00 0.00 H new ATOM 0 HB2 ASN A 50 4.753 6.194 11.572 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.208 5.497 12.015 1.00 0.00 H new ATOM 0 HD21 ASN A 50 4.844 3.969 14.813 1.00 0.00 H new ATOM 0 HD22 ASN A 50 3.555 5.032 14.240 1.00 0.00 H new ATOM 858 N ALA A 51 1.881 4.236 9.904 1.00 0.00 N ATOM 859 CA ALA A 51 0.585 3.509 9.790 1.00 0.00 C ATOM 860 C ALA A 51 0.714 2.385 8.759 1.00 0.00 C ATOM 861 O ALA A 51 0.317 1.262 9.000 1.00 0.00 O ATOM 862 CB ALA A 51 -0.507 4.484 9.346 1.00 0.00 C ATOM 0 H ALA A 51 1.858 5.212 9.610 1.00 0.00 H new ATOM 0 HA ALA A 51 0.323 3.082 10.758 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.456 3.954 9.262 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.602 5.283 10.081 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.243 4.910 8.378 1.00 0.00 H new ATOM 868 N VAL A 52 1.262 2.676 7.611 1.00 0.00 N ATOM 869 CA VAL A 52 1.411 1.620 6.569 1.00 0.00 C ATOM 870 C VAL A 52 2.233 0.459 7.135 1.00 0.00 C ATOM 871 O VAL A 52 1.842 -0.688 7.051 1.00 0.00 O ATOM 872 CB VAL A 52 2.115 2.209 5.341 1.00 0.00 C ATOM 873 CG1 VAL A 52 2.643 1.081 4.450 1.00 0.00 C ATOM 874 CG2 VAL A 52 1.115 3.050 4.545 1.00 0.00 C ATOM 0 H VAL A 52 1.613 3.597 7.349 1.00 0.00 H new ATOM 0 HA VAL A 52 0.427 1.253 6.275 1.00 0.00 H new ATOM 0 HB VAL A 52 2.949 2.829 5.668 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.142 1.508 3.580 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.352 0.474 5.013 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.812 0.457 4.122 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.610 3.472 3.670 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.285 2.421 4.224 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.737 3.857 5.173 1.00 0.00 H new ATOM 884 N ARG A 53 3.368 0.745 7.713 1.00 0.00 N ATOM 885 CA ARG A 53 4.206 -0.349 8.280 1.00 0.00 C ATOM 886 C ARG A 53 3.343 -1.225 9.190 1.00 0.00 C ATOM 887 O ARG A 53 3.249 -2.423 9.005 1.00 0.00 O ATOM 888 CB ARG A 53 5.359 0.252 9.088 1.00 0.00 C ATOM 889 CG ARG A 53 6.543 0.521 8.157 1.00 0.00 C ATOM 890 CD ARG A 53 7.851 0.400 8.942 1.00 0.00 C ATOM 891 NE ARG A 53 8.921 1.163 8.240 1.00 0.00 N ATOM 892 CZ ARG A 53 8.852 2.463 8.165 1.00 0.00 C ATOM 893 NH1 ARG A 53 9.341 3.200 9.125 1.00 0.00 N ATOM 894 NH2 ARG A 53 8.294 3.029 7.130 1.00 0.00 N ATOM 0 H ARG A 53 3.750 1.685 7.817 1.00 0.00 H new ATOM 0 HA ARG A 53 4.613 -0.954 7.470 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.039 1.178 9.566 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.655 -0.431 9.884 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.537 -0.189 7.330 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.458 1.517 7.723 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.718 0.785 9.953 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.137 -0.648 9.035 1.00 0.00 H new ATOM 0 HE ARG A 53 9.707 0.669 7.818 1.00 0.00 H new ATOM 0 HH11 ARG A 53 9.778 2.759 9.935 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.287 4.217 9.066 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.911 2.454 6.379 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.240 4.046 7.072 1.00 0.00 H new ATOM 908 N HIS A 54 2.706 -0.640 10.167 1.00 0.00 N ATOM 909 CA HIS A 54 1.845 -1.445 11.077 1.00 0.00 C ATOM 910 C HIS A 54 0.763 -2.143 10.251 1.00 0.00 C ATOM 911 O HIS A 54 0.612 -3.348 10.297 1.00 0.00 O ATOM 912 CB HIS A 54 1.187 -0.525 12.107 1.00 0.00 C ATOM 913 CG HIS A 54 0.141 -1.292 12.869 1.00 0.00 C ATOM 914 ND1 HIS A 54 -1.148 -0.814 13.040 1.00 0.00 N ATOM 915 CD2 HIS A 54 0.179 -2.505 13.511 1.00 0.00 C ATOM 916 CE1 HIS A 54 -1.827 -1.725 13.760 1.00 0.00 C ATOM 917 NE2 HIS A 54 -1.065 -2.776 14.073 1.00 0.00 N ATOM 0 H HIS A 54 2.745 0.358 10.374 1.00 0.00 H new ATOM 0 HA HIS A 54 2.451 -2.188 11.595 1.00 0.00 H new ATOM 0 HB2 HIS A 54 1.938 -0.134 12.793 1.00 0.00 H new ATOM 0 HB3 HIS A 54 0.734 0.332 11.608 1.00 0.00 H new ATOM 0 HD2 HIS A 54 1.043 -3.151 13.571 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -2.862 -1.619 14.050 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -1.336 -3.600 14.609 1.00 0.00 H new ATOM 925 N ASN A 55 0.013 -1.394 9.491 1.00 0.00 N ATOM 926 CA ASN A 55 -1.055 -2.011 8.655 1.00 0.00 C ATOM 927 C ASN A 55 -0.436 -3.089 7.760 1.00 0.00 C ATOM 928 O ASN A 55 -1.119 -3.956 7.253 1.00 0.00 O ATOM 929 CB ASN A 55 -1.700 -0.934 7.779 1.00 0.00 C ATOM 930 CG ASN A 55 -3.085 -0.587 8.331 1.00 0.00 C ATOM 931 OD1 ASN A 55 -3.404 -0.922 9.454 1.00 0.00 O ATOM 932 ND2 ASN A 55 -3.925 0.074 7.583 1.00 0.00 N ATOM 0 H ASN A 55 0.094 -0.380 9.413 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.812 -2.459 9.299 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.072 -0.043 7.758 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.785 -1.289 6.752 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.850 0.310 7.941 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.656 0.355 6.640 1.00 0.00 H new ATOM 939 N LEU A 56 0.851 -3.032 7.556 1.00 0.00 N ATOM 940 CA LEU A 56 1.523 -4.040 6.686 1.00 0.00 C ATOM 941 C LEU A 56 1.602 -5.394 7.401 1.00 0.00 C ATOM 942 O LEU A 56 1.386 -6.431 6.807 1.00 0.00 O ATOM 943 CB LEU A 56 2.939 -3.558 6.358 1.00 0.00 C ATOM 944 CG LEU A 56 3.048 -3.257 4.863 1.00 0.00 C ATOM 945 CD1 LEU A 56 4.485 -2.854 4.528 1.00 0.00 C ATOM 946 CD2 LEU A 56 2.669 -4.506 4.062 1.00 0.00 C ATOM 0 H LEU A 56 1.470 -2.327 7.956 1.00 0.00 H new ATOM 0 HA LEU A 56 0.946 -4.158 5.769 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.172 -2.664 6.937 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.667 -4.319 6.640 1.00 0.00 H new ATOM 0 HG LEU A 56 2.372 -2.441 4.606 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.564 -2.639 3.462 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.756 -1.965 5.098 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.161 -3.670 4.785 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.746 -4.292 2.996 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.345 -5.322 4.318 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.645 -4.795 4.301 1.00 0.00 H new ATOM 958 N SER A 57 1.930 -5.396 8.666 1.00 0.00 N ATOM 959 CA SER A 57 2.043 -6.689 9.405 1.00 0.00 C ATOM 960 C SER A 57 0.656 -7.183 9.831 1.00 0.00 C ATOM 961 O SER A 57 0.380 -8.366 9.815 1.00 0.00 O ATOM 962 CB SER A 57 2.914 -6.487 10.646 1.00 0.00 C ATOM 963 OG SER A 57 2.499 -5.309 11.325 1.00 0.00 O ATOM 0 H SER A 57 2.124 -4.561 9.219 1.00 0.00 H new ATOM 0 HA SER A 57 2.496 -7.433 8.750 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.831 -7.350 11.307 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.962 -6.405 10.359 1.00 0.00 H new ATOM 0 HG SER A 57 3.054 -5.178 12.122 1.00 0.00 H new ATOM 969 N LEU A 58 -0.214 -6.294 10.222 1.00 0.00 N ATOM 970 CA LEU A 58 -1.575 -6.724 10.658 1.00 0.00 C ATOM 971 C LEU A 58 -2.399 -7.167 9.444 1.00 0.00 C ATOM 972 O LEU A 58 -3.113 -8.148 9.494 1.00 0.00 O ATOM 973 CB LEU A 58 -2.279 -5.556 11.351 1.00 0.00 C ATOM 974 CG LEU A 58 -3.695 -5.975 11.754 1.00 0.00 C ATOM 975 CD1 LEU A 58 -3.675 -6.557 13.170 1.00 0.00 C ATOM 976 CD2 LEU A 58 -4.617 -4.755 11.718 1.00 0.00 C ATOM 0 H LEU A 58 -0.043 -5.289 10.259 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.481 -7.561 11.350 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.715 -5.250 12.232 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.320 -4.695 10.683 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.061 -6.729 11.058 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.684 -6.855 13.455 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.019 -7.427 13.197 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.308 -5.804 13.868 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.626 -5.053 12.005 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.250 -4.001 12.414 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.634 -4.341 10.710 1.00 0.00 H new ATOM 988 N HIS A 59 -2.310 -6.452 8.355 1.00 0.00 N ATOM 989 CA HIS A 59 -3.094 -6.835 7.145 1.00 0.00 C ATOM 990 C HIS A 59 -2.651 -8.219 6.659 1.00 0.00 C ATOM 991 O HIS A 59 -1.530 -8.409 6.232 1.00 0.00 O ATOM 992 CB HIS A 59 -2.857 -5.804 6.042 1.00 0.00 C ATOM 993 CG HIS A 59 -3.714 -4.595 6.301 1.00 0.00 C ATOM 994 ND1 HIS A 59 -5.017 -4.699 6.762 1.00 0.00 N ATOM 995 CD2 HIS A 59 -3.468 -3.250 6.173 1.00 0.00 C ATOM 996 CE1 HIS A 59 -5.501 -3.451 6.894 1.00 0.00 C ATOM 997 NE2 HIS A 59 -4.598 -2.530 6.548 1.00 0.00 N ATOM 0 H HIS A 59 -1.729 -5.620 8.251 1.00 0.00 H new ATOM 0 HA HIS A 59 -4.155 -6.866 7.394 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -1.805 -5.519 6.014 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.097 -6.233 5.069 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -5.518 -5.564 6.964 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -2.539 -2.817 5.833 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -6.499 -3.222 7.238 1.00 0.00 H new ATOM 1005 N LYS A 60 -3.523 -9.189 6.730 1.00 0.00 N ATOM 1006 CA LYS A 60 -3.152 -10.562 6.284 1.00 0.00 C ATOM 1007 C LYS A 60 -3.213 -10.662 4.758 1.00 0.00 C ATOM 1008 O LYS A 60 -2.567 -11.501 4.161 1.00 0.00 O ATOM 1009 CB LYS A 60 -4.123 -11.573 6.897 1.00 0.00 C ATOM 1010 CG LYS A 60 -3.406 -12.374 7.985 1.00 0.00 C ATOM 1011 CD LYS A 60 -2.408 -13.335 7.338 1.00 0.00 C ATOM 1012 CE LYS A 60 -0.984 -12.917 7.707 1.00 0.00 C ATOM 1013 NZ LYS A 60 -0.008 -13.749 6.948 1.00 0.00 N ATOM 0 H LYS A 60 -4.477 -9.089 7.078 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.135 -10.777 6.611 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.984 -11.056 7.319 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.501 -12.244 6.126 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.888 -11.699 8.666 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -4.131 -12.931 8.578 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.598 -14.354 7.675 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.531 -13.329 6.255 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.833 -11.862 7.479 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.825 -13.038 8.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.960 -13.464 7.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.147 -14.752 7.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.155 -13.612 5.928 1.00 0.00 H new ATOM 1027 N TYR A 61 -3.979 -9.824 4.113 1.00 0.00 N ATOM 1028 CA TYR A 61 -4.059 -9.903 2.627 1.00 0.00 C ATOM 1029 C TYR A 61 -2.753 -9.385 2.017 1.00 0.00 C ATOM 1030 O TYR A 61 -2.542 -9.466 0.823 1.00 0.00 O ATOM 1031 CB TYR A 61 -5.244 -9.077 2.116 1.00 0.00 C ATOM 1032 CG TYR A 61 -5.205 -7.688 2.703 1.00 0.00 C ATOM 1033 CD1 TYR A 61 -4.433 -6.692 2.095 1.00 0.00 C ATOM 1034 CD2 TYR A 61 -5.954 -7.391 3.849 1.00 0.00 C ATOM 1035 CE1 TYR A 61 -4.407 -5.401 2.633 1.00 0.00 C ATOM 1036 CE2 TYR A 61 -5.930 -6.098 4.385 1.00 0.00 C ATOM 1037 CZ TYR A 61 -5.155 -5.103 3.777 1.00 0.00 C ATOM 1038 OH TYR A 61 -5.134 -3.828 4.303 1.00 0.00 O ATOM 0 H TYR A 61 -4.547 -9.096 4.545 1.00 0.00 H new ATOM 0 HA TYR A 61 -4.207 -10.941 2.331 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.214 -9.020 1.028 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.180 -9.567 2.384 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -3.857 -6.920 1.210 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.550 -8.159 4.319 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -3.809 -4.633 2.165 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.509 -5.868 5.267 1.00 0.00 H new ATOM 0 HH TYR A 61 -4.988 -3.179 3.583 1.00 0.00 H new ATOM 1048 N PHE A 62 -1.868 -8.870 2.828 1.00 0.00 N ATOM 1049 CA PHE A 62 -0.569 -8.367 2.294 1.00 0.00 C ATOM 1050 C PHE A 62 0.473 -9.484 2.404 1.00 0.00 C ATOM 1051 O PHE A 62 0.768 -9.957 3.483 1.00 0.00 O ATOM 1052 CB PHE A 62 -0.106 -7.163 3.118 1.00 0.00 C ATOM 1053 CG PHE A 62 -0.578 -5.886 2.466 1.00 0.00 C ATOM 1054 CD1 PHE A 62 -0.326 -5.653 1.110 1.00 0.00 C ATOM 1055 CD2 PHE A 62 -1.268 -4.931 3.224 1.00 0.00 C ATOM 1056 CE1 PHE A 62 -0.764 -4.466 0.511 1.00 0.00 C ATOM 1057 CE2 PHE A 62 -1.705 -3.744 2.626 1.00 0.00 C ATOM 1058 CZ PHE A 62 -1.453 -3.511 1.269 1.00 0.00 C ATOM 0 H PHE A 62 -1.988 -8.776 3.837 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.690 -8.066 1.253 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.500 -7.232 4.132 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.981 -7.161 3.198 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.206 -6.389 0.525 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.463 -5.111 4.271 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.570 -4.287 -0.536 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.236 -3.008 3.211 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.790 -2.595 0.807 1.00 0.00 H new ATOM 1068 N VAL A 63 1.028 -9.918 1.305 1.00 0.00 N ATOM 1069 CA VAL A 63 2.040 -11.009 1.379 1.00 0.00 C ATOM 1070 C VAL A 63 3.413 -10.472 0.969 1.00 0.00 C ATOM 1071 O VAL A 63 3.526 -9.570 0.163 1.00 0.00 O ATOM 1072 CB VAL A 63 1.636 -12.152 0.444 1.00 0.00 C ATOM 1073 CG1 VAL A 63 2.810 -13.119 0.278 1.00 0.00 C ATOM 1074 CG2 VAL A 63 0.442 -12.900 1.044 1.00 0.00 C ATOM 0 H VAL A 63 0.827 -9.568 0.368 1.00 0.00 H new ATOM 0 HA VAL A 63 2.091 -11.380 2.403 1.00 0.00 H new ATOM 0 HB VAL A 63 1.362 -11.745 -0.529 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.520 -13.932 -0.388 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.662 -12.588 -0.147 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.085 -13.527 1.250 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.152 -13.715 0.380 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.719 -13.306 2.017 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.396 -12.213 1.162 1.00 0.00 H new ATOM 1084 N ARG A 64 4.459 -11.024 1.523 1.00 0.00 N ATOM 1085 CA ARG A 64 5.828 -10.557 1.172 1.00 0.00 C ATOM 1086 C ARG A 64 6.621 -11.724 0.579 1.00 0.00 C ATOM 1087 O ARG A 64 6.565 -12.835 1.069 1.00 0.00 O ATOM 1088 CB ARG A 64 6.528 -10.047 2.434 1.00 0.00 C ATOM 1089 CG ARG A 64 7.979 -9.693 2.109 1.00 0.00 C ATOM 1090 CD ARG A 64 8.747 -9.449 3.407 1.00 0.00 C ATOM 1091 NE ARG A 64 9.845 -8.473 3.158 1.00 0.00 N ATOM 1092 CZ ARG A 64 10.818 -8.352 4.018 1.00 0.00 C ATOM 1093 NH1 ARG A 64 11.449 -9.411 4.444 1.00 0.00 N ATOM 1094 NH2 ARG A 64 11.161 -7.170 4.452 1.00 0.00 N ATOM 0 H ARG A 64 4.422 -11.781 2.206 1.00 0.00 H new ATOM 0 HA ARG A 64 5.768 -9.750 0.441 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.008 -9.171 2.822 1.00 0.00 H new ATOM 0 HB3 ARG A 64 6.495 -10.808 3.213 1.00 0.00 H new ATOM 0 HG2 ARG A 64 8.444 -10.502 1.545 1.00 0.00 H new ATOM 0 HG3 ARG A 64 8.015 -8.804 1.480 1.00 0.00 H new ATOM 0 HD2 ARG A 64 8.074 -9.067 4.174 1.00 0.00 H new ATOM 0 HD3 ARG A 64 9.157 -10.387 3.781 1.00 0.00 H new ATOM 0 HE ARG A 64 9.836 -7.899 2.315 1.00 0.00 H new ATOM 0 HH11 ARG A 64 11.182 -10.335 4.105 1.00 0.00 H new ATOM 0 HH12 ARG A 64 12.210 -9.315 5.117 1.00 0.00 H new ATOM 0 HH21 ARG A 64 10.668 -6.342 4.119 1.00 0.00 H new ATOM 0 HH22 ARG A 64 11.922 -7.075 5.125 1.00 0.00 H new ATOM 1108 N VAL A 65 7.355 -11.486 -0.474 1.00 0.00 N ATOM 1109 CA VAL A 65 8.140 -12.585 -1.093 1.00 0.00 C ATOM 1110 C VAL A 65 9.598 -12.153 -1.263 1.00 0.00 C ATOM 1111 O VAL A 65 9.884 -11.073 -1.741 1.00 0.00 O ATOM 1112 CB VAL A 65 7.549 -12.927 -2.462 1.00 0.00 C ATOM 1113 CG1 VAL A 65 8.301 -14.116 -3.060 1.00 0.00 C ATOM 1114 CG2 VAL A 65 6.070 -13.284 -2.303 1.00 0.00 C ATOM 0 H VAL A 65 7.443 -10.578 -0.930 1.00 0.00 H new ATOM 0 HA VAL A 65 8.098 -13.461 -0.446 1.00 0.00 H new ATOM 0 HB VAL A 65 7.646 -12.067 -3.125 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.880 -14.360 -4.035 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.355 -13.860 -3.173 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.206 -14.977 -2.398 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.648 -13.528 -3.278 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.972 -14.144 -1.640 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.535 -12.435 -1.878 1.00 0.00 H new ATOM 1124 N GLU A 66 10.522 -12.991 -0.880 1.00 0.00 N ATOM 1125 CA GLU A 66 11.957 -12.635 -1.023 1.00 0.00 C ATOM 1126 C GLU A 66 12.424 -12.959 -2.443 1.00 0.00 C ATOM 1127 O GLU A 66 12.363 -14.090 -2.883 1.00 0.00 O ATOM 1128 CB GLU A 66 12.788 -13.436 -0.017 1.00 0.00 C ATOM 1129 CG GLU A 66 13.721 -12.491 0.743 1.00 0.00 C ATOM 1130 CD GLU A 66 13.335 -12.472 2.223 1.00 0.00 C ATOM 1131 OE1 GLU A 66 12.752 -13.444 2.676 1.00 0.00 O ATOM 1132 OE2 GLU A 66 13.628 -11.487 2.878 1.00 0.00 O ATOM 0 H GLU A 66 10.342 -13.909 -0.473 1.00 0.00 H new ATOM 0 HA GLU A 66 12.086 -11.570 -0.832 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.131 -13.955 0.681 1.00 0.00 H new ATOM 0 HB3 GLU A 66 13.369 -14.199 -0.535 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.755 -12.816 0.630 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.656 -11.486 0.326 1.00 0.00 H new ATOM 1139 N ASN A 67 12.892 -11.978 -3.164 1.00 0.00 N ATOM 1140 CA ASN A 67 13.362 -12.231 -4.550 1.00 0.00 C ATOM 1141 C ASN A 67 14.749 -11.613 -4.738 1.00 0.00 C ATOM 1142 O ASN A 67 15.163 -10.754 -3.985 1.00 0.00 O ATOM 1143 CB ASN A 67 12.383 -11.609 -5.546 1.00 0.00 C ATOM 1144 CG ASN A 67 11.797 -12.705 -6.439 1.00 0.00 C ATOM 1145 OD1 ASN A 67 12.334 -13.792 -6.517 1.00 0.00 O ATOM 1146 ND2 ASN A 67 10.712 -12.463 -7.121 1.00 0.00 N ATOM 0 H ASN A 67 12.968 -11.011 -2.850 1.00 0.00 H new ATOM 0 HA ASN A 67 13.417 -13.306 -4.724 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.584 -11.094 -5.013 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.893 -10.863 -6.155 1.00 0.00 H new ATOM 0 HD21 ASN A 67 10.314 -13.186 -7.720 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.261 -11.550 -7.055 1.00 0.00 H new ATOM 1153 N VAL A 68 15.470 -12.041 -5.739 1.00 0.00 N ATOM 1154 CA VAL A 68 16.829 -11.474 -5.972 1.00 0.00 C ATOM 1155 C VAL A 68 16.755 -9.946 -5.946 1.00 0.00 C ATOM 1156 O VAL A 68 17.567 -9.287 -5.328 1.00 0.00 O ATOM 1157 CB VAL A 68 17.345 -11.935 -7.336 1.00 0.00 C ATOM 1158 CG1 VAL A 68 18.840 -11.625 -7.449 1.00 0.00 C ATOM 1159 CG2 VAL A 68 17.126 -13.443 -7.481 1.00 0.00 C ATOM 0 H VAL A 68 15.177 -12.757 -6.404 1.00 0.00 H new ATOM 0 HA VAL A 68 17.506 -11.819 -5.190 1.00 0.00 H new ATOM 0 HB VAL A 68 16.805 -11.411 -8.124 1.00 0.00 H new ATOM 0 HG11 VAL A 68 19.207 -11.954 -8.421 1.00 0.00 H new ATOM 0 HG12 VAL A 68 18.998 -10.551 -7.346 1.00 0.00 H new ATOM 0 HG13 VAL A 68 19.381 -12.149 -6.661 1.00 0.00 H new ATOM 0 HG21 VAL A 68 17.494 -13.772 -8.453 1.00 0.00 H new ATOM 0 HG22 VAL A 68 17.666 -13.967 -6.692 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.062 -13.665 -7.401 1.00 0.00 H new ATOM 1169 N LYS A 69 15.788 -9.379 -6.614 1.00 0.00 N ATOM 1170 CA LYS A 69 15.663 -7.896 -6.630 1.00 0.00 C ATOM 1171 C LYS A 69 15.441 -7.385 -5.204 1.00 0.00 C ATOM 1172 O LYS A 69 15.671 -6.230 -4.906 1.00 0.00 O ATOM 1173 CB LYS A 69 14.476 -7.494 -7.506 1.00 0.00 C ATOM 1174 CG LYS A 69 14.939 -6.492 -8.563 1.00 0.00 C ATOM 1175 CD LYS A 69 13.886 -6.391 -9.668 1.00 0.00 C ATOM 1176 CE LYS A 69 14.580 -6.309 -11.029 1.00 0.00 C ATOM 1177 NZ LYS A 69 15.587 -5.210 -11.008 1.00 0.00 N ATOM 0 H LYS A 69 15.079 -9.880 -7.149 1.00 0.00 H new ATOM 0 HA LYS A 69 16.577 -7.460 -7.033 1.00 0.00 H new ATOM 0 HB2 LYS A 69 14.050 -8.375 -7.986 1.00 0.00 H new ATOM 0 HB3 LYS A 69 13.690 -7.054 -6.892 1.00 0.00 H new ATOM 0 HG2 LYS A 69 15.098 -5.515 -8.108 1.00 0.00 H new ATOM 0 HG3 LYS A 69 15.894 -6.807 -8.984 1.00 0.00 H new ATOM 0 HD2 LYS A 69 13.226 -7.258 -9.636 1.00 0.00 H new ATOM 0 HD3 LYS A 69 13.263 -5.510 -9.512 1.00 0.00 H new ATOM 0 HE2 LYS A 69 15.066 -7.257 -11.259 1.00 0.00 H new ATOM 0 HE3 LYS A 69 13.845 -6.128 -11.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 15.711 -4.834 -11.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 15.258 -4.450 -10.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 16.496 -5.578 -10.661 1.00 0.00 H new ATOM 1191 N GLY A 70 14.994 -8.237 -4.323 1.00 0.00 N ATOM 1192 CA GLY A 70 14.755 -7.803 -2.925 1.00 0.00 C ATOM 1193 C GLY A 70 13.345 -8.209 -2.498 1.00 0.00 C ATOM 1194 O GLY A 70 12.523 -8.583 -3.311 1.00 0.00 O ATOM 0 H GLY A 70 14.785 -9.217 -4.515 1.00 0.00 H new ATOM 0 HA2 GLY A 70 15.492 -8.256 -2.262 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.874 -6.723 -2.843 1.00 0.00 H new ATOM 1198 N ALA A 71 13.056 -8.141 -1.227 1.00 0.00 N ATOM 1199 CA ALA A 71 11.698 -8.525 -0.750 1.00 0.00 C ATOM 1200 C ALA A 71 10.643 -7.695 -1.485 1.00 0.00 C ATOM 1201 O ALA A 71 10.871 -6.554 -1.836 1.00 0.00 O ATOM 1202 CB ALA A 71 11.593 -8.268 0.754 1.00 0.00 C ATOM 0 H ALA A 71 13.702 -7.836 -0.499 1.00 0.00 H new ATOM 0 HA ALA A 71 11.530 -9.583 -0.950 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.599 -8.549 1.103 1.00 0.00 H new ATOM 0 HB2 ALA A 71 12.343 -8.861 1.278 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.762 -7.210 0.955 1.00 0.00 H new ATOM 1208 N VAL A 72 9.490 -8.258 -1.719 1.00 0.00 N ATOM 1209 CA VAL A 72 8.421 -7.501 -2.430 1.00 0.00 C ATOM 1210 C VAL A 72 7.139 -7.531 -1.598 1.00 0.00 C ATOM 1211 O VAL A 72 6.947 -8.396 -0.768 1.00 0.00 O ATOM 1212 CB VAL A 72 8.155 -8.147 -3.791 1.00 0.00 C ATOM 1213 CG1 VAL A 72 9.309 -7.831 -4.745 1.00 0.00 C ATOM 1214 CG2 VAL A 72 8.041 -9.663 -3.621 1.00 0.00 C ATOM 0 H VAL A 72 9.242 -9.210 -1.449 1.00 0.00 H new ATOM 0 HA VAL A 72 8.742 -6.469 -2.573 1.00 0.00 H new ATOM 0 HB VAL A 72 7.226 -7.753 -4.202 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.117 -8.292 -5.714 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.394 -6.751 -4.868 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.239 -8.224 -4.334 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.851 -10.125 -4.590 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.971 -10.054 -3.209 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.219 -9.892 -2.943 1.00 0.00 H new ATOM 1224 N TRP A 73 6.256 -6.600 -1.823 1.00 0.00 N ATOM 1225 CA TRP A 73 4.986 -6.584 -1.055 1.00 0.00 C ATOM 1226 C TRP A 73 3.820 -6.833 -2.010 1.00 0.00 C ATOM 1227 O TRP A 73 3.692 -6.179 -3.024 1.00 0.00 O ATOM 1228 CB TRP A 73 4.802 -5.234 -0.357 1.00 0.00 C ATOM 1229 CG TRP A 73 5.681 -5.170 0.850 1.00 0.00 C ATOM 1230 CD1 TRP A 73 6.796 -4.411 0.960 1.00 0.00 C ATOM 1231 CD2 TRP A 73 5.540 -5.875 2.117 1.00 0.00 C ATOM 1232 NE1 TRP A 73 7.349 -4.606 2.213 1.00 0.00 N ATOM 1233 CE2 TRP A 73 6.610 -5.500 2.964 1.00 0.00 C ATOM 1234 CE3 TRP A 73 4.597 -6.795 2.609 1.00 0.00 C ATOM 1235 CZ2 TRP A 73 6.739 -6.019 4.252 1.00 0.00 C ATOM 1236 CZ3 TRP A 73 4.723 -7.320 3.906 1.00 0.00 C ATOM 1237 CH2 TRP A 73 5.793 -6.932 4.725 1.00 0.00 C ATOM 0 H TRP A 73 6.361 -5.850 -2.506 1.00 0.00 H new ATOM 0 HA TRP A 73 5.017 -7.366 -0.296 1.00 0.00 H new ATOM 0 HB2 TRP A 73 5.048 -4.423 -1.042 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.759 -5.102 -0.068 1.00 0.00 H new ATOM 0 HD1 TRP A 73 7.190 -3.759 0.194 1.00 0.00 H new ATOM 0 HE1 TRP A 73 8.198 -4.146 2.542 1.00 0.00 H new ATOM 0 HE3 TRP A 73 3.770 -7.100 1.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 7.565 -5.717 4.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 3.993 -8.025 4.274 1.00 0.00 H new ATOM 0 HH2 TRP A 73 5.886 -7.339 5.721 1.00 0.00 H new ATOM 1248 N THR A 74 2.972 -7.777 -1.709 1.00 0.00 N ATOM 1249 CA THR A 74 1.840 -8.057 -2.621 1.00 0.00 C ATOM 1250 C THR A 74 0.536 -8.190 -1.836 1.00 0.00 C ATOM 1251 O THR A 74 0.531 -8.313 -0.628 1.00 0.00 O ATOM 1252 CB THR A 74 2.116 -9.352 -3.377 1.00 0.00 C ATOM 1253 OG1 THR A 74 0.908 -9.822 -3.965 1.00 0.00 O ATOM 1254 CG2 THR A 74 2.671 -10.402 -2.411 1.00 0.00 C ATOM 0 H THR A 74 3.017 -8.361 -0.874 1.00 0.00 H new ATOM 0 HA THR A 74 1.738 -7.230 -3.323 1.00 0.00 H new ATOM 0 HB THR A 74 2.850 -9.169 -4.162 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.571 -9.154 -4.598 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.868 -11.327 -2.953 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.598 -10.036 -1.969 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.943 -10.591 -1.622 1.00 0.00 H new ATOM 1262 N VAL A 75 -0.572 -8.166 -2.526 1.00 0.00 N ATOM 1263 CA VAL A 75 -1.888 -8.290 -1.838 1.00 0.00 C ATOM 1264 C VAL A 75 -2.610 -9.541 -2.343 1.00 0.00 C ATOM 1265 O VAL A 75 -2.487 -9.920 -3.490 1.00 0.00 O ATOM 1266 CB VAL A 75 -2.740 -7.058 -2.145 1.00 0.00 C ATOM 1267 CG1 VAL A 75 -4.117 -7.214 -1.496 1.00 0.00 C ATOM 1268 CG2 VAL A 75 -2.051 -5.812 -1.586 1.00 0.00 C ATOM 0 H VAL A 75 -0.622 -8.066 -3.540 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.730 -8.367 -0.762 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.857 -6.957 -3.224 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.724 -6.336 -1.715 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.608 -8.103 -1.893 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.001 -7.315 -0.417 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.657 -4.933 -1.804 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.934 -5.914 -0.507 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.070 -5.700 -2.048 1.00 0.00 H new ATOM 1278 N ASP A 76 -3.368 -10.182 -1.496 1.00 0.00 N ATOM 1279 CA ASP A 76 -4.101 -11.403 -1.931 1.00 0.00 C ATOM 1280 C ASP A 76 -5.538 -11.022 -2.295 1.00 0.00 C ATOM 1281 O ASP A 76 -6.299 -10.570 -1.464 1.00 0.00 O ATOM 1282 CB ASP A 76 -4.113 -12.423 -0.791 1.00 0.00 C ATOM 1283 CG ASP A 76 -4.576 -13.781 -1.323 1.00 0.00 C ATOM 1284 OD1 ASP A 76 -4.915 -13.852 -2.492 1.00 0.00 O ATOM 1285 OD2 ASP A 76 -4.585 -14.725 -0.551 1.00 0.00 O ATOM 0 H ASP A 76 -3.511 -9.913 -0.523 1.00 0.00 H new ATOM 0 HA ASP A 76 -3.607 -11.840 -2.799 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -3.117 -12.511 -0.358 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.778 -12.087 0.005 1.00 0.00 H new ATOM 1290 N GLU A 77 -5.913 -11.196 -3.532 1.00 0.00 N ATOM 1291 CA GLU A 77 -7.298 -10.837 -3.948 1.00 0.00 C ATOM 1292 C GLU A 77 -8.310 -11.629 -3.116 1.00 0.00 C ATOM 1293 O GLU A 77 -9.227 -11.071 -2.545 1.00 0.00 O ATOM 1294 CB GLU A 77 -7.490 -11.164 -5.431 1.00 0.00 C ATOM 1295 CG GLU A 77 -7.720 -9.868 -6.213 1.00 0.00 C ATOM 1296 CD GLU A 77 -8.664 -10.138 -7.385 1.00 0.00 C ATOM 1297 OE1 GLU A 77 -9.866 -10.116 -7.171 1.00 0.00 O ATOM 1298 OE2 GLU A 77 -8.171 -10.362 -8.479 1.00 0.00 O ATOM 0 H GLU A 77 -5.321 -11.571 -4.273 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.455 -9.770 -3.788 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.613 -11.683 -5.817 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.340 -11.835 -5.560 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.145 -9.107 -5.559 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.770 -9.479 -6.580 1.00 0.00 H new ATOM 1305 N VAL A 78 -8.154 -12.922 -3.041 1.00 0.00 N ATOM 1306 CA VAL A 78 -9.110 -13.737 -2.245 1.00 0.00 C ATOM 1307 C VAL A 78 -9.073 -13.269 -0.793 1.00 0.00 C ATOM 1308 O VAL A 78 -10.078 -12.895 -0.222 1.00 0.00 O ATOM 1309 CB VAL A 78 -8.707 -15.211 -2.312 1.00 0.00 C ATOM 1310 CG1 VAL A 78 -9.560 -16.015 -1.330 1.00 0.00 C ATOM 1311 CG2 VAL A 78 -8.931 -15.735 -3.732 1.00 0.00 C ATOM 0 H VAL A 78 -7.407 -13.447 -3.496 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.116 -13.619 -2.648 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.654 -15.315 -2.049 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.275 -17.066 -1.376 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.402 -15.640 -0.319 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.613 -15.913 -1.594 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -8.644 -16.785 -3.782 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -9.984 -15.633 -3.995 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.325 -15.160 -4.432 1.00 0.00 H new ATOM 1321 N GLU A 79 -7.916 -13.287 -0.194 1.00 0.00 N ATOM 1322 CA GLU A 79 -7.804 -12.844 1.222 1.00 0.00 C ATOM 1323 C GLU A 79 -8.263 -11.390 1.338 1.00 0.00 C ATOM 1324 O GLU A 79 -8.936 -11.015 2.277 1.00 0.00 O ATOM 1325 CB GLU A 79 -6.350 -12.959 1.684 1.00 0.00 C ATOM 1326 CG GLU A 79 -6.307 -13.590 3.076 1.00 0.00 C ATOM 1327 CD GLU A 79 -6.585 -15.090 2.966 1.00 0.00 C ATOM 1328 OE1 GLU A 79 -7.746 -15.461 3.002 1.00 0.00 O ATOM 1329 OE2 GLU A 79 -5.632 -15.842 2.844 1.00 0.00 O ATOM 0 H GLU A 79 -7.042 -13.590 -0.625 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.433 -13.476 1.849 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.780 -13.566 0.980 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.885 -11.974 1.705 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.331 -13.423 3.532 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -7.047 -13.119 3.723 1.00 0.00 H new ATOM 1336 N PHE A 80 -7.905 -10.567 0.391 1.00 0.00 N ATOM 1337 CA PHE A 80 -8.321 -9.141 0.452 1.00 0.00 C ATOM 1338 C PHE A 80 -9.842 -9.047 0.321 1.00 0.00 C ATOM 1339 O PHE A 80 -10.484 -8.262 0.991 1.00 0.00 O ATOM 1340 CB PHE A 80 -7.660 -8.365 -0.688 1.00 0.00 C ATOM 1341 CG PHE A 80 -8.003 -6.901 -0.557 1.00 0.00 C ATOM 1342 CD1 PHE A 80 -9.241 -6.429 -1.008 1.00 0.00 C ATOM 1343 CD2 PHE A 80 -7.082 -6.016 0.017 1.00 0.00 C ATOM 1344 CE1 PHE A 80 -9.560 -5.071 -0.883 1.00 0.00 C ATOM 1345 CE2 PHE A 80 -7.401 -4.659 0.143 1.00 0.00 C ATOM 1346 CZ PHE A 80 -8.641 -4.186 -0.308 1.00 0.00 C ATOM 0 H PHE A 80 -7.343 -10.822 -0.421 1.00 0.00 H new ATOM 0 HA PHE A 80 -8.012 -8.714 1.406 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.579 -8.502 -0.658 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -8.003 -8.746 -1.650 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -9.950 -7.112 -1.452 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.126 -6.380 0.362 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -10.515 -4.707 -1.230 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.692 -3.976 0.588 1.00 0.00 H new ATOM 0 HZ PHE A 80 -8.887 -3.139 -0.212 1.00 0.00 H new ATOM 1356 N GLN A 81 -10.425 -9.841 -0.535 1.00 0.00 N ATOM 1357 CA GLN A 81 -11.904 -9.795 -0.705 1.00 0.00 C ATOM 1358 C GLN A 81 -12.576 -10.445 0.506 1.00 0.00 C ATOM 1359 O GLN A 81 -13.607 -9.998 0.970 1.00 0.00 O ATOM 1360 CB GLN A 81 -12.295 -10.552 -1.977 1.00 0.00 C ATOM 1361 CG GLN A 81 -12.541 -9.555 -3.110 1.00 0.00 C ATOM 1362 CD GLN A 81 -14.047 -9.387 -3.324 1.00 0.00 C ATOM 1363 OE1 GLN A 81 -14.503 -9.275 -4.445 1.00 0.00 O ATOM 1364 NE2 GLN A 81 -14.842 -9.363 -2.291 1.00 0.00 N ATOM 0 H GLN A 81 -9.941 -10.519 -1.123 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.230 -8.758 -0.787 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -11.504 -11.248 -2.256 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -13.192 -11.145 -1.799 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -12.088 -8.594 -2.868 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -12.070 -9.907 -4.027 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -14.459 -9.457 -1.350 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -15.847 -9.250 -2.423 1.00 0.00 H new ATOM 1373 N LYS A 82 -12.002 -11.498 1.022 1.00 0.00 N ATOM 1374 CA LYS A 82 -12.609 -12.173 2.202 1.00 0.00 C ATOM 1375 C LYS A 82 -12.715 -11.179 3.359 1.00 0.00 C ATOM 1376 O LYS A 82 -13.794 -10.856 3.815 1.00 0.00 O ATOM 1377 CB LYS A 82 -11.729 -13.354 2.620 1.00 0.00 C ATOM 1378 CG LYS A 82 -12.549 -14.643 2.563 1.00 0.00 C ATOM 1379 CD LYS A 82 -12.973 -14.913 1.120 1.00 0.00 C ATOM 1380 CE LYS A 82 -14.392 -15.485 1.102 1.00 0.00 C ATOM 1381 NZ LYS A 82 -14.372 -16.877 1.632 1.00 0.00 N ATOM 0 H LYS A 82 -11.139 -11.919 0.677 1.00 0.00 H new ATOM 0 HA LYS A 82 -13.604 -12.535 1.944 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.865 -13.430 1.960 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.346 -13.198 3.629 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -11.961 -15.478 2.943 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -13.428 -14.556 3.202 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -12.934 -13.991 0.540 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -12.281 -15.613 0.652 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -15.054 -14.864 1.706 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -14.786 -15.477 0.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.323 -17.291 1.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -13.701 -17.449 1.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -14.077 -16.865 2.629 1.00 0.00 H new ATOM 1395 N ARG A 83 -11.604 -10.693 3.841 1.00 0.00 N ATOM 1396 CA ARG A 83 -11.643 -9.724 4.968 1.00 0.00 C ATOM 1397 C ARG A 83 -11.964 -8.326 4.434 1.00 0.00 C ATOM 1398 O ARG A 83 -11.287 -7.365 4.738 1.00 0.00 O ATOM 1399 CB ARG A 83 -10.282 -9.704 5.670 1.00 0.00 C ATOM 1400 CG ARG A 83 -10.482 -9.899 7.174 1.00 0.00 C ATOM 1401 CD ARG A 83 -10.767 -11.373 7.466 1.00 0.00 C ATOM 1402 NE ARG A 83 -11.718 -11.479 8.609 1.00 0.00 N ATOM 1403 CZ ARG A 83 -12.401 -12.575 8.791 1.00 0.00 C ATOM 1404 NH1 ARG A 83 -13.210 -13.003 7.860 1.00 0.00 N ATOM 1405 NH2 ARG A 83 -12.277 -13.242 9.906 1.00 0.00 N ATOM 0 H ARG A 83 -10.671 -10.927 3.501 1.00 0.00 H new ATOM 0 HA ARG A 83 -12.414 -10.024 5.677 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.644 -10.493 5.272 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.776 -8.758 5.479 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -9.592 -9.576 7.714 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.309 -9.282 7.524 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.188 -11.855 6.583 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.839 -11.894 7.702 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.835 -10.694 9.249 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -13.308 -12.480 6.990 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -13.744 -13.860 8.003 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -11.646 -12.906 10.634 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -12.811 -14.099 10.049 1.00 0.00 H new ATOM 1419 N ARG A 84 -12.994 -8.205 3.641 1.00 0.00 N ATOM 1420 CA ARG A 84 -13.358 -6.877 3.090 1.00 0.00 C ATOM 1421 C ARG A 84 -14.733 -6.460 3.625 1.00 0.00 C ATOM 1422 O ARG A 84 -15.748 -6.906 3.126 1.00 0.00 O ATOM 1423 CB ARG A 84 -13.407 -6.954 1.563 1.00 0.00 C ATOM 1424 CG ARG A 84 -12.678 -5.747 0.968 1.00 0.00 C ATOM 1425 CD ARG A 84 -13.649 -4.936 0.108 1.00 0.00 C ATOM 1426 NE ARG A 84 -12.958 -3.722 -0.408 1.00 0.00 N ATOM 1427 CZ ARG A 84 -13.422 -3.106 -1.461 1.00 0.00 C ATOM 1428 NH1 ARG A 84 -13.390 -3.691 -2.626 1.00 0.00 N ATOM 1429 NH2 ARG A 84 -13.918 -1.905 -1.347 1.00 0.00 N ATOM 0 H ARG A 84 -13.599 -8.974 3.352 1.00 0.00 H new ATOM 0 HA ARG A 84 -12.612 -6.142 3.393 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -12.943 -7.878 1.220 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -14.442 -6.972 1.222 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -12.274 -5.123 1.766 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -11.833 -6.080 0.365 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -14.010 -5.543 -0.722 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -14.521 -4.649 0.696 1.00 0.00 H new ATOM 0 HE ARG A 84 -12.123 -3.372 0.061 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -13.002 -4.630 -2.715 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -13.753 -3.209 -3.449 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -13.943 -1.448 -0.435 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -14.281 -1.423 -2.169 1.00 0.00 H new ATOM 1443 N PRO A 85 -14.726 -5.616 4.627 1.00 0.00 N ATOM 1444 CA PRO A 85 -15.964 -5.119 5.253 1.00 0.00 C ATOM 1445 C PRO A 85 -16.608 -4.037 4.381 1.00 0.00 C ATOM 1446 O PRO A 85 -16.959 -2.973 4.853 1.00 0.00 O ATOM 1447 CB PRO A 85 -15.485 -4.536 6.585 1.00 0.00 C ATOM 1448 CG PRO A 85 -13.980 -4.219 6.407 1.00 0.00 C ATOM 1449 CD PRO A 85 -13.487 -5.079 5.228 1.00 0.00 C ATOM 0 HA PRO A 85 -16.720 -5.893 5.381 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -16.044 -3.635 6.838 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -15.639 -5.246 7.398 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -13.829 -3.159 6.204 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -13.425 -4.452 7.316 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -12.922 -4.484 4.510 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -12.829 -5.880 5.567 1.00 0.00 H new ATOM 1457 N GLN A 86 -16.767 -4.301 3.113 1.00 0.00 N ATOM 1458 CA GLN A 86 -17.387 -3.289 2.213 1.00 0.00 C ATOM 1459 C GLN A 86 -18.619 -2.689 2.891 1.00 0.00 C ATOM 1460 O GLN A 86 -19.463 -3.396 3.405 1.00 0.00 O ATOM 1461 CB GLN A 86 -17.802 -3.960 0.901 1.00 0.00 C ATOM 1462 CG GLN A 86 -18.794 -5.088 1.194 1.00 0.00 C ATOM 1463 CD GLN A 86 -20.223 -4.556 1.081 1.00 0.00 C ATOM 1464 OE1 GLN A 86 -20.448 -3.496 0.530 1.00 0.00 O ATOM 1465 NE2 GLN A 86 -21.207 -5.252 1.582 1.00 0.00 N ATOM 0 H GLN A 86 -16.494 -5.174 2.662 1.00 0.00 H new ATOM 0 HA GLN A 86 -16.666 -2.498 2.005 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -18.255 -3.227 0.233 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -16.925 -4.357 0.390 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -18.644 -5.909 0.493 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -18.622 -5.487 2.194 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -21.019 -6.141 2.044 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -22.164 -4.906 1.511 1.00 0.00 H new ATOM 1474 N LYS A 87 -18.732 -1.389 2.897 1.00 0.00 N ATOM 1475 CA LYS A 87 -19.911 -0.747 3.541 1.00 0.00 C ATOM 1476 C LYS A 87 -21.183 -1.494 3.136 1.00 0.00 C ATOM 1477 O LYS A 87 -21.652 -1.269 2.033 1.00 0.00 O ATOM 1478 CB LYS A 87 -20.010 0.711 3.086 1.00 0.00 C ATOM 1479 CG LYS A 87 -20.517 1.574 4.241 1.00 0.00 C ATOM 1480 CD LYS A 87 -19.508 2.688 4.525 1.00 0.00 C ATOM 1481 CE LYS A 87 -20.253 3.998 4.792 1.00 0.00 C ATOM 1482 NZ LYS A 87 -20.838 4.505 3.518 1.00 0.00 N ATOM 1483 OXT LYS A 87 -21.664 -2.280 3.934 1.00 0.00 O ATOM 0 H LYS A 87 -18.058 -0.744 2.484 1.00 0.00 H new ATOM 0 HA LYS A 87 -19.797 -0.783 4.624 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -19.034 1.066 2.754 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -20.685 0.792 2.234 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -21.487 2.003 3.990 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -20.659 0.962 5.131 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -18.893 2.425 5.386 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -18.834 2.807 3.677 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -21.041 3.837 5.528 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -19.571 4.738 5.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -20.978 5.533 3.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -20.192 4.294 2.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -21.753 4.042 3.348 1.00 0.00 H new TER 1497 LYS A 87