USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 706 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 41 TYR OH : rot 160:sc= 0.236 USER MOD Set 1.2: A 67 TYR OH : rot -129:sc= 0.118 USER MOD Set 2.1: A 62 GLN :FLIP amide:sc= 0 F(o=-1.5,f=0.12) USER MOD Set 2.2: A 63 GLN : amide:sc= 0.121 K(o=0.12,f=-9.3!) USER MOD Set 3.1: A 55 THR OG1 : rot 180:sc= 0.0293 USER MOD Set 3.2: A 56 GLN :FLIP amide:sc= -2.38 F(o=-8.2!,f=-2.4) USER MOD Set 4.1: A 46 MET CE :methyl -150:sc= -2.12 (180deg=-3.27!) USER MOD Set 4.2: A 50 LYS NZ :NH3+ 180:sc=-0.00934 (180deg=0) USER MOD Set 5.1: A 7 GLN :FLIP amide:sc=-0.00864 F(o=-0.32,f=0.23) USER MOD Set 5.2: A 29 GLN : amide:sc= 0.234 K(o=0.23,f=-2.5!) USER MOD Set 6.1: A 10 GLN :FLIP amide:sc= 0.303 X(o=-2.2,f=-2.2) USER MOD Set 6.2: A 25 HIS :FLIP no HE2:sc= -2.83! C(o=-3.9!,f=-2.2!) USER MOD Set 6.3: A 26 CYS SG : rot 177:sc= 0.33 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 150:sc= 1.18 (180deg=0.543) USER MOD Single : A 12 ASN : amide:sc= 0.0936 X(o=0.094,f=-0.35) USER MOD Single : A 13 SER OG : rot -18:sc= 0.437 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.145 X(o=-0.14,f=-0.089) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot -130:sc= -0.112 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= -0.304 F(o=-2.2!,f=-0.3) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.0392 F(o=-1.7,f=-0.039) USER MOD Single : A 37 ASN : amide:sc= -1.43 K(o=-1.4,f=-6.2!) USER MOD Single : A 42 SER OG : rot -1:sc= -1.13 USER MOD Single : A 43 ASN : amide:sc= -0.103 K(o=-0.1,f=-8.4!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 1.22 (180deg=1.22) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 1.13 K(o=1.1,f=-0.27) USER MOD Single : A 60 MET CE :methyl 161:sc= -0.434 (180deg=-1.63) USER MOD Single : A 61 CYS SG : rot 76:sc= 0.147 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.00225 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc=-0.00817 USER MOD Single : A 73 HIS : no HE2:sc= -2.42! C(o=-2.4!,f=-3.1!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -167:sc= 2.2 (180deg=1.73) USER MOD Single : A 81 GLN : amide:sc= -4.25! C(o=-4.2!,f=-8.2!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.707 X(o=-0.71,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 31 N PHE A 4 20.291 -6.297 -6.543 1.00 0.00 N ATOM 32 CA PHE A 4 19.241 -5.519 -7.191 1.00 0.00 C ATOM 33 C PHE A 4 19.899 -4.283 -7.763 1.00 0.00 C ATOM 34 O PHE A 4 19.586 -3.820 -8.855 1.00 0.00 O ATOM 35 CB PHE A 4 18.227 -5.100 -6.123 1.00 0.00 C ATOM 36 CG PHE A 4 17.198 -4.067 -6.537 1.00 0.00 C ATOM 37 CD1 PHE A 4 17.502 -2.694 -6.520 1.00 0.00 C ATOM 38 CD2 PHE A 4 15.916 -4.485 -6.917 1.00 0.00 C ATOM 39 CE1 PHE A 4 16.515 -1.752 -6.826 1.00 0.00 C ATOM 40 CE2 PHE A 4 14.930 -3.544 -7.240 1.00 0.00 C ATOM 41 CZ PHE A 4 15.228 -2.174 -7.191 1.00 0.00 C ATOM 0 HA PHE A 4 18.737 -6.089 -7.972 1.00 0.00 H new ATOM 0 HB2 PHE A 4 17.699 -5.992 -5.785 1.00 0.00 H new ATOM 0 HB3 PHE A 4 18.776 -4.711 -5.265 1.00 0.00 H new ATOM 0 HD1 PHE A 4 18.500 -2.366 -6.270 1.00 0.00 H new ATOM 0 HD2 PHE A 4 15.686 -5.539 -6.961 1.00 0.00 H new ATOM 0 HE1 PHE A 4 16.744 -0.698 -6.781 1.00 0.00 H new ATOM 0 HE2 PHE A 4 13.942 -3.873 -7.526 1.00 0.00 H new ATOM 0 HZ PHE A 4 14.468 -1.446 -7.434 1.00 0.00 H new ATOM 51 N GLU A 5 20.833 -3.759 -6.977 1.00 0.00 N ATOM 52 CA GLU A 5 21.622 -2.608 -7.301 1.00 0.00 C ATOM 53 C GLU A 5 22.302 -2.734 -8.652 1.00 0.00 C ATOM 54 O GLU A 5 22.142 -1.855 -9.487 1.00 0.00 O ATOM 55 CB GLU A 5 22.698 -2.475 -6.242 1.00 0.00 C ATOM 56 CG GLU A 5 22.094 -2.143 -4.877 1.00 0.00 C ATOM 57 CD GLU A 5 21.485 -3.359 -4.177 1.00 0.00 C ATOM 58 OE1 GLU A 5 21.878 -4.496 -4.534 1.00 0.00 O ATOM 59 OE2 GLU A 5 20.629 -3.144 -3.293 1.00 0.00 O ATOM 0 H GLU A 5 21.059 -4.151 -6.063 1.00 0.00 H new ATOM 0 HA GLU A 5 20.963 -1.741 -7.339 1.00 0.00 H new ATOM 0 HB2 GLU A 5 23.263 -3.405 -6.176 1.00 0.00 H new ATOM 0 HB3 GLU A 5 23.401 -1.694 -6.531 1.00 0.00 H new ATOM 0 HG2 GLU A 5 22.867 -1.714 -4.239 1.00 0.00 H new ATOM 0 HG3 GLU A 5 21.325 -1.381 -5.003 1.00 0.00 H new ATOM 66 N LYS A 6 23.066 -3.795 -8.911 1.00 0.00 N ATOM 67 CA LYS A 6 23.831 -3.825 -10.129 1.00 0.00 C ATOM 68 C LYS A 6 22.945 -3.889 -11.362 1.00 0.00 C ATOM 69 O LYS A 6 23.249 -3.276 -12.378 1.00 0.00 O ATOM 70 CB LYS A 6 24.734 -5.029 -10.035 1.00 0.00 C ATOM 71 CG LYS A 6 25.924 -4.793 -10.936 1.00 0.00 C ATOM 72 CD LYS A 6 26.926 -5.903 -10.656 1.00 0.00 C ATOM 73 CE LYS A 6 26.419 -7.234 -11.213 1.00 0.00 C ATOM 74 NZ LYS A 6 27.387 -8.320 -10.956 1.00 0.00 N ATOM 0 H LYS A 6 23.162 -4.613 -8.309 1.00 0.00 H new ATOM 0 HA LYS A 6 24.409 -2.907 -10.238 1.00 0.00 H new ATOM 0 HB2 LYS A 6 25.060 -5.181 -9.006 1.00 0.00 H new ATOM 0 HB3 LYS A 6 24.200 -5.930 -10.337 1.00 0.00 H new ATOM 0 HG2 LYS A 6 25.622 -4.802 -11.983 1.00 0.00 H new ATOM 0 HG3 LYS A 6 26.367 -3.816 -10.741 1.00 0.00 H new ATOM 0 HD2 LYS A 6 27.887 -5.656 -11.107 1.00 0.00 H new ATOM 0 HD3 LYS A 6 27.091 -5.990 -9.582 1.00 0.00 H new ATOM 0 HE2 LYS A 6 25.460 -7.481 -10.757 1.00 0.00 H new ATOM 0 HE3 LYS A 6 26.247 -7.142 -12.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 27.019 -9.212 -11.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 28.294 -8.092 -11.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 27.531 -8.421 -9.931 1.00 0.00 H new ATOM 88 N GLN A 7 21.841 -4.628 -11.270 1.00 0.00 N ATOM 89 CA GLN A 7 20.847 -4.703 -12.322 1.00 0.00 C ATOM 90 C GLN A 7 20.148 -3.355 -12.507 1.00 0.00 C ATOM 91 O GLN A 7 19.408 -3.176 -13.470 1.00 0.00 O ATOM 92 CB GLN A 7 19.868 -5.802 -11.946 1.00 0.00 C ATOM 93 CG GLN A 7 20.694 -7.058 -11.664 1.00 0.00 C ATOM 94 CD GLN A 7 19.807 -8.278 -11.615 1.00 0.00 C ATOM 95 OE1 GLN A 7 19.221 -8.616 -12.754 1.00 0.00 O flip ATOM 96 NE2 GLN A 7 19.647 -8.907 -10.572 1.00 0.00 N flip ATOM 0 H GLN A 7 21.616 -5.195 -10.452 1.00 0.00 H new ATOM 0 HA GLN A 7 21.313 -4.938 -13.279 1.00 0.00 H new ATOM 0 HB2 GLN A 7 19.287 -5.517 -11.069 1.00 0.00 H new ATOM 0 HB3 GLN A 7 19.159 -5.980 -12.754 1.00 0.00 H new ATOM 0 HG2 GLN A 7 21.451 -7.183 -12.438 1.00 0.00 H new ATOM 0 HG3 GLN A 7 21.222 -6.947 -10.717 1.00 0.00 H new ATOM 0 HE21 GLN A 7 20.120 -8.609 -9.719 1.00 0.00 H new ATOM 0 HE22 GLN A 7 19.042 -9.728 -10.559 1.00 0.00 H new ATOM 105 N LYS A 8 20.374 -2.401 -11.591 1.00 0.00 N ATOM 106 CA LYS A 8 19.793 -1.074 -11.662 1.00 0.00 C ATOM 107 C LYS A 8 20.847 -0.081 -12.126 1.00 0.00 C ATOM 108 O LYS A 8 20.570 0.769 -12.966 1.00 0.00 O ATOM 109 CB LYS A 8 19.310 -0.760 -10.254 1.00 0.00 C ATOM 110 CG LYS A 8 18.672 0.618 -10.155 1.00 0.00 C ATOM 111 CD LYS A 8 18.180 0.751 -8.722 1.00 0.00 C ATOM 112 CE LYS A 8 19.330 0.797 -7.722 1.00 0.00 C ATOM 113 NZ LYS A 8 20.050 2.084 -7.773 1.00 0.00 N ATOM 0 H LYS A 8 20.972 -2.542 -10.777 1.00 0.00 H new ATOM 0 HA LYS A 8 18.969 -1.015 -12.373 1.00 0.00 H new ATOM 0 HB2 LYS A 8 18.588 -1.515 -9.943 1.00 0.00 H new ATOM 0 HB3 LYS A 8 20.151 -0.819 -9.563 1.00 0.00 H new ATOM 0 HG2 LYS A 8 19.393 1.400 -10.394 1.00 0.00 H new ATOM 0 HG3 LYS A 8 17.848 0.718 -10.861 1.00 0.00 H new ATOM 0 HD2 LYS A 8 17.582 1.657 -8.627 1.00 0.00 H new ATOM 0 HD3 LYS A 8 17.527 -0.089 -8.484 1.00 0.00 H new ATOM 0 HE2 LYS A 8 18.943 0.637 -6.716 1.00 0.00 H new ATOM 0 HE3 LYS A 8 20.025 -0.017 -7.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 20.441 2.301 -6.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 20.825 2.021 -8.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 19.393 2.838 -8.057 1.00 0.00 H new ATOM 127 N GLU A 9 22.051 -0.207 -11.569 1.00 0.00 N ATOM 128 CA GLU A 9 23.184 0.675 -11.803 1.00 0.00 C ATOM 129 C GLU A 9 23.858 0.371 -13.129 1.00 0.00 C ATOM 130 O GLU A 9 24.493 1.241 -13.719 1.00 0.00 O ATOM 131 CB GLU A 9 24.183 0.470 -10.675 1.00 0.00 C ATOM 132 CG GLU A 9 23.494 0.813 -9.363 1.00 0.00 C ATOM 133 CD GLU A 9 23.343 2.314 -9.172 1.00 0.00 C ATOM 134 OE1 GLU A 9 24.359 2.978 -8.870 1.00 0.00 O ATOM 135 OE2 GLU A 9 22.196 2.787 -9.337 1.00 0.00 O ATOM 0 H GLU A 9 22.268 -0.959 -10.916 1.00 0.00 H new ATOM 0 HA GLU A 9 22.831 1.706 -11.835 1.00 0.00 H new ATOM 0 HB2 GLU A 9 24.535 -0.562 -10.661 1.00 0.00 H new ATOM 0 HB3 GLU A 9 25.058 1.103 -10.822 1.00 0.00 H new ATOM 0 HG2 GLU A 9 22.510 0.344 -9.337 1.00 0.00 H new ATOM 0 HG3 GLU A 9 24.067 0.398 -8.534 1.00 0.00 H new ATOM 142 N GLN A 10 23.726 -0.864 -13.608 1.00 0.00 N ATOM 143 CA GLN A 10 24.154 -1.152 -14.964 1.00 0.00 C ATOM 144 C GLN A 10 23.282 -0.359 -15.934 1.00 0.00 C ATOM 145 O GLN A 10 23.801 0.366 -16.774 1.00 0.00 O ATOM 146 CB GLN A 10 24.054 -2.653 -15.247 1.00 0.00 C ATOM 147 CG GLN A 10 24.799 -2.973 -16.543 1.00 0.00 C ATOM 148 CD GLN A 10 24.081 -4.047 -17.344 1.00 0.00 C ATOM 149 OE1 GLN A 10 23.042 -3.644 -18.069 1.00 0.00 O flip ATOM 150 NE2 GLN A 10 24.447 -5.219 -17.311 1.00 0.00 N flip ATOM 0 H GLN A 10 23.339 -1.655 -13.093 1.00 0.00 H new ATOM 0 HA GLN A 10 25.196 -0.858 -15.092 1.00 0.00 H new ATOM 0 HB2 GLN A 10 24.480 -3.220 -14.419 1.00 0.00 H new ATOM 0 HB3 GLN A 10 23.009 -2.950 -15.332 1.00 0.00 H new ATOM 0 HG2 GLN A 10 24.891 -2.069 -17.144 1.00 0.00 H new ATOM 0 HG3 GLN A 10 25.811 -3.305 -16.310 1.00 0.00 H new ATOM 0 HE21 GLN A 10 25.250 -5.487 -16.741 1.00 0.00 H new ATOM 0 HE22 GLN A 10 23.948 -5.924 -17.853 1.00 0.00 H new ATOM 159 N GLY A 11 21.952 -0.482 -15.828 1.00 0.00 N ATOM 160 CA GLY A 11 21.055 0.254 -16.709 1.00 0.00 C ATOM 161 C GLY A 11 21.187 1.758 -16.469 1.00 0.00 C ATOM 162 O GLY A 11 20.917 2.543 -17.369 1.00 0.00 O ATOM 0 H GLY A 11 21.484 -1.079 -15.146 1.00 0.00 H new ATOM 0 HA2 GLY A 11 21.287 0.024 -17.749 1.00 0.00 H new ATOM 0 HA3 GLY A 11 20.026 -0.059 -16.535 1.00 0.00 H new ATOM 166 N ASN A 12 21.605 2.156 -15.262 1.00 0.00 N ATOM 167 CA ASN A 12 21.886 3.531 -14.878 1.00 0.00 C ATOM 168 C ASN A 12 23.062 4.094 -15.682 1.00 0.00 C ATOM 169 O ASN A 12 23.499 5.220 -15.451 1.00 0.00 O ATOM 170 CB ASN A 12 22.211 3.490 -13.388 1.00 0.00 C ATOM 171 CG ASN A 12 22.217 4.799 -12.620 1.00 0.00 C ATOM 172 OD1 ASN A 12 22.020 5.883 -13.159 1.00 0.00 O ATOM 173 ND2 ASN A 12 22.450 4.658 -11.320 1.00 0.00 N ATOM 0 H ASN A 12 21.761 1.496 -14.500 1.00 0.00 H new ATOM 0 HA ASN A 12 21.036 4.183 -15.081 1.00 0.00 H new ATOM 0 HB2 ASN A 12 21.492 2.826 -12.908 1.00 0.00 H new ATOM 0 HB3 ASN A 12 23.194 3.032 -13.274 1.00 0.00 H new ATOM 0 HD21 ASN A 12 22.472 5.478 -10.714 1.00 0.00 H new ATOM 0 HD22 ASN A 12 22.607 3.730 -10.928 1.00 0.00 H new ATOM 180 N SER A 13 23.577 3.315 -16.632 1.00 0.00 N ATOM 181 CA SER A 13 24.586 3.777 -17.573 1.00 0.00 C ATOM 182 C SER A 13 24.386 3.164 -18.960 1.00 0.00 C ATOM 183 O SER A 13 25.270 3.263 -19.805 1.00 0.00 O ATOM 184 CB SER A 13 25.983 3.506 -17.015 1.00 0.00 C ATOM 185 OG SER A 13 26.232 2.121 -16.911 1.00 0.00 O ATOM 0 H SER A 13 23.302 2.342 -16.768 1.00 0.00 H new ATOM 0 HA SER A 13 24.478 4.854 -17.699 1.00 0.00 H new ATOM 0 HB2 SER A 13 26.731 3.965 -17.662 1.00 0.00 H new ATOM 0 HB3 SER A 13 26.082 3.970 -16.034 1.00 0.00 H new ATOM 0 HG SER A 13 25.382 1.633 -16.936 1.00 0.00 H new ATOM 191 N LEU A 14 23.228 2.540 -19.208 1.00 0.00 N ATOM 192 CA LEU A 14 22.810 2.134 -20.546 1.00 0.00 C ATOM 193 C LEU A 14 21.617 2.995 -20.973 1.00 0.00 C ATOM 194 O LEU A 14 21.442 3.270 -22.158 1.00 0.00 O ATOM 195 CB LEU A 14 22.440 0.643 -20.570 1.00 0.00 C ATOM 196 CG LEU A 14 23.638 -0.280 -20.783 1.00 0.00 C ATOM 197 CD1 LEU A 14 24.236 -0.539 -19.428 1.00 0.00 C ATOM 198 CD2 LEU A 14 23.208 -1.621 -21.362 1.00 0.00 C ATOM 0 H LEU A 14 22.555 2.304 -18.479 1.00 0.00 H new ATOM 0 HA LEU A 14 23.633 2.280 -21.245 1.00 0.00 H new ATOM 0 HB2 LEU A 14 21.954 0.383 -19.630 1.00 0.00 H new ATOM 0 HB3 LEU A 14 21.713 0.470 -21.364 1.00 0.00 H new ATOM 0 HG LEU A 14 24.338 0.189 -21.474 1.00 0.00 H new ATOM 0 HD11 LEU A 14 25.099 -1.197 -19.531 1.00 0.00 H new ATOM 0 HD12 LEU A 14 24.550 0.405 -18.983 1.00 0.00 H new ATOM 0 HD13 LEU A 14 23.493 -1.013 -18.787 1.00 0.00 H new ATOM 0 HD21 LEU A 14 24.084 -2.255 -21.502 1.00 0.00 H new ATOM 0 HD22 LEU A 14 22.514 -2.107 -20.677 1.00 0.00 H new ATOM 0 HD23 LEU A 14 22.718 -1.462 -22.323 1.00 0.00 H new ATOM 210 N PHE A 15 20.795 3.427 -20.013 1.00 0.00 N ATOM 211 CA PHE A 15 19.676 4.324 -20.265 1.00 0.00 C ATOM 212 C PHE A 15 20.199 5.698 -20.651 1.00 0.00 C ATOM 213 O PHE A 15 19.595 6.393 -21.465 1.00 0.00 O ATOM 214 CB PHE A 15 18.859 4.428 -18.975 1.00 0.00 C ATOM 215 CG PHE A 15 18.026 5.680 -18.796 1.00 0.00 C ATOM 216 CD1 PHE A 15 16.862 5.875 -19.550 1.00 0.00 C ATOM 217 CD2 PHE A 15 18.418 6.644 -17.853 1.00 0.00 C ATOM 218 CE1 PHE A 15 16.089 7.028 -19.360 1.00 0.00 C ATOM 219 CE2 PHE A 15 17.618 7.766 -17.624 1.00 0.00 C ATOM 220 CZ PHE A 15 16.464 7.974 -18.392 1.00 0.00 C ATOM 0 H PHE A 15 20.892 3.159 -19.034 1.00 0.00 H new ATOM 0 HA PHE A 15 19.058 3.944 -21.079 1.00 0.00 H new ATOM 0 HB2 PHE A 15 18.193 3.566 -18.924 1.00 0.00 H new ATOM 0 HB3 PHE A 15 19.545 4.352 -18.131 1.00 0.00 H new ATOM 0 HD1 PHE A 15 16.560 5.137 -20.278 1.00 0.00 H new ATOM 0 HD2 PHE A 15 19.339 6.518 -17.304 1.00 0.00 H new ATOM 0 HE1 PHE A 15 15.204 7.189 -19.958 1.00 0.00 H new ATOM 0 HE2 PHE A 15 17.889 8.474 -16.855 1.00 0.00 H new ATOM 0 HZ PHE A 15 15.865 8.859 -18.240 1.00 0.00 H new ATOM 230 N LYS A 16 21.329 6.087 -20.065 1.00 0.00 N ATOM 231 CA LYS A 16 21.896 7.405 -20.264 1.00 0.00 C ATOM 232 C LYS A 16 22.724 7.506 -21.549 1.00 0.00 C ATOM 233 O LYS A 16 23.300 8.559 -21.819 1.00 0.00 O ATOM 234 CB LYS A 16 22.769 7.732 -19.056 1.00 0.00 C ATOM 235 CG LYS A 16 22.064 7.326 -17.768 1.00 0.00 C ATOM 236 CD LYS A 16 22.836 7.820 -16.559 1.00 0.00 C ATOM 237 CE LYS A 16 22.695 9.334 -16.403 1.00 0.00 C ATOM 238 NZ LYS A 16 23.399 9.807 -15.199 1.00 0.00 N ATOM 0 H LYS A 16 21.872 5.492 -19.440 1.00 0.00 H new ATOM 0 HA LYS A 16 21.079 8.119 -20.366 1.00 0.00 H new ATOM 0 HB2 LYS A 16 23.723 7.210 -19.136 1.00 0.00 H new ATOM 0 HB3 LYS A 16 22.990 8.799 -19.037 1.00 0.00 H new ATOM 0 HG2 LYS A 16 21.054 7.737 -17.754 1.00 0.00 H new ATOM 0 HG3 LYS A 16 21.967 6.241 -17.726 1.00 0.00 H new ATOM 0 HD2 LYS A 16 22.470 7.322 -15.661 1.00 0.00 H new ATOM 0 HD3 LYS A 16 23.889 7.558 -16.663 1.00 0.00 H new ATOM 0 HE2 LYS A 16 23.098 9.833 -17.284 1.00 0.00 H new ATOM 0 HE3 LYS A 16 21.640 9.600 -16.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 23.289 10.838 -15.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 22.997 9.346 -14.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 24.409 9.572 -15.273 1.00 0.00 H new ATOM 252 N GLN A 17 22.800 6.426 -22.339 1.00 0.00 N ATOM 253 CA GLN A 17 23.681 6.352 -23.495 1.00 0.00 C ATOM 254 C GLN A 17 22.941 6.332 -24.824 1.00 0.00 C ATOM 255 O GLN A 17 23.571 6.509 -25.866 1.00 0.00 O ATOM 256 CB GLN A 17 24.496 5.067 -23.384 1.00 0.00 C ATOM 257 CG GLN A 17 25.511 5.180 -22.251 1.00 0.00 C ATOM 258 CD GLN A 17 26.599 4.114 -22.367 1.00 0.00 C ATOM 259 OE1 GLN A 17 27.786 4.421 -22.311 1.00 0.00 O ATOM 260 NE2 GLN A 17 26.209 2.853 -22.528 1.00 0.00 N ATOM 0 H GLN A 17 22.248 5.582 -22.187 1.00 0.00 H new ATOM 0 HA GLN A 17 24.302 7.248 -23.488 1.00 0.00 H new ATOM 0 HB2 GLN A 17 23.832 4.222 -23.204 1.00 0.00 H new ATOM 0 HB3 GLN A 17 25.011 4.873 -24.325 1.00 0.00 H new ATOM 0 HG2 GLN A 17 25.967 6.170 -22.267 1.00 0.00 H new ATOM 0 HG3 GLN A 17 25.001 5.079 -21.293 1.00 0.00 H new ATOM 0 HE21 GLN A 17 25.215 2.628 -22.571 1.00 0.00 H new ATOM 0 HE22 GLN A 17 26.904 2.111 -22.609 1.00 0.00 H new ATOM 269 N GLY A 18 21.623 6.116 -24.816 1.00 0.00 N ATOM 270 CA GLY A 18 20.879 6.009 -26.065 1.00 0.00 C ATOM 271 C GLY A 18 20.054 4.750 -26.159 1.00 0.00 C ATOM 272 O GLY A 18 19.082 4.681 -26.908 1.00 0.00 O ATOM 0 H GLY A 18 21.060 6.014 -23.971 1.00 0.00 H new ATOM 0 HA2 GLY A 18 20.223 6.874 -26.165 1.00 0.00 H new ATOM 0 HA3 GLY A 18 21.578 6.041 -26.901 1.00 0.00 H new ATOM 276 N LEU A 19 20.464 3.749 -25.385 1.00 0.00 N ATOM 277 CA LEU A 19 19.960 2.407 -25.532 1.00 0.00 C ATOM 278 C LEU A 19 19.080 2.050 -24.356 1.00 0.00 C ATOM 279 O LEU A 19 19.338 1.139 -23.572 1.00 0.00 O ATOM 280 CB LEU A 19 21.104 1.461 -25.851 1.00 0.00 C ATOM 281 CG LEU A 19 22.457 1.744 -25.183 1.00 0.00 C ATOM 282 CD1 LEU A 19 22.589 0.903 -23.919 1.00 0.00 C ATOM 283 CD2 LEU A 19 23.593 1.351 -26.125 1.00 0.00 C ATOM 0 H LEU A 19 21.155 3.856 -24.642 1.00 0.00 H new ATOM 0 HA LEU A 19 19.293 2.315 -26.389 1.00 0.00 H new ATOM 0 HB2 LEU A 19 20.795 0.453 -25.575 1.00 0.00 H new ATOM 0 HB3 LEU A 19 21.253 1.464 -26.931 1.00 0.00 H new ATOM 0 HG LEU A 19 22.511 2.806 -24.945 1.00 0.00 H new ATOM 0 HD11 LEU A 19 23.550 1.105 -23.446 1.00 0.00 H new ATOM 0 HD12 LEU A 19 21.784 1.156 -23.228 1.00 0.00 H new ATOM 0 HD13 LEU A 19 22.527 -0.154 -24.177 1.00 0.00 H new ATOM 0 HD21 LEU A 19 24.550 1.554 -25.645 1.00 0.00 H new ATOM 0 HD22 LEU A 19 23.522 0.288 -26.357 1.00 0.00 H new ATOM 0 HD23 LEU A 19 23.519 1.929 -27.046 1.00 0.00 H new ATOM 295 N TYR A 20 18.010 2.832 -24.284 1.00 0.00 N ATOM 296 CA TYR A 20 16.980 2.766 -23.276 1.00 0.00 C ATOM 297 C TYR A 20 16.493 1.341 -23.080 1.00 0.00 C ATOM 298 O TYR A 20 16.212 0.951 -21.954 1.00 0.00 O ATOM 299 CB TYR A 20 15.866 3.688 -23.766 1.00 0.00 C ATOM 300 CG TYR A 20 16.415 5.022 -24.206 1.00 0.00 C ATOM 301 CD1 TYR A 20 17.132 5.812 -23.297 1.00 0.00 C ATOM 302 CD2 TYR A 20 16.226 5.460 -25.527 1.00 0.00 C ATOM 303 CE1 TYR A 20 17.671 7.040 -23.713 1.00 0.00 C ATOM 304 CE2 TYR A 20 16.760 6.686 -25.947 1.00 0.00 C ATOM 305 CZ TYR A 20 17.486 7.481 -25.041 1.00 0.00 C ATOM 306 OH TYR A 20 18.012 8.673 -25.440 1.00 0.00 O ATOM 0 H TYR A 20 17.836 3.567 -24.969 1.00 0.00 H new ATOM 0 HA TYR A 20 17.349 3.082 -22.300 1.00 0.00 H new ATOM 0 HB2 TYR A 20 15.339 3.217 -24.596 1.00 0.00 H new ATOM 0 HB3 TYR A 20 15.137 3.837 -22.969 1.00 0.00 H new ATOM 0 HD1 TYR A 20 17.270 5.477 -22.279 1.00 0.00 H new ATOM 0 HD2 TYR A 20 15.667 4.850 -26.222 1.00 0.00 H new ATOM 0 HE1 TYR A 20 18.228 7.648 -23.016 1.00 0.00 H new ATOM 0 HE2 TYR A 20 16.615 7.020 -26.964 1.00 0.00 H new ATOM 0 HH TYR A 20 17.795 8.827 -26.383 1.00 0.00 H new ATOM 316 N ARG A 21 16.394 0.547 -24.153 1.00 0.00 N ATOM 317 CA ARG A 21 15.885 -0.812 -24.053 1.00 0.00 C ATOM 318 C ARG A 21 16.934 -1.704 -23.415 1.00 0.00 C ATOM 319 O ARG A 21 16.614 -2.558 -22.595 1.00 0.00 O ATOM 320 CB ARG A 21 15.596 -1.303 -25.470 1.00 0.00 C ATOM 321 CG ARG A 21 14.446 -2.301 -25.507 1.00 0.00 C ATOM 322 CD ARG A 21 14.487 -3.315 -24.363 1.00 0.00 C ATOM 323 NE ARG A 21 13.434 -4.325 -24.514 1.00 0.00 N ATOM 324 CZ ARG A 21 13.594 -5.493 -25.144 1.00 0.00 C ATOM 325 NH1 ARG A 21 14.758 -5.817 -25.701 1.00 0.00 N ATOM 326 NH2 ARG A 21 12.582 -6.351 -25.220 1.00 0.00 N ATOM 0 H ARG A 21 16.661 0.829 -25.096 1.00 0.00 H new ATOM 0 HA ARG A 21 14.982 -0.838 -23.443 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.357 -0.451 -26.107 1.00 0.00 H new ATOM 0 HB3 ARG A 21 16.492 -1.767 -25.882 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.502 -1.758 -25.468 1.00 0.00 H new ATOM 0 HG3 ARG A 21 14.468 -2.835 -26.457 1.00 0.00 H new ATOM 0 HD2 ARG A 21 15.462 -3.802 -24.340 1.00 0.00 H new ATOM 0 HD3 ARG A 21 14.366 -2.799 -23.411 1.00 0.00 H new ATOM 0 HE ARG A 21 12.519 -4.123 -24.112 1.00 0.00 H new ATOM 0 HH11 ARG A 21 15.545 -5.170 -25.651 1.00 0.00 H new ATOM 0 HH12 ARG A 21 14.863 -6.712 -26.178 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.683 -6.118 -24.798 1.00 0.00 H new ATOM 0 HH22 ARG A 21 12.704 -7.242 -25.701 1.00 0.00 H new ATOM 340 N GLU A 22 18.195 -1.508 -23.789 1.00 0.00 N ATOM 341 CA GLU A 22 19.284 -2.268 -23.203 1.00 0.00 C ATOM 342 C GLU A 22 19.451 -1.869 -21.736 1.00 0.00 C ATOM 343 O GLU A 22 20.163 -2.530 -20.983 1.00 0.00 O ATOM 344 CB GLU A 22 20.576 -2.016 -23.969 1.00 0.00 C ATOM 345 CG GLU A 22 20.426 -2.385 -25.444 1.00 0.00 C ATOM 346 CD GLU A 22 21.736 -2.219 -26.212 1.00 0.00 C ATOM 347 OE1 GLU A 22 22.779 -2.673 -25.695 1.00 0.00 O ATOM 348 OE2 GLU A 22 21.675 -1.637 -27.319 1.00 0.00 O ATOM 0 H GLU A 22 18.483 -0.830 -24.494 1.00 0.00 H new ATOM 0 HA GLU A 22 19.052 -3.331 -23.262 1.00 0.00 H new ATOM 0 HB2 GLU A 22 20.855 -0.966 -23.881 1.00 0.00 H new ATOM 0 HB3 GLU A 22 21.384 -2.599 -23.526 1.00 0.00 H new ATOM 0 HG2 GLU A 22 20.086 -3.417 -25.527 1.00 0.00 H new ATOM 0 HG3 GLU A 22 19.658 -1.759 -25.898 1.00 0.00 H new ATOM 355 N ALA A 23 18.791 -0.783 -21.331 1.00 0.00 N ATOM 356 CA ALA A 23 18.682 -0.418 -19.940 1.00 0.00 C ATOM 357 C ALA A 23 17.496 -1.155 -19.299 1.00 0.00 C ATOM 358 O ALA A 23 17.649 -1.745 -18.230 1.00 0.00 O ATOM 359 CB ALA A 23 18.504 1.095 -19.849 1.00 0.00 C ATOM 0 H ALA A 23 18.321 -0.139 -21.967 1.00 0.00 H new ATOM 0 HA ALA A 23 19.584 -0.705 -19.399 1.00 0.00 H new ATOM 0 HB1 ALA A 23 18.420 1.389 -18.803 1.00 0.00 H new ATOM 0 HB2 ALA A 23 19.365 1.590 -20.297 1.00 0.00 H new ATOM 0 HB3 ALA A 23 17.599 1.388 -20.382 1.00 0.00 H new ATOM 365 N VAL A 24 16.311 -1.139 -19.932 1.00 0.00 N ATOM 366 CA VAL A 24 15.112 -1.733 -19.384 1.00 0.00 C ATOM 367 C VAL A 24 15.203 -3.236 -19.271 1.00 0.00 C ATOM 368 O VAL A 24 14.711 -3.836 -18.324 1.00 0.00 O ATOM 369 CB VAL A 24 13.855 -1.391 -20.185 1.00 0.00 C ATOM 370 CG1 VAL A 24 13.839 -0.074 -20.930 1.00 0.00 C ATOM 371 CG2 VAL A 24 13.205 -2.532 -20.937 1.00 0.00 C ATOM 0 H VAL A 24 16.173 -0.706 -20.845 1.00 0.00 H new ATOM 0 HA VAL A 24 15.031 -1.299 -18.388 1.00 0.00 H new ATOM 0 HB VAL A 24 13.174 -1.200 -19.355 1.00 0.00 H new ATOM 0 HG11 VAL A 24 12.889 0.037 -21.453 1.00 0.00 H new ATOM 0 HG12 VAL A 24 13.962 0.746 -20.222 1.00 0.00 H new ATOM 0 HG13 VAL A 24 14.655 -0.055 -21.652 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.325 -2.165 -21.465 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.913 -2.945 -21.655 1.00 0.00 H new ATOM 0 HG23 VAL A 24 12.908 -3.309 -20.233 1.00 0.00 H new ATOM 381 N HIS A 25 15.841 -3.850 -20.255 1.00 0.00 N ATOM 382 CA HIS A 25 15.967 -5.291 -20.289 1.00 0.00 C ATOM 383 C HIS A 25 16.897 -5.817 -19.187 1.00 0.00 C ATOM 384 O HIS A 25 17.177 -7.012 -19.132 1.00 0.00 O ATOM 385 CB HIS A 25 16.322 -5.742 -21.709 1.00 0.00 C ATOM 386 CG HIS A 25 17.785 -5.743 -22.053 1.00 0.00 C ATOM 387 ND1 HIS A 25 18.733 -4.923 -21.522 1.00 0.00 N flip ATOM 388 CD2 HIS A 25 18.380 -6.596 -22.985 1.00 0.00 C flip ATOM 389 CE1 HIS A 25 19.925 -5.275 -22.110 1.00 0.00 C flip ATOM 390 NE2 HIS A 25 19.678 -6.262 -22.991 1.00 0.00 N flip ATOM 0 H HIS A 25 16.279 -3.368 -21.040 1.00 0.00 H new ATOM 0 HA HIS A 25 15.007 -5.750 -20.052 1.00 0.00 H new ATOM 0 HB2 HIS A 25 15.934 -6.750 -21.857 1.00 0.00 H new ATOM 0 HB3 HIS A 25 15.803 -5.094 -22.415 1.00 0.00 H new ATOM 0 HD1 HIS A 25 18.588 -4.192 -20.826 1.00 0.00 H new ATOM 0 HD2 HIS A 25 17.897 -7.361 -23.575 1.00 0.00 H new ATOM 0 HE1 HIS A 25 20.890 -4.837 -21.902 1.00 0.00 H new ATOM 398 N CYS A 26 17.367 -4.916 -18.315 1.00 0.00 N ATOM 399 CA CYS A 26 18.103 -5.247 -17.103 1.00 0.00 C ATOM 400 C CYS A 26 17.363 -4.670 -15.890 1.00 0.00 C ATOM 401 O CYS A 26 17.425 -5.223 -14.791 1.00 0.00 O ATOM 402 CB CYS A 26 19.529 -4.698 -17.191 1.00 0.00 C ATOM 403 SG CYS A 26 20.408 -5.542 -18.532 1.00 0.00 S ATOM 0 H CYS A 26 17.239 -3.912 -18.443 1.00 0.00 H new ATOM 0 HA CYS A 26 18.166 -6.329 -16.992 1.00 0.00 H new ATOM 0 HB2 CYS A 26 19.508 -3.624 -17.373 1.00 0.00 H new ATOM 0 HB3 CYS A 26 20.050 -4.851 -16.246 1.00 0.00 H new ATOM 0 HG CYS A 26 21.600 -5.039 -18.654 1.00 0.00 H new ATOM 409 N TYR A 27 16.656 -3.555 -16.099 1.00 0.00 N ATOM 410 CA TYR A 27 15.721 -2.965 -15.153 1.00 0.00 C ATOM 411 C TYR A 27 14.570 -3.917 -14.869 1.00 0.00 C ATOM 412 O TYR A 27 14.042 -3.933 -13.762 1.00 0.00 O ATOM 413 CB TYR A 27 15.112 -1.754 -15.846 1.00 0.00 C ATOM 414 CG TYR A 27 15.974 -0.531 -16.026 1.00 0.00 C ATOM 415 CD1 TYR A 27 17.199 -0.381 -15.353 1.00 0.00 C ATOM 416 CD2 TYR A 27 15.505 0.489 -16.868 1.00 0.00 C ATOM 417 CE1 TYR A 27 17.925 0.809 -15.492 1.00 0.00 C ATOM 418 CE2 TYR A 27 16.220 1.679 -17.008 1.00 0.00 C ATOM 419 CZ TYR A 27 17.435 1.846 -16.314 1.00 0.00 C ATOM 420 OH TYR A 27 18.129 3.010 -16.432 1.00 0.00 O ATOM 0 H TYR A 27 16.726 -3.023 -16.967 1.00 0.00 H new ATOM 0 HA TYR A 27 16.241 -2.726 -14.225 1.00 0.00 H new ATOM 0 HB2 TYR A 27 14.772 -2.070 -16.832 1.00 0.00 H new ATOM 0 HB3 TYR A 27 14.227 -1.458 -15.283 1.00 0.00 H new ATOM 0 HD1 TYR A 27 17.578 -1.179 -14.732 1.00 0.00 H new ATOM 0 HD2 TYR A 27 14.582 0.352 -17.412 1.00 0.00 H new ATOM 0 HE1 TYR A 27 18.862 0.933 -14.969 1.00 0.00 H new ATOM 0 HE2 TYR A 27 15.845 2.467 -17.644 1.00 0.00 H new ATOM 0 HH TYR A 27 17.526 3.767 -16.281 1.00 0.00 H new ATOM 430 N ASP A 28 14.176 -4.709 -15.867 1.00 0.00 N ATOM 431 CA ASP A 28 13.052 -5.616 -15.754 1.00 0.00 C ATOM 432 C ASP A 28 13.275 -6.626 -14.633 1.00 0.00 C ATOM 433 O ASP A 28 12.311 -7.112 -14.044 1.00 0.00 O ATOM 434 CB ASP A 28 12.833 -6.301 -17.101 1.00 0.00 C ATOM 435 CG ASP A 28 11.541 -7.111 -17.104 1.00 0.00 C ATOM 436 OD1 ASP A 28 10.471 -6.476 -16.982 1.00 0.00 O ATOM 437 OD2 ASP A 28 11.634 -8.351 -17.227 1.00 0.00 O ATOM 0 H ASP A 28 14.635 -4.733 -16.777 1.00 0.00 H new ATOM 0 HA ASP A 28 12.153 -5.057 -15.494 1.00 0.00 H new ATOM 0 HB2 ASP A 28 12.797 -5.551 -17.892 1.00 0.00 H new ATOM 0 HB3 ASP A 28 13.676 -6.956 -17.320 1.00 0.00 H new ATOM 442 N GLN A 29 14.538 -6.951 -14.328 1.00 0.00 N ATOM 443 CA GLN A 29 14.812 -7.863 -13.235 1.00 0.00 C ATOM 444 C GLN A 29 14.653 -7.193 -11.868 1.00 0.00 C ATOM 445 O GLN A 29 14.522 -7.891 -10.870 1.00 0.00 O ATOM 446 CB GLN A 29 16.212 -8.453 -13.354 1.00 0.00 C ATOM 447 CG GLN A 29 16.309 -9.373 -14.568 1.00 0.00 C ATOM 448 CD GLN A 29 16.938 -8.683 -15.767 1.00 0.00 C ATOM 449 OE1 GLN A 29 18.093 -8.261 -15.711 1.00 0.00 O ATOM 450 NE2 GLN A 29 16.194 -8.558 -16.860 1.00 0.00 N ATOM 0 H GLN A 29 15.362 -6.600 -14.816 1.00 0.00 H new ATOM 0 HA GLN A 29 14.075 -8.663 -13.307 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.944 -7.650 -13.441 1.00 0.00 H new ATOM 0 HB3 GLN A 29 16.455 -9.010 -12.449 1.00 0.00 H new ATOM 0 HG2 GLN A 29 16.898 -10.253 -14.308 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.312 -9.724 -14.835 1.00 0.00 H new ATOM 0 HE21 GLN A 29 15.240 -8.919 -16.872 1.00 0.00 H new ATOM 0 HE22 GLN A 29 16.576 -8.101 -17.688 1.00 0.00 H new ATOM 459 N LEU A 30 14.658 -5.855 -11.801 1.00 0.00 N ATOM 460 CA LEU A 30 14.398 -5.150 -10.551 1.00 0.00 C ATOM 461 C LEU A 30 12.975 -5.452 -10.116 1.00 0.00 C ATOM 462 O LEU A 30 12.694 -5.552 -8.927 1.00 0.00 O ATOM 463 CB LEU A 30 14.534 -3.646 -10.773 1.00 0.00 C ATOM 464 CG LEU A 30 15.895 -3.246 -11.320 1.00 0.00 C ATOM 465 CD1 LEU A 30 16.033 -1.727 -11.319 1.00 0.00 C ATOM 466 CD2 LEU A 30 17.034 -3.859 -10.514 1.00 0.00 C ATOM 0 H LEU A 30 14.839 -5.246 -12.599 1.00 0.00 H new ATOM 0 HA LEU A 30 15.109 -5.472 -9.791 1.00 0.00 H new ATOM 0 HB2 LEU A 30 13.759 -3.315 -11.465 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.361 -3.128 -9.830 1.00 0.00 H new ATOM 0 HG LEU A 30 15.961 -3.625 -12.340 1.00 0.00 H new ATOM 0 HD11 LEU A 30 17.011 -1.450 -11.712 1.00 0.00 H new ATOM 0 HD12 LEU A 30 15.254 -1.290 -11.944 1.00 0.00 H new ATOM 0 HD13 LEU A 30 15.933 -1.353 -10.300 1.00 0.00 H new ATOM 0 HD21 LEU A 30 17.989 -3.548 -10.938 1.00 0.00 H new ATOM 0 HD22 LEU A 30 16.970 -3.522 -9.479 1.00 0.00 H new ATOM 0 HD23 LEU A 30 16.959 -4.946 -10.547 1.00 0.00 H new ATOM 478 N ILE A 31 12.074 -5.596 -11.093 1.00 0.00 N ATOM 479 CA ILE A 31 10.690 -5.899 -10.797 1.00 0.00 C ATOM 480 C ILE A 31 10.538 -7.390 -10.529 1.00 0.00 C ATOM 481 O ILE A 31 9.787 -7.787 -9.653 1.00 0.00 O ATOM 482 CB ILE A 31 9.781 -5.472 -11.951 1.00 0.00 C ATOM 483 CG1 ILE A 31 10.012 -4.022 -12.378 1.00 0.00 C ATOM 484 CG2 ILE A 31 8.374 -5.543 -11.394 1.00 0.00 C ATOM 485 CD1 ILE A 31 10.831 -3.955 -13.662 1.00 0.00 C ATOM 0 H ILE A 31 12.287 -5.506 -12.087 1.00 0.00 H new ATOM 0 HA ILE A 31 10.392 -5.342 -9.909 1.00 0.00 H new ATOM 0 HB ILE A 31 9.969 -6.110 -12.815 1.00 0.00 H new ATOM 0 HG12 ILE A 31 9.053 -3.526 -12.528 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.529 -3.483 -11.584 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.662 -5.250 -12.166 1.00 0.00 H new ATOM 0 HG22 ILE A 31 8.161 -6.562 -11.072 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.285 -4.868 -10.543 1.00 0.00 H new ATOM 0 HD11 ILE A 31 10.981 -2.913 -13.944 1.00 0.00 H new ATOM 0 HD12 ILE A 31 11.799 -4.430 -13.502 1.00 0.00 H new ATOM 0 HD13 ILE A 31 10.300 -4.474 -14.460 1.00 0.00 H new ATOM 497 N THR A 32 11.230 -8.251 -11.257 1.00 0.00 N ATOM 498 CA THR A 32 11.109 -9.675 -10.991 1.00 0.00 C ATOM 499 C THR A 32 11.796 -10.056 -9.679 1.00 0.00 C ATOM 500 O THR A 32 11.419 -11.051 -9.061 1.00 0.00 O ATOM 501 CB THR A 32 11.758 -10.408 -12.164 1.00 0.00 C ATOM 502 OG1 THR A 32 10.958 -10.245 -13.315 1.00 0.00 O ATOM 503 CG2 THR A 32 11.980 -11.894 -11.922 1.00 0.00 C ATOM 0 H THR A 32 11.864 -8.000 -12.016 1.00 0.00 H new ATOM 0 HA THR A 32 10.059 -9.950 -10.889 1.00 0.00 H new ATOM 0 HB THR A 32 12.745 -9.963 -12.294 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.372 -10.713 -14.070 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.444 -12.340 -12.801 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.633 -12.029 -11.059 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.022 -12.379 -11.732 1.00 0.00 H new ATOM 511 N ALA A 33 12.792 -9.283 -9.240 1.00 0.00 N ATOM 512 CA ALA A 33 13.466 -9.561 -7.984 1.00 0.00 C ATOM 513 C ALA A 33 12.720 -8.900 -6.829 1.00 0.00 C ATOM 514 O ALA A 33 12.764 -9.381 -5.698 1.00 0.00 O ATOM 515 CB ALA A 33 14.898 -9.024 -8.038 1.00 0.00 C ATOM 0 H ALA A 33 13.143 -8.465 -9.738 1.00 0.00 H new ATOM 0 HA ALA A 33 13.485 -10.639 -7.826 1.00 0.00 H new ATOM 0 HB1 ALA A 33 15.401 -9.234 -7.094 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.437 -9.508 -8.852 1.00 0.00 H new ATOM 0 HB3 ALA A 33 14.877 -7.947 -8.206 1.00 0.00 H new ATOM 521 N GLN A 34 12.035 -7.791 -7.125 1.00 0.00 N ATOM 522 CA GLN A 34 11.266 -7.044 -6.158 1.00 0.00 C ATOM 523 C GLN A 34 10.035 -6.458 -6.837 1.00 0.00 C ATOM 524 O GLN A 34 9.932 -5.264 -7.084 1.00 0.00 O ATOM 525 CB GLN A 34 12.192 -5.966 -5.635 1.00 0.00 C ATOM 526 CG GLN A 34 12.037 -5.646 -4.153 1.00 0.00 C ATOM 527 CD GLN A 34 13.142 -4.653 -3.824 1.00 0.00 C ATOM 528 OE1 GLN A 34 14.346 -4.955 -4.313 1.00 0.00 O flip ATOM 529 NE2 GLN A 34 12.923 -3.645 -3.156 1.00 0.00 N flip ATOM 0 H GLN A 34 12.007 -7.391 -8.063 1.00 0.00 H new ATOM 0 HA GLN A 34 10.907 -7.663 -5.335 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.222 -6.272 -5.819 1.00 0.00 H new ATOM 0 HB3 GLN A 34 12.023 -5.054 -6.208 1.00 0.00 H new ATOM 0 HG2 GLN A 34 11.055 -5.221 -3.946 1.00 0.00 H new ATOM 0 HG3 GLN A 34 12.128 -6.547 -3.547 1.00 0.00 H new ATOM 0 HE21 GLN A 34 11.983 -3.460 -2.805 1.00 0.00 H new ATOM 0 HE22 GLN A 34 13.681 -2.993 -2.952 1.00 0.00 H new ATOM 538 N PRO A 35 9.080 -7.327 -7.148 1.00 0.00 N ATOM 539 CA PRO A 35 7.895 -6.983 -7.914 1.00 0.00 C ATOM 540 C PRO A 35 6.977 -6.087 -7.116 1.00 0.00 C ATOM 541 O PRO A 35 5.997 -5.541 -7.619 1.00 0.00 O ATOM 542 CB PRO A 35 7.271 -8.312 -8.286 1.00 0.00 C ATOM 543 CG PRO A 35 7.960 -9.375 -7.432 1.00 0.00 C ATOM 544 CD PRO A 35 9.133 -8.714 -6.756 1.00 0.00 C ATOM 0 HA PRO A 35 8.121 -6.406 -8.811 1.00 0.00 H new ATOM 0 HB2 PRO A 35 6.197 -8.301 -8.099 1.00 0.00 H new ATOM 0 HB3 PRO A 35 7.407 -8.520 -9.347 1.00 0.00 H new ATOM 0 HG2 PRO A 35 7.269 -9.781 -6.693 1.00 0.00 H new ATOM 0 HG3 PRO A 35 8.292 -10.209 -8.050 1.00 0.00 H new ATOM 0 HD2 PRO A 35 9.069 -8.817 -5.673 1.00 0.00 H new ATOM 0 HD3 PRO A 35 10.072 -9.172 -7.065 1.00 0.00 H new ATOM 552 N GLN A 36 7.341 -5.961 -5.846 1.00 0.00 N ATOM 553 CA GLN A 36 6.778 -4.981 -4.936 1.00 0.00 C ATOM 554 C GLN A 36 7.758 -3.848 -4.628 1.00 0.00 C ATOM 555 O GLN A 36 7.928 -3.461 -3.473 1.00 0.00 O ATOM 556 CB GLN A 36 6.251 -5.624 -3.657 1.00 0.00 C ATOM 557 CG GLN A 36 5.331 -6.814 -3.923 1.00 0.00 C ATOM 558 CD GLN A 36 6.047 -8.103 -3.547 1.00 0.00 C ATOM 559 OE1 GLN A 36 6.896 -8.589 -4.443 1.00 0.00 O flip ATOM 560 NE2 GLN A 36 5.844 -8.651 -2.465 1.00 0.00 N flip ATOM 0 H GLN A 36 8.052 -6.552 -5.414 1.00 0.00 H new ATOM 0 HA GLN A 36 5.926 -4.537 -5.451 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.093 -5.952 -3.048 1.00 0.00 H new ATOM 0 HB3 GLN A 36 5.710 -4.876 -3.077 1.00 0.00 H new ATOM 0 HG2 GLN A 36 4.413 -6.714 -3.345 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.045 -6.838 -4.974 1.00 0.00 H new ATOM 0 HE21 GLN A 36 5.183 -8.244 -1.804 1.00 0.00 H new ATOM 0 HE22 GLN A 36 6.337 -9.512 -2.229 1.00 0.00 H new ATOM 569 N ASN A 37 8.406 -3.319 -5.666 1.00 0.00 N ATOM 570 CA ASN A 37 9.308 -2.183 -5.547 1.00 0.00 C ATOM 571 C ASN A 37 9.063 -1.233 -6.719 1.00 0.00 C ATOM 572 O ASN A 37 8.940 -1.678 -7.859 1.00 0.00 O ATOM 573 CB ASN A 37 10.757 -2.678 -5.527 1.00 0.00 C ATOM 574 CG ASN A 37 11.508 -2.303 -6.791 1.00 0.00 C ATOM 575 OD1 ASN A 37 12.191 -1.290 -6.851 1.00 0.00 O ATOM 576 ND2 ASN A 37 11.378 -3.128 -7.815 1.00 0.00 N ATOM 0 H ASN A 37 8.316 -3.673 -6.619 1.00 0.00 H new ATOM 0 HA ASN A 37 9.123 -1.646 -4.617 1.00 0.00 H new ATOM 0 HB2 ASN A 37 11.271 -2.257 -4.663 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.767 -3.761 -5.408 1.00 0.00 H new ATOM 0 HD21 ASN A 37 11.856 -2.930 -8.694 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.799 -3.963 -7.727 1.00 0.00 H new ATOM 583 N PRO A 38 8.994 0.073 -6.453 1.00 0.00 N ATOM 584 CA PRO A 38 8.779 1.084 -7.467 1.00 0.00 C ATOM 585 C PRO A 38 9.932 1.264 -8.441 1.00 0.00 C ATOM 586 O PRO A 38 9.688 1.163 -9.636 1.00 0.00 O ATOM 587 CB PRO A 38 8.634 2.375 -6.686 1.00 0.00 C ATOM 588 CG PRO A 38 8.333 1.982 -5.255 1.00 0.00 C ATOM 589 CD PRO A 38 9.084 0.667 -5.138 1.00 0.00 C ATOM 0 HA PRO A 38 7.921 0.797 -8.075 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.548 2.966 -6.742 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.832 2.988 -7.096 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.692 2.724 -4.542 1.00 0.00 H new ATOM 0 HG3 PRO A 38 7.264 1.861 -5.079 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.122 0.829 -4.847 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.637 0.022 -4.381 1.00 0.00 H new ATOM 597 N VAL A 39 11.165 1.525 -7.975 1.00 0.00 N ATOM 598 CA VAL A 39 12.297 1.753 -8.868 1.00 0.00 C ATOM 599 C VAL A 39 12.347 0.778 -10.025 1.00 0.00 C ATOM 600 O VAL A 39 12.752 1.114 -11.134 1.00 0.00 O ATOM 601 CB VAL A 39 13.629 1.764 -8.119 1.00 0.00 C ATOM 602 CG1 VAL A 39 13.625 1.541 -6.616 1.00 0.00 C ATOM 603 CG2 VAL A 39 14.733 0.952 -8.789 1.00 0.00 C ATOM 0 H VAL A 39 11.396 1.582 -6.983 1.00 0.00 H new ATOM 0 HA VAL A 39 12.135 2.745 -9.290 1.00 0.00 H new ATOM 0 HB VAL A 39 13.862 2.825 -8.211 1.00 0.00 H new ATOM 0 HG11 VAL A 39 14.647 1.579 -6.240 1.00 0.00 H new ATOM 0 HG12 VAL A 39 13.032 2.319 -6.134 1.00 0.00 H new ATOM 0 HG13 VAL A 39 13.193 0.565 -6.394 1.00 0.00 H new ATOM 0 HG21 VAL A 39 15.643 1.014 -8.192 1.00 0.00 H new ATOM 0 HG22 VAL A 39 14.421 -0.089 -8.869 1.00 0.00 H new ATOM 0 HG23 VAL A 39 14.925 1.351 -9.785 1.00 0.00 H new ATOM 613 N GLY A 40 11.920 -0.443 -9.739 1.00 0.00 N ATOM 614 CA GLY A 40 11.803 -1.484 -10.749 1.00 0.00 C ATOM 615 C GLY A 40 11.000 -0.950 -11.927 1.00 0.00 C ATOM 616 O GLY A 40 11.487 -0.924 -13.054 1.00 0.00 O ATOM 0 H GLY A 40 11.645 -0.740 -8.802 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.793 -1.799 -11.081 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.314 -2.362 -10.328 1.00 0.00 H new ATOM 620 N TYR A 41 9.770 -0.519 -11.658 1.00 0.00 N ATOM 621 CA TYR A 41 8.903 0.093 -12.635 1.00 0.00 C ATOM 622 C TYR A 41 9.483 1.425 -13.097 1.00 0.00 C ATOM 623 O TYR A 41 9.368 1.763 -14.268 1.00 0.00 O ATOM 624 CB TYR A 41 7.569 0.321 -11.931 1.00 0.00 C ATOM 625 CG TYR A 41 6.897 -0.972 -11.552 1.00 0.00 C ATOM 626 CD1 TYR A 41 6.242 -1.731 -12.531 1.00 0.00 C ATOM 627 CD2 TYR A 41 6.946 -1.416 -10.222 1.00 0.00 C ATOM 628 CE1 TYR A 41 5.638 -2.947 -12.188 1.00 0.00 C ATOM 629 CE2 TYR A 41 6.356 -2.640 -9.876 1.00 0.00 C ATOM 630 CZ TYR A 41 5.692 -3.406 -10.856 1.00 0.00 C ATOM 631 OH TYR A 41 5.106 -4.587 -10.519 1.00 0.00 O ATOM 0 H TYR A 41 9.349 -0.592 -10.732 1.00 0.00 H new ATOM 0 HA TYR A 41 8.790 -0.539 -13.516 1.00 0.00 H new ATOM 0 HB2 TYR A 41 7.731 0.920 -11.035 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.909 0.894 -12.583 1.00 0.00 H new ATOM 0 HD1 TYR A 41 6.203 -1.378 -13.551 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.436 -0.818 -9.468 1.00 0.00 H new ATOM 0 HE1 TYR A 41 5.132 -3.532 -12.942 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.410 -2.996 -8.858 1.00 0.00 H new ATOM 0 HH TYR A 41 5.490 -4.915 -9.679 1.00 0.00 H new ATOM 641 N SER A 42 10.106 2.180 -12.187 1.00 0.00 N ATOM 642 CA SER A 42 10.526 3.549 -12.459 1.00 0.00 C ATOM 643 C SER A 42 11.651 3.622 -13.484 1.00 0.00 C ATOM 644 O SER A 42 11.703 4.561 -14.277 1.00 0.00 O ATOM 645 CB SER A 42 10.974 4.228 -11.167 1.00 0.00 C ATOM 646 OG SER A 42 10.066 3.931 -10.138 1.00 0.00 O ATOM 0 H SER A 42 10.331 1.857 -11.246 1.00 0.00 H new ATOM 0 HA SER A 42 9.663 4.067 -12.877 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.973 3.888 -10.893 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.033 5.307 -11.313 1.00 0.00 H new ATOM 0 HG SER A 42 9.344 3.370 -10.491 1.00 0.00 H new ATOM 652 N ASN A 43 12.553 2.639 -13.477 1.00 0.00 N ATOM 653 CA ASN A 43 13.666 2.617 -14.407 1.00 0.00 C ATOM 654 C ASN A 43 13.168 2.195 -15.790 1.00 0.00 C ATOM 655 O ASN A 43 13.427 2.886 -16.774 1.00 0.00 O ATOM 656 CB ASN A 43 14.718 1.643 -13.887 1.00 0.00 C ATOM 657 CG ASN A 43 15.490 2.202 -12.709 1.00 0.00 C ATOM 658 OD1 ASN A 43 14.934 2.868 -11.845 1.00 0.00 O ATOM 659 ND2 ASN A 43 16.788 1.929 -12.670 1.00 0.00 N ATOM 0 H ASN A 43 12.528 1.849 -12.833 1.00 0.00 H new ATOM 0 HA ASN A 43 14.110 3.609 -14.493 1.00 0.00 H new ATOM 0 HB2 ASN A 43 14.233 0.712 -13.592 1.00 0.00 H new ATOM 0 HB3 ASN A 43 15.413 1.399 -14.691 1.00 0.00 H new ATOM 0 HD21 ASN A 43 17.360 2.278 -11.901 1.00 0.00 H new ATOM 0 HD22 ASN A 43 17.214 1.370 -13.409 1.00 0.00 H new ATOM 666 N LYS A 44 12.448 1.067 -15.867 1.00 0.00 N ATOM 667 CA LYS A 44 11.835 0.604 -17.108 1.00 0.00 C ATOM 668 C LYS A 44 10.869 1.672 -17.622 1.00 0.00 C ATOM 669 O LYS A 44 10.673 1.789 -18.825 1.00 0.00 O ATOM 670 CB LYS A 44 11.132 -0.727 -16.838 1.00 0.00 C ATOM 671 CG LYS A 44 10.392 -1.222 -18.086 1.00 0.00 C ATOM 672 CD LYS A 44 10.018 -2.699 -17.978 1.00 0.00 C ATOM 673 CE LYS A 44 9.128 -2.971 -16.767 1.00 0.00 C ATOM 674 NZ LYS A 44 8.659 -4.371 -16.755 1.00 0.00 N ATOM 0 H LYS A 44 12.278 0.455 -15.069 1.00 0.00 H new ATOM 0 HA LYS A 44 12.586 0.441 -17.881 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.864 -1.472 -16.526 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.426 -0.609 -16.016 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.489 -0.629 -18.232 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.019 -1.070 -18.964 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.502 -3.011 -18.886 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.925 -3.299 -17.905 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.681 -2.762 -15.851 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.271 -2.297 -16.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.057 -4.528 -15.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.112 -4.561 -17.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.478 -5.011 -16.716 1.00 0.00 H new ATOM 688 N ALA A 45 10.267 2.457 -16.716 1.00 0.00 N ATOM 689 CA ALA A 45 9.318 3.497 -17.090 1.00 0.00 C ATOM 690 C ALA A 45 10.025 4.682 -17.738 1.00 0.00 C ATOM 691 O ALA A 45 9.666 5.081 -18.843 1.00 0.00 O ATOM 692 CB ALA A 45 8.569 3.998 -15.853 1.00 0.00 C ATOM 0 H ALA A 45 10.428 2.384 -15.711 1.00 0.00 H new ATOM 0 HA ALA A 45 8.620 3.061 -17.804 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.863 4.775 -16.145 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.028 3.170 -15.395 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.282 4.406 -15.137 1.00 0.00 H new ATOM 698 N MET A 46 11.028 5.251 -17.064 1.00 0.00 N ATOM 699 CA MET A 46 11.729 6.413 -17.585 1.00 0.00 C ATOM 700 C MET A 46 12.355 6.099 -18.944 1.00 0.00 C ATOM 701 O MET A 46 12.518 6.985 -19.781 1.00 0.00 O ATOM 702 CB MET A 46 12.785 6.861 -16.574 1.00 0.00 C ATOM 703 CG MET A 46 13.492 8.153 -16.990 1.00 0.00 C ATOM 704 SD MET A 46 12.533 9.690 -16.836 1.00 0.00 S ATOM 705 CE MET A 46 11.573 9.692 -18.373 1.00 0.00 C ATOM 0 H MET A 46 11.367 4.923 -16.160 1.00 0.00 H new ATOM 0 HA MET A 46 11.021 7.228 -17.735 1.00 0.00 H new ATOM 0 HB2 MET A 46 12.313 7.007 -15.602 1.00 0.00 H new ATOM 0 HB3 MET A 46 13.525 6.070 -16.453 1.00 0.00 H new ATOM 0 HG2 MET A 46 14.397 8.254 -16.391 1.00 0.00 H new ATOM 0 HG3 MET A 46 13.807 8.050 -18.028 1.00 0.00 H new ATOM 0 HE1 MET A 46 11.378 10.720 -18.679 1.00 0.00 H new ATOM 0 HE2 MET A 46 12.136 9.182 -19.154 1.00 0.00 H new ATOM 0 HE3 MET A 46 10.627 9.175 -18.212 1.00 0.00 H new ATOM 715 N ALA A 47 12.704 4.832 -19.177 1.00 0.00 N ATOM 716 CA ALA A 47 13.231 4.400 -20.454 1.00 0.00 C ATOM 717 C ALA A 47 12.119 4.297 -21.499 1.00 0.00 C ATOM 718 O ALA A 47 12.342 4.652 -22.654 1.00 0.00 O ATOM 719 CB ALA A 47 13.895 3.043 -20.267 1.00 0.00 C ATOM 0 H ALA A 47 12.626 4.087 -18.484 1.00 0.00 H new ATOM 0 HA ALA A 47 13.956 5.131 -20.810 1.00 0.00 H new ATOM 0 HB1 ALA A 47 14.299 2.701 -21.220 1.00 0.00 H new ATOM 0 HB2 ALA A 47 14.703 3.130 -19.541 1.00 0.00 H new ATOM 0 HB3 ALA A 47 13.159 2.325 -19.906 1.00 0.00 H new ATOM 725 N LEU A 48 10.923 3.826 -21.123 1.00 0.00 N ATOM 726 CA LEU A 48 9.802 3.766 -22.047 1.00 0.00 C ATOM 727 C LEU A 48 9.466 5.156 -22.584 1.00 0.00 C ATOM 728 O LEU A 48 8.939 5.259 -23.684 1.00 0.00 O ATOM 729 CB LEU A 48 8.579 3.145 -21.368 1.00 0.00 C ATOM 730 CG LEU A 48 8.670 1.618 -21.252 1.00 0.00 C ATOM 731 CD1 LEU A 48 7.511 1.097 -20.404 1.00 0.00 C ATOM 732 CD2 LEU A 48 8.557 0.963 -22.624 1.00 0.00 C ATOM 0 H LEU A 48 10.715 3.483 -20.185 1.00 0.00 H new ATOM 0 HA LEU A 48 10.089 3.135 -22.888 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.466 3.574 -20.372 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.684 3.409 -21.932 1.00 0.00 H new ATOM 0 HG LEU A 48 9.631 1.376 -20.799 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.578 0.012 -20.323 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.561 1.539 -19.409 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.566 1.368 -20.874 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.624 -0.120 -22.517 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.599 1.224 -23.074 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.367 1.315 -23.263 1.00 0.00 H new ATOM 744 N ILE A 49 9.756 6.229 -21.841 1.00 0.00 N ATOM 745 CA ILE A 49 9.527 7.579 -22.339 1.00 0.00 C ATOM 746 C ILE A 49 10.542 7.903 -23.426 1.00 0.00 C ATOM 747 O ILE A 49 10.183 8.409 -24.483 1.00 0.00 O ATOM 748 CB ILE A 49 9.677 8.584 -21.183 1.00 0.00 C ATOM 749 CG1 ILE A 49 8.379 8.731 -20.392 1.00 0.00 C ATOM 750 CG2 ILE A 49 10.066 9.966 -21.710 1.00 0.00 C ATOM 751 CD1 ILE A 49 8.090 7.510 -19.535 1.00 0.00 C ATOM 0 H ILE A 49 10.147 6.185 -20.900 1.00 0.00 H new ATOM 0 HA ILE A 49 8.521 7.645 -22.753 1.00 0.00 H new ATOM 0 HB ILE A 49 10.458 8.193 -20.532 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.441 9.614 -19.755 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.551 8.893 -21.082 1.00 0.00 H new ATOM 0 HG21 ILE A 49 10.166 10.659 -20.875 1.00 0.00 H new ATOM 0 HG22 ILE A 49 11.015 9.899 -22.241 1.00 0.00 H new ATOM 0 HG23 ILE A 49 9.294 10.327 -22.390 1.00 0.00 H new ATOM 0 HD11 ILE A 49 7.158 7.660 -18.991 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.001 6.631 -20.173 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.904 7.362 -18.826 1.00 0.00 H new ATOM 763 N LYS A 50 11.816 7.611 -23.165 1.00 0.00 N ATOM 764 CA LYS A 50 12.872 7.798 -24.135 1.00 0.00 C ATOM 765 C LYS A 50 12.749 6.826 -25.315 1.00 0.00 C ATOM 766 O LYS A 50 13.481 6.958 -26.292 1.00 0.00 O ATOM 767 CB LYS A 50 14.199 7.648 -23.403 1.00 0.00 C ATOM 768 CG LYS A 50 14.918 8.991 -23.364 1.00 0.00 C ATOM 769 CD LYS A 50 14.145 10.022 -22.548 1.00 0.00 C ATOM 770 CE LYS A 50 14.211 9.695 -21.061 1.00 0.00 C ATOM 771 NZ LYS A 50 13.904 10.895 -20.257 1.00 0.00 N ATOM 0 H LYS A 50 12.136 7.238 -22.271 1.00 0.00 H new ATOM 0 HA LYS A 50 12.802 8.792 -24.576 1.00 0.00 H new ATOM 0 HB2 LYS A 50 14.027 7.287 -22.389 1.00 0.00 H new ATOM 0 HB3 LYS A 50 14.820 6.906 -23.905 1.00 0.00 H new ATOM 0 HG2 LYS A 50 15.912 8.859 -22.936 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.055 9.360 -24.380 1.00 0.00 H new ATOM 0 HD2 LYS A 50 14.557 11.016 -22.725 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.105 10.045 -22.874 1.00 0.00 H new ATOM 0 HE2 LYS A 50 13.503 8.900 -20.825 1.00 0.00 H new ATOM 0 HE3 LYS A 50 15.204 9.323 -20.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 13.953 10.657 -19.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 14.595 11.642 -20.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 12.948 11.232 -20.488 1.00 0.00 H new ATOM 785 N LEU A 51 11.826 5.860 -25.230 1.00 0.00 N ATOM 786 CA LEU A 51 11.485 4.958 -26.313 1.00 0.00 C ATOM 787 C LEU A 51 10.161 5.430 -26.924 1.00 0.00 C ATOM 788 O LEU A 51 9.755 4.963 -27.986 1.00 0.00 O ATOM 789 CB LEU A 51 11.336 3.545 -25.745 1.00 0.00 C ATOM 790 CG LEU A 51 12.671 2.927 -25.311 1.00 0.00 C ATOM 791 CD1 LEU A 51 12.409 1.646 -24.523 1.00 0.00 C ATOM 792 CD2 LEU A 51 13.540 2.574 -26.518 1.00 0.00 C ATOM 0 H LEU A 51 11.288 5.688 -24.381 1.00 0.00 H new ATOM 0 HA LEU A 51 12.259 4.951 -27.080 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.660 3.573 -24.890 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.873 2.905 -26.496 1.00 0.00 H new ATOM 0 HG LEU A 51 13.193 3.662 -24.698 1.00 0.00 H new ATOM 0 HD11 LEU A 51 13.358 1.208 -24.215 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.813 1.877 -23.640 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.869 0.937 -25.150 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.479 2.138 -26.176 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.014 1.855 -27.147 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.747 3.476 -27.093 1.00 0.00 H new ATOM 804 N GLY A 52 9.498 6.363 -26.237 1.00 0.00 N ATOM 805 CA GLY A 52 8.225 6.944 -26.622 1.00 0.00 C ATOM 806 C GLY A 52 7.094 5.930 -26.523 1.00 0.00 C ATOM 807 O GLY A 52 6.038 6.082 -27.133 1.00 0.00 O ATOM 0 H GLY A 52 9.855 6.745 -25.361 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.006 7.798 -25.982 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.290 7.319 -27.643 1.00 0.00 H new ATOM 811 N GLU A 53 7.333 4.883 -25.736 1.00 0.00 N ATOM 812 CA GLU A 53 6.395 3.820 -25.443 1.00 0.00 C ATOM 813 C GLU A 53 5.663 4.175 -24.170 1.00 0.00 C ATOM 814 O GLU A 53 5.533 3.399 -23.224 1.00 0.00 O ATOM 815 CB GLU A 53 7.150 2.497 -25.366 1.00 0.00 C ATOM 816 CG GLU A 53 7.734 2.125 -26.730 1.00 0.00 C ATOM 817 CD GLU A 53 6.688 1.497 -27.655 1.00 0.00 C ATOM 818 OE1 GLU A 53 5.602 2.104 -27.815 1.00 0.00 O ATOM 819 OE2 GLU A 53 6.984 0.411 -28.198 1.00 0.00 O ATOM 0 H GLU A 53 8.230 4.754 -25.267 1.00 0.00 H new ATOM 0 HA GLU A 53 5.647 3.704 -26.228 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.951 2.572 -24.631 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.478 1.709 -25.026 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.146 3.017 -27.202 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.560 1.427 -26.592 1.00 0.00 H new ATOM 826 N TYR A 54 5.185 5.409 -24.197 1.00 0.00 N ATOM 827 CA TYR A 54 4.429 6.031 -23.152 1.00 0.00 C ATOM 828 C TYR A 54 3.249 5.183 -22.695 1.00 0.00 C ATOM 829 O TYR A 54 2.894 5.232 -21.524 1.00 0.00 O ATOM 830 CB TYR A 54 3.894 7.306 -23.756 1.00 0.00 C ATOM 831 CG TYR A 54 4.928 8.238 -24.354 1.00 0.00 C ATOM 832 CD1 TYR A 54 6.003 8.684 -23.580 1.00 0.00 C ATOM 833 CD2 TYR A 54 4.814 8.645 -25.692 1.00 0.00 C ATOM 834 CE1 TYR A 54 6.956 9.547 -24.137 1.00 0.00 C ATOM 835 CE2 TYR A 54 5.780 9.482 -26.267 1.00 0.00 C ATOM 836 CZ TYR A 54 6.850 9.952 -25.480 1.00 0.00 C ATOM 837 OH TYR A 54 7.783 10.788 -26.018 1.00 0.00 O ATOM 0 H TYR A 54 5.328 6.026 -24.997 1.00 0.00 H new ATOM 0 HA TYR A 54 5.062 6.185 -22.278 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.176 7.044 -24.533 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.346 7.849 -22.986 1.00 0.00 H new ATOM 0 HD1 TYR A 54 6.099 8.364 -22.553 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.975 8.310 -26.284 1.00 0.00 H new ATOM 0 HE1 TYR A 54 7.777 9.903 -23.532 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.705 9.765 -27.307 1.00 0.00 H new ATOM 0 HH TYR A 54 7.560 10.967 -26.956 1.00 0.00 H new ATOM 847 N THR A 55 2.628 4.404 -23.590 1.00 0.00 N ATOM 848 CA THR A 55 1.399 3.689 -23.251 1.00 0.00 C ATOM 849 C THR A 55 1.638 2.778 -22.067 1.00 0.00 C ATOM 850 O THR A 55 0.729 2.479 -21.301 1.00 0.00 O ATOM 851 CB THR A 55 0.956 2.802 -24.417 1.00 0.00 C ATOM 852 OG1 THR A 55 1.234 3.413 -25.657 1.00 0.00 O ATOM 853 CG2 THR A 55 -0.524 2.531 -24.285 1.00 0.00 C ATOM 0 H THR A 55 2.955 4.256 -24.545 1.00 0.00 H new ATOM 0 HA THR A 55 0.636 4.434 -23.024 1.00 0.00 H new ATOM 0 HB THR A 55 1.511 1.864 -24.383 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.943 2.824 -26.384 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.853 1.899 -25.110 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.718 2.024 -23.340 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.070 3.474 -24.309 1.00 0.00 H new ATOM 861 N GLN A 56 2.888 2.347 -21.951 1.00 0.00 N ATOM 862 CA GLN A 56 3.340 1.310 -21.060 1.00 0.00 C ATOM 863 C GLN A 56 4.058 1.954 -19.893 1.00 0.00 C ATOM 864 O GLN A 56 4.008 1.471 -18.766 1.00 0.00 O ATOM 865 CB GLN A 56 4.265 0.450 -21.913 1.00 0.00 C ATOM 866 CG GLN A 56 3.459 0.076 -23.153 1.00 0.00 C ATOM 867 CD GLN A 56 4.044 0.607 -24.443 1.00 0.00 C ATOM 868 OE1 GLN A 56 3.677 1.840 -24.747 1.00 0.00 O flip ATOM 869 NE2 GLN A 56 4.800 -0.070 -25.135 1.00 0.00 N flip ATOM 0 H GLN A 56 3.646 2.739 -22.510 1.00 0.00 H new ATOM 0 HA GLN A 56 2.540 0.704 -20.635 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.168 0.997 -22.184 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.583 -0.440 -21.370 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.389 -1.010 -23.216 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.443 0.455 -23.043 1.00 0.00 H new ATOM 0 HE21 GLN A 56 5.046 -1.017 -24.846 1.00 0.00 H new ATOM 0 HE22 GLN A 56 5.182 0.315 -25.999 1.00 0.00 H new ATOM 878 N ALA A 57 4.729 3.061 -20.192 1.00 0.00 N ATOM 879 CA ALA A 57 5.310 3.924 -19.187 1.00 0.00 C ATOM 880 C ALA A 57 4.250 4.365 -18.186 1.00 0.00 C ATOM 881 O ALA A 57 4.498 4.387 -16.984 1.00 0.00 O ATOM 882 CB ALA A 57 5.866 5.147 -19.903 1.00 0.00 C ATOM 0 H ALA A 57 4.883 3.381 -21.148 1.00 0.00 H new ATOM 0 HA ALA A 57 6.093 3.394 -18.644 1.00 0.00 H new ATOM 0 HB1 ALA A 57 6.314 5.823 -19.174 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.624 4.835 -20.622 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.059 5.660 -20.426 1.00 0.00 H new ATOM 888 N ILE A 58 3.064 4.710 -18.692 1.00 0.00 N ATOM 889 CA ILE A 58 1.933 5.094 -17.864 1.00 0.00 C ATOM 890 C ILE A 58 1.570 3.928 -16.958 1.00 0.00 C ATOM 891 O ILE A 58 1.223 4.139 -15.798 1.00 0.00 O ATOM 892 CB ILE A 58 0.755 5.454 -18.773 1.00 0.00 C ATOM 893 CG1 ILE A 58 1.108 6.653 -19.648 1.00 0.00 C ATOM 894 CG2 ILE A 58 -0.504 5.829 -17.991 1.00 0.00 C ATOM 895 CD1 ILE A 58 0.276 6.609 -20.928 1.00 0.00 C ATOM 0 H ILE A 58 2.867 4.729 -19.693 1.00 0.00 H new ATOM 0 HA ILE A 58 2.183 5.958 -17.248 1.00 0.00 H new ATOM 0 HB ILE A 58 0.556 4.563 -19.368 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.916 7.580 -19.108 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.170 6.640 -19.891 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.305 6.074 -18.688 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.809 4.988 -17.368 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.296 6.692 -17.359 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.527 7.465 -21.555 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.490 5.688 -21.470 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.784 6.643 -20.675 1.00 0.00 H new ATOM 907 N GLN A 59 1.654 2.699 -17.477 1.00 0.00 N ATOM 908 CA GLN A 59 1.322 1.541 -16.672 1.00 0.00 C ATOM 909 C GLN A 59 2.347 1.308 -15.569 1.00 0.00 C ATOM 910 O GLN A 59 1.993 0.892 -14.470 1.00 0.00 O ATOM 911 CB GLN A 59 1.255 0.311 -17.563 1.00 0.00 C ATOM 912 CG GLN A 59 0.373 0.483 -18.787 1.00 0.00 C ATOM 913 CD GLN A 59 -0.893 1.256 -18.485 1.00 0.00 C ATOM 914 OE1 GLN A 59 -1.643 0.934 -17.568 1.00 0.00 O ATOM 915 NE2 GLN A 59 -1.129 2.291 -19.277 1.00 0.00 N ATOM 0 H GLN A 59 1.944 2.492 -18.433 1.00 0.00 H new ATOM 0 HA GLN A 59 0.356 1.724 -16.202 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.263 0.055 -17.888 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.885 -0.530 -16.977 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.934 1.000 -19.565 1.00 0.00 H new ATOM 0 HG3 GLN A 59 0.110 -0.498 -19.182 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.476 2.519 -20.026 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -1.964 2.860 -19.138 1.00 0.00 H new ATOM 924 N MET A 60 3.623 1.578 -15.857 1.00 0.00 N ATOM 925 CA MET A 60 4.701 1.387 -14.894 1.00 0.00 C ATOM 926 C MET A 60 4.612 2.389 -13.749 1.00 0.00 C ATOM 927 O MET A 60 4.784 2.020 -12.589 1.00 0.00 O ATOM 928 CB MET A 60 6.060 1.579 -15.565 1.00 0.00 C ATOM 929 CG MET A 60 6.391 0.611 -16.698 1.00 0.00 C ATOM 930 SD MET A 60 6.175 -1.149 -16.340 1.00 0.00 S ATOM 931 CE MET A 60 4.502 -1.366 -16.993 1.00 0.00 C ATOM 0 H MET A 60 3.933 1.933 -16.761 1.00 0.00 H new ATOM 0 HA MET A 60 4.599 0.373 -14.507 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.109 2.595 -15.956 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.834 1.493 -14.803 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.769 0.864 -17.556 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.427 0.775 -16.996 1.00 0.00 H new ATOM 0 HE1 MET A 60 4.317 -2.425 -17.174 1.00 0.00 H new ATOM 0 HE2 MET A 60 3.778 -0.989 -16.271 1.00 0.00 H new ATOM 0 HE3 MET A 60 4.402 -0.815 -17.928 1.00 0.00 H new ATOM 941 N CYS A 61 4.339 3.660 -14.056 1.00 0.00 N ATOM 942 CA CYS A 61 4.365 4.694 -13.037 1.00 0.00 C ATOM 943 C CYS A 61 3.238 4.466 -12.025 1.00 0.00 C ATOM 944 O CYS A 61 3.457 4.448 -10.821 1.00 0.00 O ATOM 945 CB CYS A 61 4.230 6.055 -13.715 1.00 0.00 C ATOM 946 SG CYS A 61 5.651 6.315 -14.806 1.00 0.00 S ATOM 0 H CYS A 61 4.101 3.988 -14.992 1.00 0.00 H new ATOM 0 HA CYS A 61 5.309 4.660 -12.493 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.303 6.100 -14.287 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.181 6.845 -12.966 1.00 0.00 H new ATOM 0 HG CYS A 61 5.500 5.613 -15.890 1.00 0.00 H new ATOM 952 N GLN A 62 2.010 4.283 -12.511 1.00 0.00 N ATOM 953 CA GLN A 62 0.895 3.967 -11.627 1.00 0.00 C ATOM 954 C GLN A 62 1.089 2.657 -10.848 1.00 0.00 C ATOM 955 O GLN A 62 0.509 2.497 -9.779 1.00 0.00 O ATOM 956 CB GLN A 62 -0.420 3.994 -12.400 1.00 0.00 C ATOM 957 CG GLN A 62 -0.460 3.017 -13.576 1.00 0.00 C ATOM 958 CD GLN A 62 -1.375 1.838 -13.274 1.00 0.00 C ATOM 959 OE1 GLN A 62 -0.839 0.821 -12.612 1.00 0.00 O flip ATOM 960 NE2 GLN A 62 -2.550 1.848 -13.630 1.00 0.00 N flip ATOM 0 H GLN A 62 1.767 4.348 -13.499 1.00 0.00 H new ATOM 0 HA GLN A 62 0.858 4.745 -10.864 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.238 3.762 -11.718 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.592 5.004 -12.772 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.809 3.533 -14.471 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.546 2.656 -13.788 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.922 2.651 -14.137 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -3.154 1.054 -13.418 1.00 0.00 H new ATOM 969 N GLN A 63 1.891 1.716 -11.357 1.00 0.00 N ATOM 970 CA GLN A 63 2.297 0.525 -10.614 1.00 0.00 C ATOM 971 C GLN A 63 3.257 0.889 -9.488 1.00 0.00 C ATOM 972 O GLN A 63 3.074 0.431 -8.367 1.00 0.00 O ATOM 973 CB GLN A 63 3.025 -0.419 -11.573 1.00 0.00 C ATOM 974 CG GLN A 63 2.375 -1.795 -11.681 1.00 0.00 C ATOM 975 CD GLN A 63 0.946 -1.736 -12.203 1.00 0.00 C ATOM 976 OE1 GLN A 63 -0.004 -1.688 -11.428 1.00 0.00 O ATOM 977 NE2 GLN A 63 0.774 -1.736 -13.521 1.00 0.00 N ATOM 0 H GLN A 63 2.277 1.762 -12.300 1.00 0.00 H new ATOM 0 HA GLN A 63 1.409 0.057 -10.189 1.00 0.00 H new ATOM 0 HB2 GLN A 63 3.060 0.037 -12.563 1.00 0.00 H new ATOM 0 HB3 GLN A 63 4.056 -0.538 -11.241 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.972 -2.423 -12.342 1.00 0.00 H new ATOM 0 HG3 GLN A 63 2.379 -2.271 -10.700 1.00 0.00 H new ATOM 0 HE21 GLN A 63 1.583 -1.777 -14.141 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.167 -1.695 -13.913 1.00 0.00 H new ATOM 986 N GLY A 64 4.281 1.702 -9.757 1.00 0.00 N ATOM 987 CA GLY A 64 5.208 2.120 -8.721 1.00 0.00 C ATOM 988 C GLY A 64 4.478 2.605 -7.465 1.00 0.00 C ATOM 989 O GLY A 64 4.920 2.332 -6.352 1.00 0.00 O ATOM 0 H GLY A 64 4.483 2.079 -10.683 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.863 1.288 -8.462 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.844 2.919 -9.103 1.00 0.00 H new ATOM 993 N LEU A 65 3.359 3.322 -7.644 1.00 0.00 N ATOM 994 CA LEU A 65 2.552 3.880 -6.562 1.00 0.00 C ATOM 995 C LEU A 65 1.941 2.822 -5.642 1.00 0.00 C ATOM 996 O LEU A 65 1.358 3.172 -4.616 1.00 0.00 O ATOM 997 CB LEU A 65 1.398 4.682 -7.170 1.00 0.00 C ATOM 998 CG LEU A 65 1.831 6.014 -7.776 1.00 0.00 C ATOM 999 CD1 LEU A 65 0.652 6.592 -8.549 1.00 0.00 C ATOM 1000 CD2 LEU A 65 2.228 6.997 -6.672 1.00 0.00 C ATOM 0 H LEU A 65 2.986 3.532 -8.570 1.00 0.00 H new ATOM 0 HA LEU A 65 3.223 4.495 -5.963 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.916 4.081 -7.941 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.651 4.869 -6.399 1.00 0.00 H new ATOM 0 HG LEU A 65 2.687 5.854 -8.431 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.939 7.546 -8.991 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.360 5.899 -9.338 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.188 6.745 -7.871 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.534 7.942 -7.120 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.377 7.167 -6.013 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.056 6.583 -6.096 1.00 0.00 H new ATOM 1012 N ARG A 66 2.053 1.536 -5.981 1.00 0.00 N ATOM 1013 CA ARG A 66 1.415 0.457 -5.252 1.00 0.00 C ATOM 1014 C ARG A 66 2.294 0.054 -4.086 1.00 0.00 C ATOM 1015 O ARG A 66 1.860 -0.615 -3.150 1.00 0.00 O ATOM 1016 CB ARG A 66 1.329 -0.710 -6.228 1.00 0.00 C ATOM 1017 CG ARG A 66 0.388 -0.349 -7.362 1.00 0.00 C ATOM 1018 CD ARG A 66 0.330 -1.517 -8.333 1.00 0.00 C ATOM 1019 NE ARG A 66 -0.282 -2.701 -7.717 1.00 0.00 N ATOM 1020 CZ ARG A 66 -0.940 -3.657 -8.383 1.00 0.00 C ATOM 1021 NH1 ARG A 66 -1.089 -3.591 -9.703 1.00 0.00 N ATOM 1022 NH2 ARG A 66 -1.452 -4.689 -7.724 1.00 0.00 N ATOM 0 H ARG A 66 2.599 1.219 -6.782 1.00 0.00 H new ATOM 0 HA ARG A 66 0.436 0.749 -4.873 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.318 -0.943 -6.622 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.972 -1.603 -5.714 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.607 -0.130 -6.973 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.736 0.550 -7.871 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.241 -1.229 -9.216 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.337 -1.761 -8.670 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.199 -2.802 -6.705 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.699 -2.804 -10.222 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.593 -4.327 -10.197 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.344 -4.752 -6.712 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.954 -5.419 -8.230 1.00 0.00 H new ATOM 1036 N TYR A 67 3.548 0.489 -4.178 1.00 0.00 N ATOM 1037 CA TYR A 67 4.608 0.104 -3.278 1.00 0.00 C ATOM 1038 C TYR A 67 5.223 1.273 -2.508 1.00 0.00 C ATOM 1039 O TYR A 67 6.018 1.052 -1.600 1.00 0.00 O ATOM 1040 CB TYR A 67 5.650 -0.559 -4.168 1.00 0.00 C ATOM 1041 CG TYR A 67 5.029 -1.473 -5.191 1.00 0.00 C ATOM 1042 CD1 TYR A 67 4.426 -2.671 -4.786 1.00 0.00 C ATOM 1043 CD2 TYR A 67 5.039 -1.100 -6.542 1.00 0.00 C ATOM 1044 CE1 TYR A 67 3.847 -3.526 -5.734 1.00 0.00 C ATOM 1045 CE2 TYR A 67 4.417 -1.928 -7.486 1.00 0.00 C ATOM 1046 CZ TYR A 67 3.829 -3.149 -7.092 1.00 0.00 C ATOM 1047 OH TYR A 67 3.237 -3.960 -8.016 1.00 0.00 O ATOM 0 H TYR A 67 3.853 1.137 -4.904 1.00 0.00 H new ATOM 0 HA TYR A 67 4.220 -0.554 -2.500 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.232 0.209 -4.676 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.344 -1.128 -3.549 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.407 -2.937 -3.739 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.521 -0.184 -6.852 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.417 -4.468 -5.426 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.387 -1.629 -8.523 1.00 0.00 H new ATOM 0 HH TYR A 67 3.857 -4.116 -8.759 1.00 0.00 H new ATOM 1057 N THR A 68 4.866 2.515 -2.855 1.00 0.00 N ATOM 1058 CA THR A 68 5.427 3.705 -2.220 1.00 0.00 C ATOM 1059 C THR A 68 4.832 3.959 -0.835 1.00 0.00 C ATOM 1060 O THR A 68 4.908 5.076 -0.324 1.00 0.00 O ATOM 1061 CB THR A 68 5.248 4.925 -3.128 1.00 0.00 C ATOM 1062 OG1 THR A 68 3.895 5.064 -3.498 1.00 0.00 O ATOM 1063 CG2 THR A 68 6.096 4.762 -4.388 1.00 0.00 C ATOM 0 H THR A 68 4.181 2.719 -3.583 1.00 0.00 H new ATOM 0 HA THR A 68 6.493 3.528 -2.074 1.00 0.00 H new ATOM 0 HB THR A 68 5.566 5.813 -2.582 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.793 5.848 -4.077 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.965 5.633 -5.030 1.00 0.00 H new ATOM 0 HG22 THR A 68 7.146 4.671 -4.111 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.783 3.866 -4.924 1.00 0.00 H new ATOM 1071 N SER A 69 4.238 2.930 -0.226 1.00 0.00 N ATOM 1072 CA SER A 69 3.637 2.984 1.101 1.00 0.00 C ATOM 1073 C SER A 69 4.658 3.215 2.220 1.00 0.00 C ATOM 1074 O SER A 69 4.296 3.193 3.396 1.00 0.00 O ATOM 1075 CB SER A 69 2.915 1.669 1.360 1.00 0.00 C ATOM 1076 OG SER A 69 1.840 1.519 0.456 1.00 0.00 O ATOM 0 H SER A 69 4.162 2.010 -0.659 1.00 0.00 H new ATOM 0 HA SER A 69 2.953 3.833 1.112 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.610 0.836 1.252 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.545 1.644 2.385 1.00 0.00 H new ATOM 0 HG SER A 69 1.383 0.670 0.629 1.00 0.00 H new ATOM 1082 N THR A 70 5.923 3.439 1.867 1.00 0.00 N ATOM 1083 CA THR A 70 7.008 3.620 2.824 1.00 0.00 C ATOM 1084 C THR A 70 7.944 4.745 2.379 1.00 0.00 C ATOM 1085 O THR A 70 8.021 5.074 1.195 1.00 0.00 O ATOM 1086 CB THR A 70 7.762 2.295 2.992 1.00 0.00 C ATOM 1087 OG1 THR A 70 8.881 2.478 3.832 1.00 0.00 O ATOM 1088 CG2 THR A 70 8.229 1.756 1.640 1.00 0.00 C ATOM 0 H THR A 70 6.225 3.500 0.895 1.00 0.00 H new ATOM 0 HA THR A 70 6.594 3.911 3.789 1.00 0.00 H new ATOM 0 HB THR A 70 7.079 1.574 3.441 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.355 1.627 3.935 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.761 0.816 1.787 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.365 1.587 0.997 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.895 2.480 1.170 1.00 0.00 H new ATOM 1096 N ALA A 71 8.661 5.343 3.339 1.00 0.00 N ATOM 1097 CA ALA A 71 9.487 6.519 3.094 1.00 0.00 C ATOM 1098 C ALA A 71 10.785 6.209 2.341 1.00 0.00 C ATOM 1099 O ALA A 71 11.480 7.140 1.935 1.00 0.00 O ATOM 1100 CB ALA A 71 9.788 7.205 4.424 1.00 0.00 C ATOM 0 H ALA A 71 8.681 5.020 4.306 1.00 0.00 H new ATOM 0 HA ALA A 71 8.919 7.184 2.443 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.406 8.086 4.248 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.854 7.506 4.898 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.320 6.514 5.078 1.00 0.00 H new ATOM 1106 N GLU A 72 11.141 4.936 2.137 1.00 0.00 N ATOM 1107 CA GLU A 72 12.266 4.604 1.273 1.00 0.00 C ATOM 1108 C GLU A 72 11.863 4.765 -0.187 1.00 0.00 C ATOM 1109 O GLU A 72 12.718 4.751 -1.070 1.00 0.00 O ATOM 1110 CB GLU A 72 12.719 3.164 1.515 1.00 0.00 C ATOM 1111 CG GLU A 72 11.583 2.164 1.345 1.00 0.00 C ATOM 1112 CD GLU A 72 12.025 0.751 1.716 1.00 0.00 C ATOM 1113 OE1 GLU A 72 12.585 0.068 0.826 1.00 0.00 O ATOM 1114 OE2 GLU A 72 11.804 0.362 2.885 1.00 0.00 O ATOM 0 H GLU A 72 10.671 4.133 2.554 1.00 0.00 H new ATOM 0 HA GLU A 72 13.089 5.280 1.503 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.524 2.917 0.822 1.00 0.00 H new ATOM 0 HB3 GLU A 72 13.128 3.078 2.522 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.740 2.459 1.970 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.235 2.179 0.312 1.00 0.00 H new ATOM 1121 N HIS A 73 10.560 4.916 -0.432 1.00 0.00 N ATOM 1122 CA HIS A 73 9.999 4.948 -1.766 1.00 0.00 C ATOM 1123 C HIS A 73 9.272 6.259 -2.046 1.00 0.00 C ATOM 1124 O HIS A 73 8.752 6.446 -3.145 1.00 0.00 O ATOM 1125 CB HIS A 73 9.045 3.770 -1.929 1.00 0.00 C ATOM 1126 CG HIS A 73 9.710 2.420 -1.995 1.00 0.00 C ATOM 1127 ND1 HIS A 73 9.039 1.196 -1.962 1.00 0.00 N ATOM 1128 CD2 HIS A 73 11.052 2.191 -2.102 1.00 0.00 C ATOM 1129 CE1 HIS A 73 9.995 0.259 -2.060 1.00 0.00 C ATOM 1130 NE2 HIS A 73 11.212 0.825 -2.147 1.00 0.00 N ATOM 0 H HIS A 73 9.864 5.020 0.306 1.00 0.00 H new ATOM 0 HA HIS A 73 10.814 4.874 -2.486 1.00 0.00 H new ATOM 0 HB2 HIS A 73 8.342 3.772 -1.096 1.00 0.00 H new ATOM 0 HB3 HIS A 73 8.462 3.917 -2.838 1.00 0.00 H new ATOM 0 HD1 HIS A 73 8.033 1.046 -1.881 1.00 0.00 H new ATOM 0 HD2 HIS A 73 11.834 2.935 -2.143 1.00 0.00 H new ATOM 0 HE1 HIS A 73 9.812 -0.805 -2.068 1.00 0.00 H new ATOM 1138 N VAL A 74 9.226 7.174 -1.074 1.00 0.00 N ATOM 1139 CA VAL A 74 8.588 8.464 -1.277 1.00 0.00 C ATOM 1140 C VAL A 74 9.274 9.231 -2.403 1.00 0.00 C ATOM 1141 O VAL A 74 8.634 9.971 -3.144 1.00 0.00 O ATOM 1142 CB VAL A 74 8.624 9.262 0.025 1.00 0.00 C ATOM 1143 CG1 VAL A 74 10.042 9.665 0.425 1.00 0.00 C ATOM 1144 CG2 VAL A 74 7.832 10.543 -0.167 1.00 0.00 C ATOM 0 H VAL A 74 9.623 7.040 -0.144 1.00 0.00 H new ATOM 0 HA VAL A 74 7.549 8.307 -1.566 1.00 0.00 H new ATOM 0 HB VAL A 74 8.207 8.625 0.805 1.00 0.00 H new ATOM 0 HG11 VAL A 74 10.011 10.230 1.357 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.649 8.770 0.563 1.00 0.00 H new ATOM 0 HG13 VAL A 74 10.480 10.283 -0.359 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.849 11.123 0.756 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.276 11.128 -0.972 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.801 10.298 -0.423 1.00 0.00 H new ATOM 1154 N ALA A 75 10.590 9.043 -2.525 1.00 0.00 N ATOM 1155 CA ALA A 75 11.378 9.644 -3.584 1.00 0.00 C ATOM 1156 C ALA A 75 10.844 9.218 -4.940 1.00 0.00 C ATOM 1157 O ALA A 75 10.831 10.005 -5.881 1.00 0.00 O ATOM 1158 CB ALA A 75 12.820 9.178 -3.436 1.00 0.00 C ATOM 0 H ALA A 75 11.134 8.465 -1.885 1.00 0.00 H new ATOM 0 HA ALA A 75 11.322 10.730 -3.513 1.00 0.00 H new ATOM 0 HB1 ALA A 75 13.428 9.621 -4.225 1.00 0.00 H new ATOM 0 HB2 ALA A 75 13.205 9.488 -2.464 1.00 0.00 H new ATOM 0 HB3 ALA A 75 12.861 8.091 -3.513 1.00 0.00 H new ATOM 1164 N ILE A 76 10.392 7.967 -5.042 1.00 0.00 N ATOM 1165 CA ILE A 76 9.865 7.447 -6.282 1.00 0.00 C ATOM 1166 C ILE A 76 8.411 7.832 -6.483 1.00 0.00 C ATOM 1167 O ILE A 76 7.963 7.972 -7.618 1.00 0.00 O ATOM 1168 CB ILE A 76 9.996 5.938 -6.280 1.00 0.00 C ATOM 1169 CG1 ILE A 76 11.478 5.627 -6.089 1.00 0.00 C ATOM 1170 CG2 ILE A 76 9.416 5.467 -7.609 1.00 0.00 C ATOM 1171 CD1 ILE A 76 11.961 4.631 -7.101 1.00 0.00 C ATOM 0 H ILE A 76 10.385 7.300 -4.270 1.00 0.00 H new ATOM 0 HA ILE A 76 10.437 7.879 -7.103 1.00 0.00 H new ATOM 0 HB ILE A 76 9.459 5.423 -5.483 1.00 0.00 H new ATOM 0 HG12 ILE A 76 12.058 6.546 -6.174 1.00 0.00 H new ATOM 0 HG13 ILE A 76 11.643 5.237 -5.085 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.481 4.381 -7.670 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.372 5.772 -7.679 1.00 0.00 H new ATOM 0 HG23 ILE A 76 9.980 5.911 -8.430 1.00 0.00 H new ATOM 0 HD11 ILE A 76 13.020 4.431 -6.938 1.00 0.00 H new ATOM 0 HD12 ILE A 76 11.397 3.704 -6.998 1.00 0.00 H new ATOM 0 HD13 ILE A 76 11.818 5.033 -8.104 1.00 0.00 H new ATOM 1183 N ARG A 77 7.658 8.007 -5.398 1.00 0.00 N ATOM 1184 CA ARG A 77 6.289 8.486 -5.513 1.00 0.00 C ATOM 1185 C ARG A 77 6.306 9.828 -6.230 1.00 0.00 C ATOM 1186 O ARG A 77 5.332 10.223 -6.864 1.00 0.00 O ATOM 1187 CB ARG A 77 5.647 8.579 -4.127 1.00 0.00 C ATOM 1188 CG ARG A 77 4.243 9.173 -4.237 1.00 0.00 C ATOM 1189 CD ARG A 77 4.272 10.656 -3.868 1.00 0.00 C ATOM 1190 NE ARG A 77 2.935 11.251 -3.967 1.00 0.00 N ATOM 1191 CZ ARG A 77 2.666 12.534 -3.712 1.00 0.00 C ATOM 1192 NH1 ARG A 77 3.636 13.369 -3.338 1.00 0.00 N ATOM 1193 NH2 ARG A 77 1.425 12.988 -3.831 1.00 0.00 N ATOM 0 H ARG A 77 7.970 7.826 -4.444 1.00 0.00 H new ATOM 0 HA ARG A 77 5.685 7.790 -6.095 1.00 0.00 H new ATOM 0 HB2 ARG A 77 5.597 7.589 -3.674 1.00 0.00 H new ATOM 0 HB3 ARG A 77 6.262 9.198 -3.474 1.00 0.00 H new ATOM 0 HG2 ARG A 77 3.866 9.050 -5.252 1.00 0.00 H new ATOM 0 HG3 ARG A 77 3.560 8.639 -3.576 1.00 0.00 H new ATOM 0 HD2 ARG A 77 4.652 10.774 -2.853 1.00 0.00 H new ATOM 0 HD3 ARG A 77 4.959 11.185 -4.529 1.00 0.00 H new ATOM 0 HE ARG A 77 2.163 10.647 -4.248 1.00 0.00 H new ATOM 0 HH11 ARG A 77 4.593 13.029 -3.245 1.00 0.00 H new ATOM 0 HH12 ARG A 77 3.421 14.347 -3.145 1.00 0.00 H new ATOM 0 HH21 ARG A 77 0.676 12.357 -4.117 1.00 0.00 H new ATOM 0 HH22 ARG A 77 1.220 13.968 -3.636 1.00 0.00 H new ATOM 1207 N SER A 78 7.435 10.521 -6.126 1.00 0.00 N ATOM 1208 CA SER A 78 7.656 11.761 -6.834 1.00 0.00 C ATOM 1209 C SER A 78 8.070 11.471 -8.271 1.00 0.00 C ATOM 1210 O SER A 78 7.799 12.291 -9.151 1.00 0.00 O ATOM 1211 CB SER A 78 8.774 12.527 -6.123 1.00 0.00 C ATOM 1212 OG SER A 78 8.894 13.828 -6.659 1.00 0.00 O ATOM 0 H SER A 78 8.221 10.231 -5.544 1.00 0.00 H new ATOM 0 HA SER A 78 6.740 12.352 -6.846 1.00 0.00 H new ATOM 0 HB2 SER A 78 8.563 12.584 -5.055 1.00 0.00 H new ATOM 0 HB3 SER A 78 9.718 11.992 -6.233 1.00 0.00 H new ATOM 0 HG SER A 78 9.611 14.308 -6.195 1.00 0.00 H new ATOM 1218 N LYS A 79 8.717 10.328 -8.544 1.00 0.00 N ATOM 1219 CA LYS A 79 9.195 10.081 -9.891 1.00 0.00 C ATOM 1220 C LYS A 79 8.112 9.496 -10.776 1.00 0.00 C ATOM 1221 O LYS A 79 8.038 9.864 -11.941 1.00 0.00 O ATOM 1222 CB LYS A 79 10.409 9.158 -9.846 1.00 0.00 C ATOM 1223 CG LYS A 79 11.582 9.894 -9.203 1.00 0.00 C ATOM 1224 CD LYS A 79 12.814 9.004 -9.190 1.00 0.00 C ATOM 1225 CE LYS A 79 13.993 9.866 -8.769 1.00 0.00 C ATOM 1226 NZ LYS A 79 15.228 9.069 -8.665 1.00 0.00 N ATOM 0 H LYS A 79 8.911 9.589 -7.868 1.00 0.00 H new ATOM 0 HA LYS A 79 9.484 11.037 -10.327 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.174 8.258 -9.278 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.674 8.838 -10.854 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.792 10.811 -9.754 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.324 10.186 -8.185 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.680 8.173 -8.498 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.986 8.573 -10.176 1.00 0.00 H new ATOM 0 HE2 LYS A 79 14.136 10.669 -9.492 1.00 0.00 H new ATOM 0 HE3 LYS A 79 13.779 10.336 -7.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 15.957 9.622 -8.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.035 8.197 -8.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.565 8.825 -9.618 1.00 0.00 H new ATOM 1240 N LEU A 80 7.271 8.602 -10.255 1.00 0.00 N ATOM 1241 CA LEU A 80 6.247 7.965 -11.069 1.00 0.00 C ATOM 1242 C LEU A 80 5.397 9.046 -11.728 1.00 0.00 C ATOM 1243 O LEU A 80 5.097 8.980 -12.913 1.00 0.00 O ATOM 1244 CB LEU A 80 5.390 7.064 -10.170 1.00 0.00 C ATOM 1245 CG LEU A 80 6.034 5.721 -9.792 1.00 0.00 C ATOM 1246 CD1 LEU A 80 7.472 5.534 -10.245 1.00 0.00 C ATOM 1247 CD2 LEU A 80 5.883 5.507 -8.287 1.00 0.00 C ATOM 0 H LEU A 80 7.282 8.307 -9.279 1.00 0.00 H new ATOM 0 HA LEU A 80 6.698 7.353 -11.850 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.155 7.607 -9.255 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.444 6.867 -10.675 1.00 0.00 H new ATOM 0 HG LEU A 80 5.495 4.953 -10.347 1.00 0.00 H new ATOM 0 HD11 LEU A 80 7.829 4.554 -9.927 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.523 5.604 -11.332 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.097 6.309 -9.802 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.337 4.556 -8.007 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.379 6.317 -7.753 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.825 5.495 -8.026 1.00 0.00 H new ATOM 1259 N GLN A 81 5.021 10.042 -10.936 1.00 0.00 N ATOM 1260 CA GLN A 81 4.093 11.104 -11.254 1.00 0.00 C ATOM 1261 C GLN A 81 4.604 11.997 -12.376 1.00 0.00 C ATOM 1262 O GLN A 81 3.808 12.597 -13.093 1.00 0.00 O ATOM 1263 CB GLN A 81 3.963 11.890 -9.949 1.00 0.00 C ATOM 1264 CG GLN A 81 2.689 11.545 -9.195 1.00 0.00 C ATOM 1265 CD GLN A 81 2.443 10.054 -9.153 1.00 0.00 C ATOM 1266 OE1 GLN A 81 1.412 9.590 -9.625 1.00 0.00 O ATOM 1267 NE2 GLN A 81 3.380 9.298 -8.593 1.00 0.00 N ATOM 0 H GLN A 81 5.387 10.129 -9.988 1.00 0.00 H new ATOM 0 HA GLN A 81 3.141 10.713 -11.613 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.825 11.684 -9.315 1.00 0.00 H new ATOM 0 HB3 GLN A 81 3.976 12.958 -10.167 1.00 0.00 H new ATOM 0 HG2 GLN A 81 2.754 11.931 -8.178 1.00 0.00 H new ATOM 0 HG3 GLN A 81 1.841 12.039 -9.670 1.00 0.00 H new ATOM 0 HE21 GLN A 81 4.223 9.729 -8.213 1.00 0.00 H new ATOM 0 HE22 GLN A 81 3.257 8.287 -8.543 1.00 0.00 H new ATOM 1276 N TYR A 82 5.924 12.090 -12.534 1.00 0.00 N ATOM 1277 CA TYR A 82 6.495 12.949 -13.555 1.00 0.00 C ATOM 1278 C TYR A 82 6.425 12.338 -14.948 1.00 0.00 C ATOM 1279 O TYR A 82 6.165 13.043 -15.918 1.00 0.00 O ATOM 1280 CB TYR A 82 7.947 13.233 -13.219 1.00 0.00 C ATOM 1281 CG TYR A 82 8.811 13.530 -14.429 1.00 0.00 C ATOM 1282 CD1 TYR A 82 8.933 14.835 -14.917 1.00 0.00 C ATOM 1283 CD2 TYR A 82 9.505 12.480 -15.054 1.00 0.00 C ATOM 1284 CE1 TYR A 82 9.810 15.103 -15.981 1.00 0.00 C ATOM 1285 CE2 TYR A 82 10.438 12.744 -16.067 1.00 0.00 C ATOM 1286 CZ TYR A 82 10.578 14.065 -16.545 1.00 0.00 C ATOM 1287 OH TYR A 82 11.459 14.337 -17.552 1.00 0.00 O ATOM 0 H TYR A 82 6.607 11.584 -11.971 1.00 0.00 H new ATOM 0 HA TYR A 82 5.906 13.866 -13.567 1.00 0.00 H new ATOM 0 HB2 TYR A 82 7.992 14.081 -12.536 1.00 0.00 H new ATOM 0 HB3 TYR A 82 8.362 12.375 -12.690 1.00 0.00 H new ATOM 0 HD1 TYR A 82 8.355 15.634 -14.477 1.00 0.00 H new ATOM 0 HD2 TYR A 82 9.318 11.460 -14.751 1.00 0.00 H new ATOM 0 HE1 TYR A 82 9.896 16.108 -16.368 1.00 0.00 H new ATOM 0 HE2 TYR A 82 11.042 11.947 -16.476 1.00 0.00 H new ATOM 0 HH TYR A 82 11.908 13.510 -17.826 1.00 0.00 H new ATOM 1297 N ARG A 83 6.655 11.027 -15.082 1.00 0.00 N ATOM 1298 CA ARG A 83 6.561 10.433 -16.405 1.00 0.00 C ATOM 1299 C ARG A 83 5.109 10.078 -16.658 1.00 0.00 C ATOM 1300 O ARG A 83 4.674 9.944 -17.799 1.00 0.00 O ATOM 1301 CB ARG A 83 7.418 9.189 -16.584 1.00 0.00 C ATOM 1302 CG ARG A 83 8.841 9.185 -16.038 1.00 0.00 C ATOM 1303 CD ARG A 83 8.860 8.902 -14.535 1.00 0.00 C ATOM 1304 NE ARG A 83 10.222 8.531 -14.112 1.00 0.00 N ATOM 1305 CZ ARG A 83 10.515 7.677 -13.128 1.00 0.00 C ATOM 1306 NH1 ARG A 83 9.544 7.060 -12.457 1.00 0.00 N ATOM 1307 NH2 ARG A 83 11.783 7.438 -12.808 1.00 0.00 N ATOM 0 H ARG A 83 6.896 10.388 -14.324 1.00 0.00 H new ATOM 0 HA ARG A 83 6.937 11.166 -17.118 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.887 8.355 -16.124 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.475 8.980 -17.652 1.00 0.00 H new ATOM 0 HG2 ARG A 83 9.431 8.431 -16.559 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.311 10.149 -16.235 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.526 9.783 -13.986 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.164 8.097 -14.299 1.00 0.00 H new ATOM 0 HE ARG A 83 11.002 8.960 -14.610 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.568 7.238 -12.693 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.776 6.409 -11.707 1.00 0.00 H new ATOM 0 HH21 ARG A 83 12.534 7.907 -13.314 1.00 0.00 H new ATOM 0 HH22 ARG A 83 12.005 6.785 -12.056 1.00 0.00 H new ATOM 1321 N LEU A 84 4.365 9.925 -15.568 1.00 0.00 N ATOM 1322 CA LEU A 84 2.942 9.649 -15.589 1.00 0.00 C ATOM 1323 C LEU A 84 2.175 10.910 -15.959 1.00 0.00 C ATOM 1324 O LEU A 84 0.961 10.885 -16.122 1.00 0.00 O ATOM 1325 CB LEU A 84 2.563 9.152 -14.203 1.00 0.00 C ATOM 1326 CG LEU A 84 1.097 8.767 -14.034 1.00 0.00 C ATOM 1327 CD1 LEU A 84 0.703 7.690 -15.043 1.00 0.00 C ATOM 1328 CD2 LEU A 84 0.931 8.271 -12.607 1.00 0.00 C ATOM 0 H LEU A 84 4.748 9.992 -14.625 1.00 0.00 H new ATOM 0 HA LEU A 84 2.693 8.894 -16.334 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.180 8.286 -13.963 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.805 9.928 -13.477 1.00 0.00 H new ATOM 0 HG LEU A 84 0.445 9.621 -14.218 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.346 7.429 -14.906 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.854 8.066 -16.055 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.320 6.805 -14.890 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.107 7.983 -12.440 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.577 7.409 -12.444 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.204 9.065 -11.912 1.00 0.00 H new ATOM 1340 N GLU A 85 2.887 12.027 -16.092 1.00 0.00 N ATOM 1341 CA GLU A 85 2.294 13.282 -16.526 1.00 0.00 C ATOM 1342 C GLU A 85 2.859 13.745 -17.862 1.00 0.00 C ATOM 1343 O GLU A 85 2.431 14.768 -18.392 1.00 0.00 O ATOM 1344 CB GLU A 85 2.426 14.338 -15.436 1.00 0.00 C ATOM 1345 CG GLU A 85 3.749 15.089 -15.459 1.00 0.00 C ATOM 1346 CD GLU A 85 3.719 16.272 -14.499 1.00 0.00 C ATOM 1347 OE1 GLU A 85 3.151 17.320 -14.884 1.00 0.00 O ATOM 1348 OE2 GLU A 85 4.261 16.129 -13.379 1.00 0.00 O ATOM 0 H GLU A 85 3.887 12.084 -15.902 1.00 0.00 H new ATOM 0 HA GLU A 85 1.230 13.117 -16.694 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.611 15.055 -15.538 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.309 13.859 -14.464 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.560 14.414 -15.185 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.955 15.441 -16.470 1.00 0.00 H new ATOM 1355 N LEU A 86 3.819 12.989 -18.405 1.00 0.00 N ATOM 1356 CA LEU A 86 4.408 13.320 -19.693 1.00 0.00 C ATOM 1357 C LEU A 86 4.078 12.270 -20.756 1.00 0.00 C ATOM 1358 O LEU A 86 3.786 12.625 -21.894 1.00 0.00 O ATOM 1359 CB LEU A 86 5.919 13.533 -19.510 1.00 0.00 C ATOM 1360 CG LEU A 86 6.759 12.254 -19.601 1.00 0.00 C ATOM 1361 CD1 LEU A 86 7.142 12.001 -21.058 1.00 0.00 C ATOM 1362 CD2 LEU A 86 8.042 12.365 -18.770 1.00 0.00 C ATOM 0 H LEU A 86 4.199 12.148 -17.970 1.00 0.00 H new ATOM 0 HA LEU A 86 3.974 14.248 -20.064 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.268 14.236 -20.267 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.092 13.998 -18.539 1.00 0.00 H new ATOM 0 HG LEU A 86 6.160 11.432 -19.210 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.739 11.092 -21.125 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.239 11.886 -21.657 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.722 12.844 -21.434 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.613 11.441 -18.857 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.642 13.198 -19.136 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.785 12.535 -17.725 1.00 0.00 H new ATOM 1374 N ALA A 87 4.123 10.986 -20.391 1.00 0.00 N ATOM 1375 CA ALA A 87 3.880 9.871 -21.269 1.00 0.00 C ATOM 1376 C ALA A 87 2.458 9.928 -21.815 1.00 0.00 C ATOM 1377 O ALA A 87 2.268 9.984 -23.023 1.00 0.00 O ATOM 1378 CB ALA A 87 4.090 8.594 -20.444 1.00 0.00 C ATOM 0 H ALA A 87 4.339 10.699 -19.436 1.00 0.00 H new ATOM 0 HA ALA A 87 4.558 9.893 -22.122 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.915 7.721 -21.073 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.112 8.569 -20.065 1.00 0.00 H new ATOM 0 HB3 ALA A 87 3.392 8.583 -19.607 1.00 0.00 H new ATOM 1384 N GLN A 88 1.454 9.916 -20.933 1.00 0.00 N ATOM 1385 CA GLN A 88 0.043 9.975 -21.308 1.00 0.00 C ATOM 1386 C GLN A 88 -0.323 11.257 -22.048 1.00 0.00 C ATOM 1387 O GLN A 88 -1.379 11.339 -22.670 1.00 0.00 O ATOM 1388 CB GLN A 88 -0.830 9.821 -20.075 1.00 0.00 C ATOM 1389 CG GLN A 88 -0.354 10.725 -18.952 1.00 0.00 C ATOM 1390 CD GLN A 88 -1.352 10.694 -17.800 1.00 0.00 C ATOM 1391 OE1 GLN A 88 -2.088 11.649 -17.573 1.00 0.00 O ATOM 1392 NE2 GLN A 88 -1.381 9.584 -17.066 1.00 0.00 N ATOM 0 H GLN A 88 1.603 9.864 -19.925 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.135 9.149 -21.997 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.864 10.060 -20.325 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.815 8.783 -19.742 1.00 0.00 H new ATOM 0 HG2 GLN A 88 0.627 10.401 -18.604 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.240 11.745 -19.318 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.753 8.811 -17.286 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -2.031 9.507 -16.284 1.00 0.00 H new ATOM 1401 N GLY A 89 0.555 12.254 -21.972 1.00 0.00 N ATOM 1402 CA GLY A 89 0.391 13.511 -22.682 1.00 0.00 C ATOM 1403 C GLY A 89 1.201 13.495 -23.977 1.00 0.00 C ATOM 1404 O GLY A 89 1.368 14.528 -24.620 1.00 0.00 O ATOM 0 H GLY A 89 1.405 12.208 -21.411 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.663 13.676 -22.906 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.716 14.338 -22.051 1.00 0.00 H new ATOM 1408 N ALA A 90 1.707 12.315 -24.351 1.00 0.00 N ATOM 1409 CA ALA A 90 2.557 12.133 -25.510 1.00 0.00 C ATOM 1410 C ALA A 90 2.284 10.831 -26.261 1.00 0.00 C ATOM 1411 O ALA A 90 2.649 10.722 -27.429 1.00 0.00 O ATOM 1412 CB ALA A 90 3.987 12.051 -25.012 1.00 0.00 C ATOM 0 H ALA A 90 1.528 11.450 -23.841 1.00 0.00 H new ATOM 0 HA ALA A 90 2.368 12.965 -26.188 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.660 11.913 -25.859 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.244 12.973 -24.490 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.087 11.208 -24.329 1.00 0.00 H new ATOM 1833 N VAL B 708 17.252 7.829 -13.202 1.00 0.00 N ATOM 1834 CA VAL B 708 16.711 6.527 -12.821 1.00 0.00 C ATOM 1835 C VAL B 708 16.270 6.441 -11.353 1.00 0.00 C ATOM 1836 O VAL B 708 16.222 7.457 -10.660 1.00 0.00 O ATOM 1837 CB VAL B 708 17.615 5.372 -13.282 1.00 0.00 C ATOM 1838 CG1 VAL B 708 18.325 5.708 -14.582 1.00 0.00 C ATOM 1839 CG2 VAL B 708 18.672 4.930 -12.274 1.00 0.00 C ATOM 0 HA VAL B 708 15.777 6.410 -13.371 1.00 0.00 H new ATOM 0 HB VAL B 708 16.920 4.542 -13.409 1.00 0.00 H new ATOM 0 HG11 VAL B 708 18.956 4.870 -14.879 1.00 0.00 H new ATOM 0 HG12 VAL B 708 17.587 5.901 -15.360 1.00 0.00 H new ATOM 0 HG13 VAL B 708 18.943 6.595 -14.440 1.00 0.00 H new ATOM 0 HG21 VAL B 708 19.256 4.112 -12.695 1.00 0.00 H new ATOM 0 HG22 VAL B 708 19.332 5.768 -12.048 1.00 0.00 H new ATOM 0 HG23 VAL B 708 18.184 4.595 -11.359 1.00 0.00 H new ATOM 1849 N ASP B 709 15.946 5.225 -10.895 1.00 0.00 N ATOM 1850 CA ASP B 709 15.339 4.925 -9.601 1.00 0.00 C ATOM 1851 C ASP B 709 14.276 5.955 -9.218 1.00 0.00 C ATOM 1852 O ASP B 709 14.385 6.526 -8.109 1.00 0.00 O ATOM 1853 CB ASP B 709 16.381 4.677 -8.499 1.00 0.00 C ATOM 1854 CG ASP B 709 17.490 5.730 -8.409 1.00 0.00 C ATOM 1855 OD1 ASP B 709 17.234 6.815 -7.837 1.00 0.00 O ATOM 1856 OD2 ASP B 709 18.596 5.435 -8.919 1.00 0.00 O ATOM 1857 OXT ASP B 709 13.360 6.157 -10.047 1.00 0.00 O ATOM 0 H ASP B 709 16.110 4.384 -11.449 1.00 0.00 H new ATOM 0 HA ASP B 709 14.813 3.977 -9.709 1.00 0.00 H new ATOM 0 HB2 ASP B 709 15.868 4.628 -7.539 1.00 0.00 H new ATOM 0 HB3 ASP B 709 16.839 3.702 -8.665 1.00 0.00 H new