USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 766 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 LYS NZ :NH3+ 177:sc= 2.58 (180deg=2.39) USER MOD Set 1.2: A 88 THR OG1 : rot -108:sc= 1.2 USER MOD Set 2.1: A 80 GLN : amide:sc= 0.998 K(o=2.2,f=0.63) USER MOD Set 2.2: A 84 THR OG1 : rot 80:sc= 1.22 USER MOD Set 3.1: A 78 HIS : no HD1:sc= -0.907 K(o=-0.6,f=-1.7) USER MOD Set 3.2: B 208 THR OG1 : rot 9:sc= 0.303 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00712) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 49:sc= 1.19 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.34 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 119:sc= 1.26 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= 0.79 K(o=0.79,f=-3.9!) USER MOD Single : A 43 TYR OH : rot -24:sc= 0.777 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -35:sc= 0.0223 USER MOD Single : A 60 HIS : no HD1:sc= 0.825 K(o=0.83,f=-3.6!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc=-0.00453 K(o=-0.0045,f=-0.74) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.368 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -0.224 K(o=-0.22,f=-2.2!) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 HIS : no HD1:sc= -0.518 X(o=-0.52,f=-0.29) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.0969 K(o=-0.097,f=-0.87) USER MOD Single : B 205 TYR OH : rot 180:sc= 0 USER MOD Single : B 209 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 8 -15.031 -13.331 -0.815 1.00 0.00 N ATOM 2 CA MET A 8 -13.613 -13.148 -0.836 1.00 0.00 C ATOM 3 C MET A 8 -12.979 -14.304 -1.529 1.00 0.00 C ATOM 4 O MET A 8 -13.342 -15.456 -1.295 1.00 0.00 O ATOM 5 CB MET A 8 -12.992 -13.019 0.565 1.00 0.00 C ATOM 6 CG MET A 8 -13.526 -11.872 1.426 1.00 0.00 C ATOM 7 SD MET A 8 -15.081 -12.228 2.297 1.00 0.00 S ATOM 8 CE MET A 8 -15.051 -10.683 3.254 1.00 0.00 C ATOM 0 HA MET A 8 -13.428 -12.211 -1.362 1.00 0.00 H new ATOM 0 HB2 MET A 8 -13.151 -13.955 1.100 1.00 0.00 H new ATOM 0 HB3 MET A 8 -11.915 -12.895 0.454 1.00 0.00 H new ATOM 0 HG2 MET A 8 -12.767 -11.606 2.162 1.00 0.00 H new ATOM 0 HG3 MET A 8 -13.674 -10.999 0.791 1.00 0.00 H new ATOM 0 HE1 MET A 8 -15.928 -10.638 3.900 1.00 0.00 H new ATOM 0 HE2 MET A 8 -14.148 -10.650 3.864 1.00 0.00 H new ATOM 0 HE3 MET A 8 -15.059 -9.833 2.572 1.00 0.00 H new ATOM 18 N LYS A 9 -11.989 -14.047 -2.403 1.00 0.00 N ATOM 19 CA LYS A 9 -11.209 -15.063 -3.039 1.00 0.00 C ATOM 20 C LYS A 9 -9.795 -14.593 -2.990 1.00 0.00 C ATOM 21 O LYS A 9 -9.586 -13.396 -2.795 1.00 0.00 O ATOM 22 CB LYS A 9 -11.626 -15.261 -4.506 1.00 0.00 C ATOM 23 CG LYS A 9 -12.960 -15.992 -4.671 1.00 0.00 C ATOM 24 CD LYS A 9 -12.846 -17.503 -4.460 1.00 0.00 C ATOM 25 CE LYS A 9 -13.996 -18.145 -3.681 1.00 0.00 C ATOM 26 NZ LYS A 9 -15.309 -17.817 -4.278 1.00 0.00 N ATOM 0 H LYS A 9 -11.723 -13.101 -2.676 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.349 -16.018 -2.532 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -11.693 -14.287 -4.990 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.848 -15.822 -5.024 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -13.681 -15.585 -3.961 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -13.352 -15.799 -5.670 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -12.777 -17.985 -5.435 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.914 -17.710 -3.935 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -13.864 -19.227 -3.663 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.971 -17.803 -2.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -16.062 -18.296 -3.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -15.460 -16.789 -4.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -15.330 -18.135 -5.268 1.00 0.00 H new ATOM 40 N PRO A 10 -8.795 -15.405 -3.160 1.00 0.00 N ATOM 41 CA PRO A 10 -7.454 -14.928 -3.341 1.00 0.00 C ATOM 42 C PRO A 10 -7.284 -14.263 -4.663 1.00 0.00 C ATOM 43 O PRO A 10 -7.972 -14.604 -5.623 1.00 0.00 O ATOM 44 CB PRO A 10 -6.587 -16.181 -3.231 1.00 0.00 C ATOM 45 CG PRO A 10 -7.510 -17.313 -3.708 1.00 0.00 C ATOM 46 CD PRO A 10 -8.873 -16.858 -3.164 1.00 0.00 C ATOM 0 HA PRO A 10 -7.183 -14.172 -2.603 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -5.695 -16.105 -3.852 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.250 -16.345 -2.207 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.514 -17.407 -4.794 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -7.212 -18.281 -3.305 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.690 -17.210 -3.794 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -9.052 -17.249 -2.162 1.00 0.00 H new ATOM 54 N GLY A 11 -6.386 -13.266 -4.760 1.00 0.00 N ATOM 55 CA GLY A 11 -6.013 -12.682 -6.010 1.00 0.00 C ATOM 56 C GLY A 11 -6.798 -11.474 -6.396 1.00 0.00 C ATOM 57 O GLY A 11 -6.687 -10.975 -7.515 1.00 0.00 O ATOM 0 H GLY A 11 -5.910 -12.858 -3.955 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.957 -12.414 -5.969 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.121 -13.433 -6.792 1.00 0.00 H new ATOM 61 N ASP A 12 -7.627 -10.935 -5.485 1.00 0.00 N ATOM 62 CA ASP A 12 -8.330 -9.707 -5.695 1.00 0.00 C ATOM 63 C ASP A 12 -7.482 -8.551 -5.288 1.00 0.00 C ATOM 64 O ASP A 12 -7.275 -8.287 -4.104 1.00 0.00 O ATOM 65 CB ASP A 12 -9.686 -9.747 -4.971 1.00 0.00 C ATOM 66 CG ASP A 12 -10.832 -10.194 -5.867 1.00 0.00 C ATOM 67 OD1 ASP A 12 -10.632 -10.483 -7.077 1.00 0.00 O ATOM 68 OD2 ASP A 12 -11.988 -10.191 -5.368 1.00 0.00 O ATOM 0 H ASP A 12 -7.814 -11.364 -4.579 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.543 -9.577 -6.756 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -9.615 -10.422 -4.118 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.908 -8.756 -4.575 1.00 0.00 H new ATOM 73 N THR A 13 -6.932 -7.828 -6.279 1.00 0.00 N ATOM 74 CA THR A 13 -6.121 -6.663 -6.107 1.00 0.00 C ATOM 75 C THR A 13 -6.897 -5.396 -6.230 1.00 0.00 C ATOM 76 O THR A 13 -7.855 -5.278 -6.992 1.00 0.00 O ATOM 77 CB THR A 13 -4.949 -6.557 -7.038 1.00 0.00 C ATOM 78 OG1 THR A 13 -5.292 -6.893 -8.374 1.00 0.00 O ATOM 79 CG2 THR A 13 -3.846 -7.533 -6.597 1.00 0.00 C ATOM 0 H THR A 13 -7.062 -8.072 -7.261 1.00 0.00 H new ATOM 0 HA THR A 13 -5.743 -6.793 -5.093 1.00 0.00 H new ATOM 0 HB THR A 13 -4.613 -5.521 -7.001 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.501 -6.809 -8.946 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.997 -7.453 -7.276 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.526 -7.287 -5.585 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.232 -8.552 -6.618 1.00 0.00 H new ATOM 87 N PHE A 14 -6.485 -4.367 -5.469 1.00 0.00 N ATOM 88 CA PHE A 14 -7.067 -3.061 -5.476 1.00 0.00 C ATOM 89 C PHE A 14 -5.979 -2.042 -5.494 1.00 0.00 C ATOM 90 O PHE A 14 -5.185 -1.941 -4.560 1.00 0.00 O ATOM 91 CB PHE A 14 -8.090 -2.731 -4.376 1.00 0.00 C ATOM 92 CG PHE A 14 -7.879 -3.249 -2.995 1.00 0.00 C ATOM 93 CD1 PHE A 14 -7.721 -4.589 -2.728 1.00 0.00 C ATOM 94 CD2 PHE A 14 -7.978 -2.389 -1.927 1.00 0.00 C ATOM 95 CE1 PHE A 14 -7.535 -5.049 -1.446 1.00 0.00 C ATOM 96 CE2 PHE A 14 -7.769 -2.827 -0.640 1.00 0.00 C ATOM 97 CZ PHE A 14 -7.531 -4.159 -0.397 1.00 0.00 C ATOM 0 H PHE A 14 -5.706 -4.450 -4.816 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.671 -3.041 -6.383 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.159 -1.645 -4.310 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.061 -3.092 -4.715 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.744 -5.296 -3.544 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.224 -1.352 -2.101 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.393 -6.104 -1.263 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.792 -2.124 0.180 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.342 -4.504 0.609 1.00 0.00 H new ATOM 107 N GLU A 15 -5.894 -1.236 -6.568 1.00 0.00 N ATOM 108 CA GLU A 15 -4.988 -0.133 -6.663 1.00 0.00 C ATOM 109 C GLU A 15 -5.588 1.146 -6.188 1.00 0.00 C ATOM 110 O GLU A 15 -6.083 1.980 -6.942 1.00 0.00 O ATOM 111 CB GLU A 15 -4.396 -0.040 -8.080 1.00 0.00 C ATOM 112 CG GLU A 15 -2.883 0.169 -7.999 1.00 0.00 C ATOM 113 CD GLU A 15 -2.166 0.037 -9.336 1.00 0.00 C ATOM 114 OE1 GLU A 15 -2.842 -0.169 -10.380 1.00 0.00 O ATOM 115 OE2 GLU A 15 -0.909 0.111 -9.346 1.00 0.00 O ATOM 0 H GLU A 15 -6.475 -1.356 -7.398 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.159 -0.321 -5.981 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.617 -0.951 -8.636 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.857 0.785 -8.623 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.685 1.159 -7.589 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.464 -0.555 -7.301 1.00 0.00 H new ATOM 122 N VAL A 16 -5.573 1.320 -4.853 1.00 0.00 N ATOM 123 CA VAL A 16 -6.134 2.418 -4.129 1.00 0.00 C ATOM 124 C VAL A 16 -5.313 3.655 -4.256 1.00 0.00 C ATOM 125 O VAL A 16 -4.185 3.709 -3.770 1.00 0.00 O ATOM 126 CB VAL A 16 -6.195 2.070 -2.671 1.00 0.00 C ATOM 127 CG1 VAL A 16 -6.947 3.160 -1.890 1.00 0.00 C ATOM 128 CG2 VAL A 16 -6.913 0.722 -2.484 1.00 0.00 C ATOM 0 H VAL A 16 -5.134 0.639 -4.234 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.124 2.604 -4.546 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.176 1.998 -2.290 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.982 2.892 -0.834 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.430 4.113 -2.006 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.963 3.249 -2.276 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.954 0.476 -1.423 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.926 0.792 -2.879 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.368 -0.057 -3.017 1.00 0.00 H new ATOM 138 N GLU A 17 -5.820 4.729 -4.888 1.00 0.00 N ATOM 139 CA GLU A 17 -5.036 5.898 -5.146 1.00 0.00 C ATOM 140 C GLU A 17 -5.387 6.989 -4.195 1.00 0.00 C ATOM 141 O GLU A 17 -6.499 7.513 -4.143 1.00 0.00 O ATOM 142 CB GLU A 17 -5.030 6.270 -6.639 1.00 0.00 C ATOM 143 CG GLU A 17 -6.064 7.311 -7.071 1.00 0.00 C ATOM 144 CD GLU A 17 -6.372 7.323 -8.561 1.00 0.00 C ATOM 145 OE1 GLU A 17 -6.832 6.288 -9.115 1.00 0.00 O ATOM 146 OE2 GLU A 17 -6.229 8.411 -9.180 1.00 0.00 O ATOM 0 H GLU A 17 -6.782 4.788 -5.223 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.986 5.686 -4.942 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.038 6.642 -6.897 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.191 5.362 -7.221 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.990 7.132 -6.524 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.708 8.299 -6.780 1.00 0.00 H new ATOM 153 N LEU A 18 -4.424 7.331 -3.322 1.00 0.00 N ATOM 154 CA LEU A 18 -4.654 8.183 -2.197 1.00 0.00 C ATOM 155 C LEU A 18 -3.723 9.346 -2.231 1.00 0.00 C ATOM 156 O LEU A 18 -2.667 9.297 -2.860 1.00 0.00 O ATOM 157 CB LEU A 18 -4.327 7.438 -0.891 1.00 0.00 C ATOM 158 CG LEU A 18 -5.094 6.117 -0.709 1.00 0.00 C ATOM 159 CD1 LEU A 18 -4.490 5.379 0.498 1.00 0.00 C ATOM 160 CD2 LEU A 18 -6.614 6.328 -0.619 1.00 0.00 C ATOM 0 H LEU A 18 -3.460 7.007 -3.400 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.697 8.496 -2.238 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.257 7.231 -0.862 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.548 8.092 -0.048 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.975 5.488 -1.592 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.017 4.437 0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.435 5.179 0.311 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.590 5.998 1.390 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.108 5.365 -0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.843 6.969 0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.971 6.800 -1.535 1.00 0.00 H new ATOM 172 N ALA A 19 -4.057 10.412 -1.483 1.00 0.00 N ATOM 173 CA ALA A 19 -3.134 11.450 -1.144 1.00 0.00 C ATOM 174 C ALA A 19 -2.934 11.424 0.332 1.00 0.00 C ATOM 175 O ALA A 19 -3.865 11.630 1.109 1.00 0.00 O ATOM 176 CB ALA A 19 -3.635 12.818 -1.638 1.00 0.00 C ATOM 0 H ALA A 19 -4.993 10.556 -1.104 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.177 11.283 -1.639 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.914 13.589 -1.367 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.750 12.794 -2.722 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.597 13.042 -1.176 1.00 0.00 H new ATOM 182 N LYS A 20 -1.697 11.151 0.786 1.00 0.00 N ATOM 183 CA LYS A 20 -1.271 11.175 2.151 1.00 0.00 C ATOM 184 C LYS A 20 -1.646 12.408 2.899 1.00 0.00 C ATOM 185 O LYS A 20 -1.430 13.534 2.455 1.00 0.00 O ATOM 186 CB LYS A 20 0.242 10.936 2.280 1.00 0.00 C ATOM 187 CG LYS A 20 1.029 11.363 1.039 1.00 0.00 C ATOM 188 CD LYS A 20 2.457 11.861 1.266 1.00 0.00 C ATOM 189 CE LYS A 20 3.449 10.837 1.821 1.00 0.00 C ATOM 190 NZ LYS A 20 4.805 11.427 1.781 1.00 0.00 N ATOM 0 H LYS A 20 -0.941 10.895 0.151 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.817 10.353 2.614 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.617 11.482 3.145 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.421 9.878 2.469 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.069 10.516 0.354 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.470 12.152 0.537 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.844 12.234 0.318 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.420 12.708 1.951 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.183 10.568 2.843 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.417 9.921 1.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.485 10.763 2.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.072 11.617 0.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.812 12.317 2.319 1.00 0.00 H new ATOM 204 N THR A 21 -2.233 12.228 4.097 1.00 0.00 N ATOM 205 CA THR A 21 -2.727 13.264 4.950 1.00 0.00 C ATOM 206 C THR A 21 -1.679 13.561 5.966 1.00 0.00 C ATOM 207 O THR A 21 -1.365 12.746 6.833 1.00 0.00 O ATOM 208 CB THR A 21 -4.073 12.940 5.530 1.00 0.00 C ATOM 209 OG1 THR A 21 -4.544 13.890 6.474 1.00 0.00 O ATOM 210 CG2 THR A 21 -4.174 11.551 6.182 1.00 0.00 C ATOM 0 H THR A 21 -2.371 11.299 4.494 1.00 0.00 H new ATOM 0 HA THR A 21 -2.913 14.170 4.373 1.00 0.00 H new ATOM 0 HB THR A 21 -4.704 12.963 4.642 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.424 13.613 6.806 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.181 11.405 6.573 1.00 0.00 H new ATOM 0 HG22 THR A 21 -3.959 10.784 5.439 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.454 11.479 6.997 1.00 0.00 H new ATOM 218 N ASP A 22 -1.048 14.744 5.860 1.00 0.00 N ATOM 219 CA ASP A 22 0.094 15.184 6.599 1.00 0.00 C ATOM 220 C ASP A 22 1.291 14.303 6.505 1.00 0.00 C ATOM 221 O ASP A 22 2.131 14.261 7.403 1.00 0.00 O ATOM 222 CB ASP A 22 -0.220 15.483 8.074 1.00 0.00 C ATOM 223 CG ASP A 22 -1.424 16.402 8.228 1.00 0.00 C ATOM 224 OD1 ASP A 22 -1.414 17.534 7.676 1.00 0.00 O ATOM 225 OD2 ASP A 22 -2.379 16.009 8.950 1.00 0.00 O ATOM 0 H ASP A 22 -1.366 15.453 5.199 1.00 0.00 H new ATOM 0 HA ASP A 22 0.357 16.115 6.098 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.409 14.548 8.601 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.649 15.943 8.543 1.00 0.00 H new ATOM 230 N GLY A 23 1.442 13.545 5.403 1.00 0.00 N ATOM 231 CA GLY A 23 2.501 12.596 5.256 1.00 0.00 C ATOM 232 C GLY A 23 2.257 11.347 6.031 1.00 0.00 C ATOM 233 O GLY A 23 2.971 11.045 6.986 1.00 0.00 O ATOM 0 H GLY A 23 0.816 13.593 4.599 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.619 12.348 4.201 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.437 13.047 5.585 1.00 0.00 H new ATOM 237 N SER A 24 1.205 10.601 5.652 1.00 0.00 N ATOM 238 CA SER A 24 0.676 9.469 6.346 1.00 0.00 C ATOM 239 C SER A 24 -0.547 9.116 5.570 1.00 0.00 C ATOM 240 O SER A 24 -1.485 9.897 5.420 1.00 0.00 O ATOM 241 CB SER A 24 0.219 9.695 7.797 1.00 0.00 C ATOM 242 OG SER A 24 1.320 9.792 8.686 1.00 0.00 O ATOM 0 H SER A 24 0.687 10.805 4.797 1.00 0.00 H new ATOM 0 HA SER A 24 1.469 8.724 6.412 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.375 10.607 7.853 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.427 8.874 8.107 1.00 0.00 H new ATOM 0 HG SER A 24 1.976 10.425 8.327 1.00 0.00 H new ATOM 248 N LEU A 25 -0.580 7.895 5.007 1.00 0.00 N ATOM 249 CA LEU A 25 -1.725 7.288 4.402 1.00 0.00 C ATOM 250 C LEU A 25 -2.606 6.842 5.518 1.00 0.00 C ATOM 251 O LEU A 25 -3.812 7.070 5.583 1.00 0.00 O ATOM 252 CB LEU A 25 -1.247 6.046 3.629 1.00 0.00 C ATOM 253 CG LEU A 25 -0.079 6.325 2.668 1.00 0.00 C ATOM 254 CD1 LEU A 25 0.679 5.008 2.429 1.00 0.00 C ATOM 255 CD2 LEU A 25 -0.537 7.061 1.398 1.00 0.00 C ATOM 0 H LEU A 25 0.244 7.295 4.972 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.246 7.971 3.731 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.943 5.280 4.343 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.083 5.639 3.061 1.00 0.00 H new ATOM 0 HG LEU A 25 0.628 7.025 3.114 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.512 5.186 1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.060 4.630 3.378 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.003 4.274 1.991 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.321 7.236 0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.272 6.453 0.870 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.985 8.016 1.673 1.00 0.00 H new ATOM 267 N GLY A 26 -1.948 6.207 6.505 1.00 0.00 N ATOM 268 CA GLY A 26 -2.532 5.890 7.771 1.00 0.00 C ATOM 269 C GLY A 26 -2.442 4.433 8.066 1.00 0.00 C ATOM 270 O GLY A 26 -3.307 3.879 8.743 1.00 0.00 O ATOM 0 H GLY A 26 -0.978 5.904 6.419 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.027 6.453 8.556 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.577 6.200 7.778 1.00 0.00 H new ATOM 274 N ILE A 27 -1.367 3.793 7.574 1.00 0.00 N ATOM 275 CA ILE A 27 -1.106 2.418 7.873 1.00 0.00 C ATOM 276 C ILE A 27 0.124 2.309 8.706 1.00 0.00 C ATOM 277 O ILE A 27 1.168 2.885 8.402 1.00 0.00 O ATOM 278 CB ILE A 27 -1.051 1.567 6.640 1.00 0.00 C ATOM 279 CG1 ILE A 27 -0.001 2.039 5.620 1.00 0.00 C ATOM 280 CG2 ILE A 27 -2.471 1.593 6.049 1.00 0.00 C ATOM 281 CD1 ILE A 27 0.127 1.093 4.427 1.00 0.00 C ATOM 0 H ILE A 27 -0.674 4.230 6.966 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.941 2.025 8.453 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.736 0.555 6.895 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.268 3.034 5.263 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.966 2.127 6.114 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.499 0.988 5.143 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.175 1.190 6.777 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.746 2.620 5.808 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.882 1.475 3.739 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.422 0.104 4.777 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.831 1.025 3.912 1.00 0.00 H new ATOM 293 N SER A 28 0.022 1.565 9.821 1.00 0.00 N ATOM 294 CA SER A 28 1.139 1.028 10.537 1.00 0.00 C ATOM 295 C SER A 28 1.585 -0.246 9.906 1.00 0.00 C ATOM 296 O SER A 28 0.887 -1.258 9.942 1.00 0.00 O ATOM 297 CB SER A 28 0.875 0.664 12.007 1.00 0.00 C ATOM 298 OG SER A 28 0.667 1.837 12.780 1.00 0.00 O ATOM 0 H SER A 28 -0.876 1.327 10.242 1.00 0.00 H new ATOM 0 HA SER A 28 1.873 1.833 10.500 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.001 0.016 12.076 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.720 0.103 12.406 1.00 0.00 H new ATOM 0 HG SER A 28 0.499 1.588 13.713 1.00 0.00 H new ATOM 304 N VAL A 29 2.789 -0.238 9.309 1.00 0.00 N ATOM 305 CA VAL A 29 3.289 -1.353 8.566 1.00 0.00 C ATOM 306 C VAL A 29 3.844 -2.470 9.380 1.00 0.00 C ATOM 307 O VAL A 29 4.560 -2.277 10.362 1.00 0.00 O ATOM 308 CB VAL A 29 4.298 -0.886 7.558 1.00 0.00 C ATOM 309 CG1 VAL A 29 3.573 -0.001 6.531 1.00 0.00 C ATOM 310 CG2 VAL A 29 5.437 -0.133 8.265 1.00 0.00 C ATOM 0 H VAL A 29 3.427 0.557 9.342 1.00 0.00 H new ATOM 0 HA VAL A 29 2.417 -1.781 8.071 1.00 0.00 H new ATOM 0 HB VAL A 29 4.750 -1.731 7.039 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.287 0.351 5.786 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.791 -0.580 6.039 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.126 0.854 7.038 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.165 0.202 7.526 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.030 0.730 8.792 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.924 -0.797 8.979 1.00 0.00 H new ATOM 320 N THR A 30 3.545 -3.725 8.999 1.00 0.00 N ATOM 321 CA THR A 30 4.112 -4.912 9.561 1.00 0.00 C ATOM 322 C THR A 30 4.570 -5.796 8.452 1.00 0.00 C ATOM 323 O THR A 30 4.276 -5.577 7.278 1.00 0.00 O ATOM 324 CB THR A 30 3.213 -5.638 10.517 1.00 0.00 C ATOM 325 OG1 THR A 30 3.830 -6.752 11.146 1.00 0.00 O ATOM 326 CG2 THR A 30 1.926 -6.129 9.833 1.00 0.00 C ATOM 0 H THR A 30 2.871 -3.922 8.259 1.00 0.00 H new ATOM 0 HA THR A 30 4.959 -4.608 10.176 1.00 0.00 H new ATOM 0 HB THR A 30 2.977 -4.897 11.281 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.192 -7.178 11.756 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.303 -6.649 10.561 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.379 -5.276 9.431 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.182 -6.810 9.022 1.00 0.00 H new ATOM 334 N GLY A 31 5.353 -6.838 8.786 1.00 0.00 N ATOM 335 CA GLY A 31 5.962 -7.729 7.850 1.00 0.00 C ATOM 336 C GLY A 31 7.257 -7.230 7.306 1.00 0.00 C ATOM 337 O GLY A 31 8.082 -6.673 8.028 1.00 0.00 O ATOM 0 H GLY A 31 5.571 -7.069 9.755 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.127 -8.692 8.333 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.273 -7.901 7.023 1.00 0.00 H new ATOM 341 N GLY A 32 7.498 -7.444 6.001 1.00 0.00 N ATOM 342 CA GLY A 32 8.695 -7.052 5.324 1.00 0.00 C ATOM 343 C GLY A 32 9.673 -8.176 5.297 1.00 0.00 C ATOM 344 O GLY A 32 9.646 -9.033 6.178 1.00 0.00 O ATOM 0 H GLY A 32 6.828 -7.911 5.390 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.459 -6.743 4.306 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.137 -6.190 5.824 1.00 0.00 H new ATOM 348 N VAL A 33 10.598 -8.191 4.321 1.00 0.00 N ATOM 349 CA VAL A 33 11.593 -9.193 4.098 1.00 0.00 C ATOM 350 C VAL A 33 12.284 -9.678 5.327 1.00 0.00 C ATOM 351 O VAL A 33 12.513 -10.870 5.522 1.00 0.00 O ATOM 352 CB VAL A 33 12.583 -8.711 3.078 1.00 0.00 C ATOM 353 CG1 VAL A 33 13.888 -9.526 3.031 1.00 0.00 C ATOM 354 CG2 VAL A 33 11.925 -8.765 1.689 1.00 0.00 C ATOM 0 H VAL A 33 10.653 -7.440 3.633 1.00 0.00 H new ATOM 0 HA VAL A 33 11.058 -10.065 3.722 1.00 0.00 H new ATOM 0 HB VAL A 33 12.857 -7.697 3.369 1.00 0.00 H new ATOM 0 HG11 VAL A 33 14.548 -9.112 2.268 1.00 0.00 H new ATOM 0 HG12 VAL A 33 14.381 -9.479 4.002 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.660 -10.564 2.789 1.00 0.00 H new ATOM 0 HG21 VAL A 33 12.633 -8.417 0.937 1.00 0.00 H new ATOM 0 HG22 VAL A 33 11.632 -9.791 1.465 1.00 0.00 H new ATOM 0 HG23 VAL A 33 11.042 -8.125 1.679 1.00 0.00 H new ATOM 364 N ASN A 34 12.563 -8.750 6.260 1.00 0.00 N ATOM 365 CA ASN A 34 13.195 -8.969 7.525 1.00 0.00 C ATOM 366 C ASN A 34 12.451 -9.876 8.444 1.00 0.00 C ATOM 367 O ASN A 34 13.036 -10.710 9.134 1.00 0.00 O ATOM 368 CB ASN A 34 13.385 -7.588 8.176 1.00 0.00 C ATOM 369 CG ASN A 34 14.179 -7.629 9.473 1.00 0.00 C ATOM 370 OD1 ASN A 34 13.613 -7.686 10.563 1.00 0.00 O ATOM 371 ND2 ASN A 34 15.534 -7.571 9.361 1.00 0.00 N ATOM 0 H ASN A 34 12.327 -7.768 6.117 1.00 0.00 H new ATOM 0 HA ASN A 34 14.141 -9.480 7.345 1.00 0.00 H new ATOM 0 HB2 ASN A 34 13.892 -6.930 7.470 1.00 0.00 H new ATOM 0 HB3 ASN A 34 12.406 -7.151 8.373 1.00 0.00 H new ATOM 0 HD21 ASN A 34 16.116 -7.574 10.199 1.00 0.00 H new ATOM 0 HD22 ASN A 34 15.968 -7.525 8.439 1.00 0.00 H new ATOM 378 N THR A 35 11.116 -9.732 8.502 1.00 0.00 N ATOM 379 CA THR A 35 10.247 -10.268 9.504 1.00 0.00 C ATOM 380 C THR A 35 9.792 -11.649 9.179 1.00 0.00 C ATOM 381 O THR A 35 9.282 -12.370 10.036 1.00 0.00 O ATOM 382 CB THR A 35 9.064 -9.375 9.732 1.00 0.00 C ATOM 383 OG1 THR A 35 9.489 -8.032 9.909 1.00 0.00 O ATOM 384 CG2 THR A 35 8.287 -9.723 11.013 1.00 0.00 C ATOM 0 H THR A 35 10.606 -9.201 7.796 1.00 0.00 H new ATOM 0 HA THR A 35 10.831 -10.320 10.423 1.00 0.00 H new ATOM 0 HB THR A 35 8.430 -9.510 8.856 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.104 -7.471 9.203 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.443 -9.042 11.123 1.00 0.00 H new ATOM 0 HG22 THR A 35 7.921 -10.748 10.949 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.946 -9.626 11.876 1.00 0.00 H new ATOM 392 N SER A 36 9.995 -12.093 7.926 1.00 0.00 N ATOM 393 CA SER A 36 9.716 -13.406 7.431 1.00 0.00 C ATOM 394 C SER A 36 8.300 -13.571 7.002 1.00 0.00 C ATOM 395 O SER A 36 7.449 -14.104 7.713 1.00 0.00 O ATOM 396 CB SER A 36 10.192 -14.605 8.268 1.00 0.00 C ATOM 397 OG SER A 36 11.585 -14.526 8.529 1.00 0.00 O ATOM 0 H SER A 36 10.384 -11.487 7.204 1.00 0.00 H new ATOM 0 HA SER A 36 10.365 -13.446 6.556 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.644 -14.636 9.210 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.970 -15.532 7.740 1.00 0.00 H new ATOM 0 HG SER A 36 11.862 -15.299 9.064 1.00 0.00 H new ATOM 403 N VAL A 37 7.985 -13.094 5.784 1.00 0.00 N ATOM 404 CA VAL A 37 6.657 -12.999 5.263 1.00 0.00 C ATOM 405 C VAL A 37 6.588 -13.605 3.904 1.00 0.00 C ATOM 406 O VAL A 37 6.210 -12.950 2.933 1.00 0.00 O ATOM 407 CB VAL A 37 6.207 -11.569 5.204 1.00 0.00 C ATOM 408 CG1 VAL A 37 5.768 -11.093 6.599 1.00 0.00 C ATOM 409 CG2 VAL A 37 7.311 -10.660 4.637 1.00 0.00 C ATOM 0 H VAL A 37 8.692 -12.758 5.131 1.00 0.00 H new ATOM 0 HA VAL A 37 5.993 -13.546 5.932 1.00 0.00 H new ATOM 0 HB VAL A 37 5.353 -11.507 4.530 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.444 -10.054 6.543 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.943 -11.712 6.952 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.606 -11.175 7.292 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.955 -9.630 4.607 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.194 -10.720 5.273 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.568 -10.985 3.629 1.00 0.00 H new ATOM 419 N ARG A 38 6.960 -14.889 3.764 1.00 0.00 N ATOM 420 CA ARG A 38 6.947 -15.634 2.544 1.00 0.00 C ATOM 421 C ARG A 38 8.084 -15.282 1.648 1.00 0.00 C ATOM 422 O ARG A 38 8.985 -16.084 1.403 1.00 0.00 O ATOM 423 CB ARG A 38 5.598 -15.571 1.808 1.00 0.00 C ATOM 424 CG ARG A 38 5.360 -16.652 0.751 1.00 0.00 C ATOM 425 CD ARG A 38 4.907 -17.993 1.332 1.00 0.00 C ATOM 426 NE ARG A 38 3.605 -18.358 0.707 1.00 0.00 N ATOM 427 CZ ARG A 38 2.402 -17.832 1.081 1.00 0.00 C ATOM 428 NH1 ARG A 38 2.227 -17.140 2.246 1.00 0.00 N ATOM 429 NH2 ARG A 38 1.352 -17.957 0.218 1.00 0.00 N ATOM 0 H ARG A 38 7.291 -15.442 4.554 1.00 0.00 H new ATOM 0 HA ARG A 38 7.084 -16.674 2.839 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.800 -15.632 2.548 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.514 -14.596 1.328 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.607 -16.299 0.046 1.00 0.00 H new ATOM 0 HG3 ARG A 38 6.280 -16.803 0.186 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.652 -18.764 1.134 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.802 -17.922 2.415 1.00 0.00 H new ATOM 0 HE ARG A 38 3.613 -19.044 -0.048 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.015 -16.998 2.878 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.309 -16.765 2.483 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.480 -18.432 -0.675 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.439 -17.575 0.467 1.00 0.00 H new ATOM 443 N HIS A 39 8.084 -14.043 1.124 1.00 0.00 N ATOM 444 CA HIS A 39 9.145 -13.437 0.380 1.00 0.00 C ATOM 445 C HIS A 39 9.366 -12.087 0.968 1.00 0.00 C ATOM 446 O HIS A 39 10.258 -11.882 1.788 1.00 0.00 O ATOM 447 CB HIS A 39 8.845 -13.392 -1.128 1.00 0.00 C ATOM 448 CG HIS A 39 7.411 -13.155 -1.499 1.00 0.00 C ATOM 449 ND1 HIS A 39 6.917 -11.878 -1.674 1.00 0.00 N ATOM 450 CD2 HIS A 39 6.420 -14.072 -1.661 1.00 0.00 C ATOM 451 CE1 HIS A 39 5.627 -12.034 -1.910 1.00 0.00 C ATOM 452 NE2 HIS A 39 5.275 -13.348 -1.923 1.00 0.00 N ATOM 0 H HIS A 39 7.283 -13.420 1.229 1.00 0.00 H new ATOM 0 HA HIS A 39 10.057 -14.030 0.456 1.00 0.00 H new ATOM 0 HB2 HIS A 39 9.452 -12.606 -1.577 1.00 0.00 H new ATOM 0 HB3 HIS A 39 9.165 -14.335 -1.572 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.511 -15.146 -1.598 1.00 0.00 H new ATOM 0 HE1 HIS A 39 4.937 -11.219 -2.073 1.00 0.00 H new ATOM 0 HE2 HIS A 39 4.343 -13.726 -2.094 1.00 0.00 H new ATOM 460 N GLY A 40 8.514 -11.106 0.616 1.00 0.00 N ATOM 461 CA GLY A 40 8.491 -9.792 1.180 1.00 0.00 C ATOM 462 C GLY A 40 7.104 -9.251 1.131 1.00 0.00 C ATOM 463 O GLY A 40 6.142 -9.848 1.609 1.00 0.00 O ATOM 0 H GLY A 40 7.802 -11.238 -0.102 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.844 -9.822 2.211 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.167 -9.137 0.630 1.00 0.00 H new ATOM 467 N GLY A 41 6.967 -8.045 0.550 1.00 0.00 N ATOM 468 CA GLY A 41 5.799 -7.232 0.684 1.00 0.00 C ATOM 469 C GLY A 41 5.724 -6.578 2.021 1.00 0.00 C ATOM 470 O GLY A 41 6.454 -6.924 2.948 1.00 0.00 O ATOM 0 H GLY A 41 7.692 -7.623 -0.031 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.798 -6.468 -0.094 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.911 -7.845 0.530 1.00 0.00 H new ATOM 474 N ILE A 42 4.802 -5.612 2.188 1.00 0.00 N ATOM 475 CA ILE A 42 4.511 -5.069 3.478 1.00 0.00 C ATOM 476 C ILE A 42 3.042 -5.236 3.658 1.00 0.00 C ATOM 477 O ILE A 42 2.313 -5.512 2.706 1.00 0.00 O ATOM 478 CB ILE A 42 5.089 -3.703 3.704 1.00 0.00 C ATOM 479 CG1 ILE A 42 5.500 -3.448 5.164 1.00 0.00 C ATOM 480 CG2 ILE A 42 4.187 -2.533 3.280 1.00 0.00 C ATOM 481 CD1 ILE A 42 6.775 -4.175 5.587 1.00 0.00 C ATOM 0 H ILE A 42 4.257 -5.207 1.427 1.00 0.00 H new ATOM 0 HA ILE A 42 5.018 -5.602 4.282 1.00 0.00 H new ATOM 0 HB ILE A 42 5.964 -3.724 3.055 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.640 -2.377 5.309 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.685 -3.755 5.819 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.694 -1.590 3.484 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.973 -2.607 2.214 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.253 -2.571 3.841 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.997 -3.944 6.629 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.635 -5.250 5.476 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.604 -3.851 4.959 1.00 0.00 H new ATOM 493 N TYR A 43 2.535 -5.194 4.903 1.00 0.00 N ATOM 494 CA TYR A 43 1.187 -5.577 5.189 1.00 0.00 C ATOM 495 C TYR A 43 0.752 -4.611 6.236 1.00 0.00 C ATOM 496 O TYR A 43 1.587 -4.087 6.972 1.00 0.00 O ATOM 497 CB TYR A 43 1.138 -6.992 5.791 1.00 0.00 C ATOM 498 CG TYR A 43 1.764 -8.042 4.939 1.00 0.00 C ATOM 499 CD1 TYR A 43 3.129 -8.200 4.891 1.00 0.00 C ATOM 500 CD2 TYR A 43 0.981 -8.889 4.188 1.00 0.00 C ATOM 501 CE1 TYR A 43 3.708 -9.098 4.024 1.00 0.00 C ATOM 502 CE2 TYR A 43 1.549 -9.825 3.355 1.00 0.00 C ATOM 503 CZ TYR A 43 2.918 -9.910 3.247 1.00 0.00 C ATOM 504 OH TYR A 43 3.511 -10.809 2.337 1.00 0.00 O ATOM 0 H TYR A 43 3.065 -4.891 5.720 1.00 0.00 H new ATOM 0 HA TYR A 43 0.567 -5.574 4.293 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.639 -6.980 6.759 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.098 -7.261 5.973 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.756 -7.611 5.543 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.095 -8.818 4.254 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.784 -9.164 3.954 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.920 -10.493 2.786 1.00 0.00 H new ATOM 0 HH TYR A 43 4.402 -10.484 2.089 1.00 0.00 H new ATOM 514 N VAL A 44 -0.547 -4.300 6.393 1.00 0.00 N ATOM 515 CA VAL A 44 -0.973 -3.427 7.442 1.00 0.00 C ATOM 516 C VAL A 44 -1.167 -4.158 8.725 1.00 0.00 C ATOM 517 O VAL A 44 -1.722 -5.255 8.763 1.00 0.00 O ATOM 518 CB VAL A 44 -2.263 -2.737 7.113 1.00 0.00 C ATOM 519 CG1 VAL A 44 -2.497 -1.588 8.109 1.00 0.00 C ATOM 520 CG2 VAL A 44 -2.240 -2.223 5.663 1.00 0.00 C ATOM 0 H VAL A 44 -1.298 -4.650 5.798 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.177 -2.690 7.547 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.087 -3.445 7.199 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.434 -1.085 7.871 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.547 -1.989 9.121 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.676 -0.875 8.041 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.183 -1.724 5.439 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.418 -1.517 5.540 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.102 -3.062 4.982 1.00 0.00 H new ATOM 530 N LYS A 45 -0.731 -3.568 9.852 1.00 0.00 N ATOM 531 CA LYS A 45 -1.098 -4.004 11.164 1.00 0.00 C ATOM 532 C LYS A 45 -2.269 -3.217 11.643 1.00 0.00 C ATOM 533 O LYS A 45 -3.320 -3.767 11.967 1.00 0.00 O ATOM 534 CB LYS A 45 0.082 -3.873 12.143 1.00 0.00 C ATOM 535 CG LYS A 45 0.103 -4.918 13.261 1.00 0.00 C ATOM 536 CD LYS A 45 -0.953 -4.734 14.352 1.00 0.00 C ATOM 537 CE LYS A 45 -0.953 -5.828 15.422 1.00 0.00 C ATOM 538 NZ LYS A 45 -1.504 -7.096 14.894 1.00 0.00 N ATOM 0 H LYS A 45 -0.104 -2.763 9.851 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.371 -5.058 11.118 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.013 -3.944 11.580 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.055 -2.880 12.592 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.027 -5.904 12.816 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.088 -4.907 13.727 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.795 -3.770 14.835 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.938 -4.699 13.886 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.064 -5.991 15.778 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.542 -5.502 16.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.491 -7.818 15.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.483 -6.944 14.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.926 -7.418 14.092 1.00 0.00 H new ATOM 552 N ALA A 46 -2.128 -1.880 11.710 1.00 0.00 N ATOM 553 CA ALA A 46 -3.107 -1.005 12.276 1.00 0.00 C ATOM 554 C ALA A 46 -3.485 0.082 11.330 1.00 0.00 C ATOM 555 O ALA A 46 -2.629 0.723 10.721 1.00 0.00 O ATOM 556 CB ALA A 46 -2.576 -0.406 13.589 1.00 0.00 C ATOM 0 H ALA A 46 -1.304 -1.392 11.358 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.003 -1.591 12.480 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.327 0.260 14.015 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.361 -1.209 14.294 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.664 0.156 13.390 1.00 0.00 H new ATOM 562 N ILE A 47 -4.799 0.326 11.175 1.00 0.00 N ATOM 563 CA ILE A 47 -5.350 1.438 10.465 1.00 0.00 C ATOM 564 C ILE A 47 -5.671 2.512 11.447 1.00 0.00 C ATOM 565 O ILE A 47 -6.397 2.296 12.417 1.00 0.00 O ATOM 566 CB ILE A 47 -6.621 1.106 9.742 1.00 0.00 C ATOM 567 CG1 ILE A 47 -6.461 -0.086 8.783 1.00 0.00 C ATOM 568 CG2 ILE A 47 -7.173 2.331 8.994 1.00 0.00 C ATOM 569 CD1 ILE A 47 -5.500 0.205 7.632 1.00 0.00 C ATOM 0 H ILE A 47 -5.515 -0.286 11.567 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.608 1.743 9.727 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.341 0.811 10.505 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.101 -0.950 9.342 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.437 -0.353 8.377 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.095 2.058 8.480 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.378 3.130 9.706 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.439 2.674 8.265 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.427 -0.672 6.989 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.871 1.050 7.053 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.515 0.444 8.032 1.00 0.00 H new ATOM 581 N ILE A 48 -5.149 3.733 11.238 1.00 0.00 N ATOM 582 CA ILE A 48 -5.393 4.819 12.136 1.00 0.00 C ATOM 583 C ILE A 48 -6.663 5.541 11.837 1.00 0.00 C ATOM 584 O ILE A 48 -7.101 5.555 10.689 1.00 0.00 O ATOM 585 CB ILE A 48 -4.273 5.817 12.158 1.00 0.00 C ATOM 586 CG1 ILE A 48 -4.123 6.531 10.805 1.00 0.00 C ATOM 587 CG2 ILE A 48 -3.017 5.093 12.671 1.00 0.00 C ATOM 588 CD1 ILE A 48 -2.872 7.398 10.676 1.00 0.00 C ATOM 0 H ILE A 48 -4.555 3.969 10.443 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.472 4.349 13.116 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.478 6.638 12.845 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.112 5.782 10.013 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.000 7.156 10.640 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.181 5.791 12.700 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.203 4.708 13.674 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.776 4.266 12.004 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.851 7.862 9.690 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.887 8.174 11.441 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.985 6.778 10.805 1.00 0.00 H new ATOM 600 N PRO A 49 -7.290 6.192 12.772 1.00 0.00 N ATOM 601 CA PRO A 49 -8.407 7.047 12.498 1.00 0.00 C ATOM 602 C PRO A 49 -7.995 8.375 11.962 1.00 0.00 C ATOM 603 O PRO A 49 -8.170 9.399 12.622 1.00 0.00 O ATOM 604 CB PRO A 49 -9.097 7.164 13.855 1.00 0.00 C ATOM 605 CG PRO A 49 -7.947 7.070 14.870 1.00 0.00 C ATOM 606 CD PRO A 49 -7.035 6.033 14.196 1.00 0.00 C ATOM 0 HA PRO A 49 -9.058 6.647 11.721 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -9.635 8.107 13.949 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -9.825 6.366 14.002 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.446 8.027 15.013 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.290 6.740 15.851 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.987 6.213 14.434 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.269 5.022 14.530 1.00 0.00 H new ATOM 614 N LYS A 50 -7.497 8.425 10.713 1.00 0.00 N ATOM 615 CA LYS A 50 -7.268 9.640 9.996 1.00 0.00 C ATOM 616 C LYS A 50 -8.144 9.708 8.793 1.00 0.00 C ATOM 617 O LYS A 50 -9.229 10.284 8.855 1.00 0.00 O ATOM 618 CB LYS A 50 -5.795 9.892 9.635 1.00 0.00 C ATOM 619 CG LYS A 50 -4.941 10.405 10.797 1.00 0.00 C ATOM 620 CD LYS A 50 -5.368 11.790 11.286 1.00 0.00 C ATOM 621 CE LYS A 50 -4.464 12.415 12.350 1.00 0.00 C ATOM 622 NZ LYS A 50 -3.221 12.948 11.748 1.00 0.00 N ATOM 0 H LYS A 50 -7.245 7.590 10.184 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.533 10.448 10.678 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.361 8.965 9.262 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.751 10.615 8.820 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.002 9.699 11.625 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.897 10.442 10.485 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.411 12.462 10.429 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.379 11.720 11.687 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.998 13.217 12.859 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.215 11.668 13.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.626 13.366 12.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.702 12.176 11.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.460 13.677 11.046 1.00 0.00 H new ATOM 636 N GLY A 51 -7.731 9.150 7.642 1.00 0.00 N ATOM 637 CA GLY A 51 -8.485 9.372 6.446 1.00 0.00 C ATOM 638 C GLY A 51 -7.717 9.545 5.182 1.00 0.00 C ATOM 639 O GLY A 51 -8.035 10.430 4.390 1.00 0.00 O ATOM 0 H GLY A 51 -6.903 8.564 7.537 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.167 8.532 6.315 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.099 10.261 6.593 1.00 0.00 H new ATOM 643 N ALA A 52 -6.752 8.658 4.880 1.00 0.00 N ATOM 644 CA ALA A 52 -6.374 8.404 3.524 1.00 0.00 C ATOM 645 C ALA A 52 -6.541 6.950 3.250 1.00 0.00 C ATOM 646 O ALA A 52 -7.406 6.539 2.477 1.00 0.00 O ATOM 647 CB ALA A 52 -4.976 8.942 3.180 1.00 0.00 C ATOM 0 H ALA A 52 -6.234 8.118 5.573 1.00 0.00 H new ATOM 0 HA ALA A 52 -7.033 8.959 2.856 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.746 8.719 2.138 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.953 10.021 3.333 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.235 8.468 3.824 1.00 0.00 H new ATOM 653 N ALA A 53 -5.784 6.078 3.939 1.00 0.00 N ATOM 654 CA ALA A 53 -5.907 4.658 3.822 1.00 0.00 C ATOM 655 C ALA A 53 -7.195 4.129 4.351 1.00 0.00 C ATOM 656 O ALA A 53 -7.907 3.377 3.687 1.00 0.00 O ATOM 657 CB ALA A 53 -4.718 3.992 4.536 1.00 0.00 C ATOM 0 H ALA A 53 -5.063 6.370 4.599 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.900 4.416 2.759 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.804 2.909 4.452 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.787 4.319 4.074 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.720 4.275 5.588 1.00 0.00 H new ATOM 663 N GLU A 54 -7.612 4.587 5.546 1.00 0.00 N ATOM 664 CA GLU A 54 -8.890 4.294 6.115 1.00 0.00 C ATOM 665 C GLU A 54 -10.019 4.890 5.347 1.00 0.00 C ATOM 666 O GLU A 54 -11.162 4.441 5.412 1.00 0.00 O ATOM 667 CB GLU A 54 -8.899 4.699 7.598 1.00 0.00 C ATOM 668 CG GLU A 54 -9.672 5.924 8.089 1.00 0.00 C ATOM 669 CD GLU A 54 -11.158 5.745 8.367 1.00 0.00 C ATOM 670 OE1 GLU A 54 -11.600 4.689 8.891 1.00 0.00 O ATOM 671 OE2 GLU A 54 -11.912 6.720 8.102 1.00 0.00 O ATOM 0 H GLU A 54 -7.035 5.185 6.138 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.052 3.218 6.052 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.275 3.842 8.158 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.860 4.841 7.893 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.198 6.278 9.004 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.560 6.714 7.346 1.00 0.00 H new ATOM 678 N SER A 55 -9.708 5.910 4.526 1.00 0.00 N ATOM 679 CA SER A 55 -10.639 6.511 3.624 1.00 0.00 C ATOM 680 C SER A 55 -11.064 5.660 2.477 1.00 0.00 C ATOM 681 O SER A 55 -12.136 5.885 1.918 1.00 0.00 O ATOM 682 CB SER A 55 -10.158 7.855 3.050 1.00 0.00 C ATOM 683 OG SER A 55 -11.231 8.696 2.653 1.00 0.00 O ATOM 0 H SER A 55 -8.779 6.329 4.490 1.00 0.00 H new ATOM 0 HA SER A 55 -11.501 6.661 4.274 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.555 8.370 3.798 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.511 7.669 2.193 1.00 0.00 H new ATOM 0 HG SER A 55 -11.959 8.149 2.291 1.00 0.00 H new ATOM 689 N ASP A 56 -10.293 4.634 2.074 1.00 0.00 N ATOM 690 CA ASP A 56 -10.705 3.682 1.089 1.00 0.00 C ATOM 691 C ASP A 56 -11.825 2.849 1.611 1.00 0.00 C ATOM 692 O ASP A 56 -12.999 3.184 1.466 1.00 0.00 O ATOM 693 CB ASP A 56 -9.488 2.847 0.659 1.00 0.00 C ATOM 694 CG ASP A 56 -9.884 1.762 -0.332 1.00 0.00 C ATOM 695 OD1 ASP A 56 -10.410 2.091 -1.428 1.00 0.00 O ATOM 696 OD2 ASP A 56 -9.775 0.568 0.058 1.00 0.00 O ATOM 0 H ASP A 56 -9.358 4.462 2.443 1.00 0.00 H new ATOM 0 HA ASP A 56 -11.087 4.191 0.204 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.739 3.498 0.209 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.029 2.391 1.536 1.00 0.00 H new ATOM 701 N GLY A 57 -11.505 1.716 2.261 1.00 0.00 N ATOM 702 CA GLY A 57 -12.473 0.920 2.952 1.00 0.00 C ATOM 703 C GLY A 57 -12.509 -0.495 2.487 1.00 0.00 C ATOM 704 O GLY A 57 -13.233 -1.318 3.044 1.00 0.00 O ATOM 0 H GLY A 57 -10.556 1.345 2.308 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -12.254 0.939 4.020 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -13.460 1.364 2.821 1.00 0.00 H new ATOM 708 N ARG A 58 -11.722 -0.850 1.456 1.00 0.00 N ATOM 709 CA ARG A 58 -11.382 -2.210 1.173 1.00 0.00 C ATOM 710 C ARG A 58 -10.209 -2.586 2.012 1.00 0.00 C ATOM 711 O ARG A 58 -10.066 -3.741 2.412 1.00 0.00 O ATOM 712 CB ARG A 58 -11.124 -2.418 -0.328 1.00 0.00 C ATOM 713 CG ARG A 58 -12.342 -2.079 -1.191 1.00 0.00 C ATOM 714 CD ARG A 58 -12.149 -0.864 -2.099 1.00 0.00 C ATOM 715 NE ARG A 58 -11.421 -1.285 -3.329 1.00 0.00 N ATOM 716 CZ ARG A 58 -10.802 -0.396 -4.159 1.00 0.00 C ATOM 717 NH1 ARG A 58 -10.411 0.851 -3.763 1.00 0.00 N ATOM 718 NH2 ARG A 58 -10.566 -0.716 -5.464 1.00 0.00 N ATOM 0 H ARG A 58 -11.313 -0.179 0.806 1.00 0.00 H new ATOM 0 HA ARG A 58 -12.216 -2.865 1.424 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.282 -1.799 -0.637 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -10.838 -3.455 -0.503 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -12.588 -2.944 -1.807 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -13.196 -1.899 -0.539 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.115 -0.434 -2.363 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -11.588 -0.089 -1.576 1.00 0.00 H new ATOM 0 HE ARG A 58 -11.384 -2.278 -3.560 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.578 1.158 -2.805 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -9.952 1.476 -4.426 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -10.853 -1.625 -5.826 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -10.103 -0.046 -6.078 1.00 0.00 H new ATOM 732 N ILE A 59 -9.356 -1.614 2.380 1.00 0.00 N ATOM 733 CA ILE A 59 -8.344 -1.730 3.384 1.00 0.00 C ATOM 734 C ILE A 59 -8.907 -1.867 4.757 1.00 0.00 C ATOM 735 O ILE A 59 -9.732 -1.076 5.212 1.00 0.00 O ATOM 736 CB ILE A 59 -7.407 -0.558 3.371 1.00 0.00 C ATOM 737 CG1 ILE A 59 -6.923 -0.215 1.953 1.00 0.00 C ATOM 738 CG2 ILE A 59 -6.195 -0.881 4.261 1.00 0.00 C ATOM 739 CD1 ILE A 59 -5.974 0.983 1.898 1.00 0.00 C ATOM 0 H ILE A 59 -9.374 -0.690 1.949 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.799 -2.641 3.135 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.948 0.309 3.750 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.420 -1.085 1.530 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.789 -0.010 1.323 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.507 -0.036 4.259 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.532 -1.072 5.280 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.686 -1.764 3.876 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.676 1.164 0.865 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.479 1.866 2.290 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.090 0.774 2.500 1.00 0.00 H new ATOM 751 N HIS A 60 -8.452 -2.893 5.497 1.00 0.00 N ATOM 752 CA HIS A 60 -8.719 -3.078 6.889 1.00 0.00 C ATOM 753 C HIS A 60 -7.429 -3.420 7.551 1.00 0.00 C ATOM 754 O HIS A 60 -6.365 -3.022 7.079 1.00 0.00 O ATOM 755 CB HIS A 60 -9.847 -4.088 7.160 1.00 0.00 C ATOM 756 CG HIS A 60 -10.668 -3.838 8.390 1.00 0.00 C ATOM 757 ND1 HIS A 60 -10.231 -4.251 9.632 1.00 0.00 N ATOM 758 CD2 HIS A 60 -11.888 -3.246 8.495 1.00 0.00 C ATOM 759 CE1 HIS A 60 -11.197 -3.923 10.469 1.00 0.00 C ATOM 760 NE2 HIS A 60 -12.226 -3.304 9.832 1.00 0.00 N ATOM 0 H HIS A 60 -7.868 -3.631 5.104 1.00 0.00 H new ATOM 0 HA HIS A 60 -9.108 -2.155 7.320 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -10.514 -4.099 6.298 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -9.408 -5.083 7.236 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -12.473 -2.818 7.695 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -11.173 -4.122 11.530 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -13.082 -2.951 10.259 1.00 0.00 H new ATOM 768 N LYS A 61 -7.418 -4.105 8.709 1.00 0.00 N ATOM 769 CA LYS A 61 -6.204 -4.515 9.345 1.00 0.00 C ATOM 770 C LYS A 61 -5.750 -5.865 8.911 1.00 0.00 C ATOM 771 O LYS A 61 -5.972 -6.849 9.617 1.00 0.00 O ATOM 772 CB LYS A 61 -6.397 -4.490 10.871 1.00 0.00 C ATOM 773 CG LYS A 61 -6.576 -3.073 11.421 1.00 0.00 C ATOM 774 CD LYS A 61 -6.577 -2.952 12.947 1.00 0.00 C ATOM 775 CE LYS A 61 -7.908 -3.230 13.647 1.00 0.00 C ATOM 776 NZ LYS A 61 -8.001 -4.622 14.144 1.00 0.00 N ATOM 0 H LYS A 61 -8.263 -4.378 9.211 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.426 -3.813 9.047 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.269 -5.090 11.133 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.535 -4.955 11.350 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.778 -2.445 11.025 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.516 -2.671 11.042 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.831 -3.639 13.345 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.255 -1.944 13.211 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.028 -2.540 14.482 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.727 -3.038 12.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.920 -4.763 14.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.913 -5.282 13.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.236 -4.799 14.826 1.00 0.00 H new ATOM 790 N GLY A 62 -5.070 -5.996 7.759 1.00 0.00 N ATOM 791 CA GLY A 62 -4.332 -7.183 7.453 1.00 0.00 C ATOM 792 C GLY A 62 -4.253 -7.635 6.036 1.00 0.00 C ATOM 793 O GLY A 62 -4.291 -8.836 5.770 1.00 0.00 O ATOM 0 H GLY A 62 -5.031 -5.277 7.036 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.312 -7.039 7.810 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.762 -7.998 8.036 1.00 0.00 H new ATOM 797 N ASP A 63 -4.098 -6.714 5.068 1.00 0.00 N ATOM 798 CA ASP A 63 -3.958 -6.991 3.671 1.00 0.00 C ATOM 799 C ASP A 63 -2.524 -6.971 3.265 1.00 0.00 C ATOM 800 O ASP A 63 -1.673 -6.416 3.957 1.00 0.00 O ATOM 801 CB ASP A 63 -4.692 -5.910 2.860 1.00 0.00 C ATOM 802 CG ASP A 63 -6.180 -5.966 3.171 1.00 0.00 C ATOM 803 OD1 ASP A 63 -6.832 -6.971 2.780 1.00 0.00 O ATOM 804 OD2 ASP A 63 -6.702 -5.019 3.817 1.00 0.00 O ATOM 0 H ASP A 63 -4.069 -5.715 5.273 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.378 -7.978 3.480 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.295 -4.925 3.105 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.526 -6.065 1.794 1.00 0.00 H new ATOM 809 N ARG A 64 -2.190 -7.532 2.089 1.00 0.00 N ATOM 810 CA ARG A 64 -0.881 -7.467 1.515 1.00 0.00 C ATOM 811 C ARG A 64 -0.798 -6.242 0.671 1.00 0.00 C ATOM 812 O ARG A 64 -1.622 -6.056 -0.224 1.00 0.00 O ATOM 813 CB ARG A 64 -0.626 -8.696 0.626 1.00 0.00 C ATOM 814 CG ARG A 64 0.692 -8.729 -0.149 1.00 0.00 C ATOM 815 CD ARG A 64 0.842 -9.971 -1.029 1.00 0.00 C ATOM 816 NE ARG A 64 2.084 -9.806 -1.835 1.00 0.00 N ATOM 817 CZ ARG A 64 2.275 -10.360 -3.067 1.00 0.00 C ATOM 818 NH1 ARG A 64 1.439 -11.298 -3.601 1.00 0.00 N ATOM 819 NH2 ARG A 64 3.351 -9.973 -3.813 1.00 0.00 N ATOM 0 H ARG A 64 -2.856 -8.050 1.516 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.138 -7.443 2.312 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.672 -9.585 1.255 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.443 -8.771 -0.091 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.761 -7.838 -0.774 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.522 -8.689 0.556 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.901 -10.870 -0.415 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.025 -10.086 -1.680 1.00 0.00 H new ATOM 0 HE ARG A 64 2.839 -9.244 -1.441 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.626 -11.616 -3.073 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.627 -11.681 -4.528 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.001 -9.277 -3.448 1.00 0.00 H new ATOM 0 HH22 ARG A 64 3.505 -10.380 -4.736 1.00 0.00 H new ATOM 833 N VAL A 65 0.188 -5.353 0.891 1.00 0.00 N ATOM 834 CA VAL A 65 0.498 -4.326 -0.054 1.00 0.00 C ATOM 835 C VAL A 65 1.723 -4.777 -0.773 1.00 0.00 C ATOM 836 O VAL A 65 2.762 -5.086 -0.189 1.00 0.00 O ATOM 837 CB VAL A 65 0.530 -2.916 0.459 1.00 0.00 C ATOM 838 CG1 VAL A 65 1.407 -2.788 1.716 1.00 0.00 C ATOM 839 CG2 VAL A 65 0.995 -1.926 -0.622 1.00 0.00 C ATOM 0 H VAL A 65 0.772 -5.346 1.727 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.336 -4.218 -0.747 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.494 -2.660 0.733 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.405 -1.753 2.057 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.011 -3.430 2.503 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.427 -3.090 1.480 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.004 -0.916 -0.211 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.999 -2.193 -0.952 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.312 -1.966 -1.470 1.00 0.00 H new ATOM 849 N LEU A 66 1.611 -4.927 -2.104 1.00 0.00 N ATOM 850 CA LEU A 66 2.631 -5.478 -2.941 1.00 0.00 C ATOM 851 C LEU A 66 3.367 -4.425 -3.696 1.00 0.00 C ATOM 852 O LEU A 66 4.542 -4.607 -4.015 1.00 0.00 O ATOM 853 CB LEU A 66 2.062 -6.550 -3.885 1.00 0.00 C ATOM 854 CG LEU A 66 0.784 -6.235 -4.681 1.00 0.00 C ATOM 855 CD1 LEU A 66 0.810 -6.991 -6.020 1.00 0.00 C ATOM 856 CD2 LEU A 66 -0.470 -6.669 -3.906 1.00 0.00 C ATOM 0 H LEU A 66 0.774 -4.653 -2.619 1.00 0.00 H new ATOM 0 HA LEU A 66 3.354 -5.962 -2.285 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.842 -6.806 -4.602 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.869 -7.443 -3.291 1.00 0.00 H new ATOM 0 HG LEU A 66 0.749 -5.158 -4.847 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.096 -6.766 -6.582 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.681 -6.680 -6.597 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.864 -8.063 -5.831 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.359 -6.435 -4.492 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.430 -7.742 -3.721 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.512 -6.138 -2.955 1.00 0.00 H new ATOM 868 N ALA A 67 2.719 -3.289 -4.009 1.00 0.00 N ATOM 869 CA ALA A 67 3.390 -2.246 -4.719 1.00 0.00 C ATOM 870 C ALA A 67 2.839 -0.898 -4.405 1.00 0.00 C ATOM 871 O ALA A 67 1.745 -0.771 -3.858 1.00 0.00 O ATOM 872 CB ALA A 67 3.328 -2.505 -6.234 1.00 0.00 C ATOM 0 H ALA A 67 1.746 -3.094 -3.775 1.00 0.00 H new ATOM 0 HA ALA A 67 4.430 -2.254 -4.391 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.843 -1.702 -6.762 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.810 -3.456 -6.461 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.287 -2.540 -6.555 1.00 0.00 H new ATOM 878 N VAL A 68 3.601 0.171 -4.699 1.00 0.00 N ATOM 879 CA VAL A 68 3.228 1.516 -4.390 1.00 0.00 C ATOM 880 C VAL A 68 3.588 2.429 -5.511 1.00 0.00 C ATOM 881 O VAL A 68 4.762 2.471 -5.877 1.00 0.00 O ATOM 882 CB VAL A 68 3.957 2.036 -3.187 1.00 0.00 C ATOM 883 CG1 VAL A 68 3.379 3.403 -2.785 1.00 0.00 C ATOM 884 CG2 VAL A 68 3.855 1.054 -2.009 1.00 0.00 C ATOM 0 H VAL A 68 4.505 0.097 -5.166 1.00 0.00 H new ATOM 0 HA VAL A 68 2.153 1.496 -4.209 1.00 0.00 H new ATOM 0 HB VAL A 68 5.011 2.146 -3.443 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.910 3.780 -1.911 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.496 4.105 -3.611 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.321 3.295 -2.548 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.393 1.458 -1.151 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.807 0.910 -1.745 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.292 0.097 -2.294 1.00 0.00 H new ATOM 894 N ASN A 69 2.662 3.193 -6.119 1.00 0.00 N ATOM 895 CA ASN A 69 2.952 4.057 -7.221 1.00 0.00 C ATOM 896 C ASN A 69 3.481 3.336 -8.414 1.00 0.00 C ATOM 897 O ASN A 69 4.238 3.865 -9.226 1.00 0.00 O ATOM 898 CB ASN A 69 3.853 5.205 -6.738 1.00 0.00 C ATOM 899 CG ASN A 69 3.752 6.473 -7.573 1.00 0.00 C ATOM 900 OD1 ASN A 69 3.046 6.560 -8.577 1.00 0.00 O ATOM 901 ND2 ASN A 69 4.488 7.522 -7.116 1.00 0.00 N ATOM 0 H ASN A 69 1.682 3.210 -5.835 1.00 0.00 H new ATOM 0 HA ASN A 69 2.018 4.488 -7.581 1.00 0.00 H new ATOM 0 HB2 ASN A 69 3.597 5.442 -5.705 1.00 0.00 H new ATOM 0 HB3 ASN A 69 4.888 4.864 -6.740 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.465 8.415 -7.609 1.00 0.00 H new ATOM 0 HD22 ASN A 69 5.063 7.416 -6.280 1.00 0.00 H new ATOM 908 N GLY A 70 3.115 2.049 -8.548 1.00 0.00 N ATOM 909 CA GLY A 70 3.618 1.136 -9.526 1.00 0.00 C ATOM 910 C GLY A 70 4.901 0.480 -9.143 1.00 0.00 C ATOM 911 O GLY A 70 5.439 -0.339 -9.887 1.00 0.00 O ATOM 0 H GLY A 70 2.423 1.620 -7.933 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.869 0.366 -9.708 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.761 1.669 -10.466 1.00 0.00 H new ATOM 915 N VAL A 71 5.448 0.809 -7.960 1.00 0.00 N ATOM 916 CA VAL A 71 6.740 0.389 -7.513 1.00 0.00 C ATOM 917 C VAL A 71 6.559 -0.773 -6.598 1.00 0.00 C ATOM 918 O VAL A 71 6.186 -0.644 -5.433 1.00 0.00 O ATOM 919 CB VAL A 71 7.557 1.431 -6.808 1.00 0.00 C ATOM 920 CG1 VAL A 71 8.980 0.904 -6.561 1.00 0.00 C ATOM 921 CG2 VAL A 71 7.614 2.700 -7.676 1.00 0.00 C ATOM 0 H VAL A 71 4.965 1.397 -7.281 1.00 0.00 H new ATOM 0 HA VAL A 71 7.301 0.145 -8.415 1.00 0.00 H new ATOM 0 HB VAL A 71 7.097 1.665 -5.848 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.567 1.667 -6.049 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.934 0.007 -5.944 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.450 0.665 -7.515 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.207 3.461 -7.169 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.072 2.464 -8.636 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.604 3.075 -7.839 1.00 0.00 H new ATOM 931 N SER A 72 6.809 -1.990 -7.111 1.00 0.00 N ATOM 932 CA SER A 72 6.798 -3.195 -6.341 1.00 0.00 C ATOM 933 C SER A 72 7.829 -3.227 -5.266 1.00 0.00 C ATOM 934 O SER A 72 8.973 -2.811 -5.442 1.00 0.00 O ATOM 935 CB SER A 72 6.888 -4.455 -7.219 1.00 0.00 C ATOM 936 OG SER A 72 7.958 -4.394 -8.151 1.00 0.00 O ATOM 0 H SER A 72 7.026 -2.141 -8.096 1.00 0.00 H new ATOM 0 HA SER A 72 5.827 -3.198 -5.845 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.016 -5.330 -6.581 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.949 -4.587 -7.757 1.00 0.00 H new ATOM 0 HG SER A 72 7.975 -5.216 -8.684 1.00 0.00 H new ATOM 942 N LEU A 73 7.430 -3.702 -4.072 1.00 0.00 N ATOM 943 CA LEU A 73 8.225 -3.653 -2.884 1.00 0.00 C ATOM 944 C LEU A 73 9.465 -4.476 -2.964 1.00 0.00 C ATOM 945 O LEU A 73 10.537 -3.991 -2.603 1.00 0.00 O ATOM 946 CB LEU A 73 7.383 -4.001 -1.645 1.00 0.00 C ATOM 947 CG LEU A 73 6.622 -2.773 -1.119 1.00 0.00 C ATOM 948 CD1 LEU A 73 5.466 -3.155 -0.179 1.00 0.00 C ATOM 949 CD2 LEU A 73 7.555 -1.805 -0.372 1.00 0.00 C ATOM 0 H LEU A 73 6.519 -4.137 -3.929 1.00 0.00 H new ATOM 0 HA LEU A 73 8.569 -2.623 -2.784 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.674 -4.790 -1.895 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.031 -4.392 -0.861 1.00 0.00 H new ATOM 0 HG LEU A 73 6.212 -2.284 -2.003 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.962 -2.251 0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.756 -3.786 -0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.860 -3.699 0.680 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.981 -0.950 -0.015 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.008 -2.318 0.477 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.338 -1.460 -1.047 1.00 0.00 H new ATOM 961 N GLU A 74 9.360 -5.707 -3.495 1.00 0.00 N ATOM 962 CA GLU A 74 10.391 -6.521 -4.058 1.00 0.00 C ATOM 963 C GLU A 74 11.780 -6.338 -3.551 1.00 0.00 C ATOM 964 O GLU A 74 12.601 -5.625 -4.126 1.00 0.00 O ATOM 965 CB GLU A 74 10.259 -6.429 -5.587 1.00 0.00 C ATOM 966 CG GLU A 74 10.666 -7.679 -6.369 1.00 0.00 C ATOM 967 CD GLU A 74 12.137 -7.707 -6.760 1.00 0.00 C ATOM 968 OE1 GLU A 74 12.527 -6.907 -7.651 1.00 0.00 O ATOM 969 OE2 GLU A 74 12.895 -8.548 -6.207 1.00 0.00 O ATOM 0 H GLU A 74 8.456 -6.179 -3.532 1.00 0.00 H new ATOM 0 HA GLU A 74 10.222 -7.539 -3.706 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.223 -6.194 -5.829 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.865 -5.593 -5.935 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.442 -8.561 -5.768 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.058 -7.746 -7.271 1.00 0.00 H new ATOM 976 N GLY A 75 12.067 -6.934 -2.380 1.00 0.00 N ATOM 977 CA GLY A 75 13.263 -6.726 -1.625 1.00 0.00 C ATOM 978 C GLY A 75 13.086 -5.910 -0.391 1.00 0.00 C ATOM 979 O GLY A 75 13.904 -5.990 0.524 1.00 0.00 O ATOM 0 H GLY A 75 11.430 -7.596 -1.937 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.674 -7.696 -1.347 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.000 -6.239 -2.264 1.00 0.00 H new ATOM 983 N ALA A 76 12.031 -5.080 -0.299 1.00 0.00 N ATOM 984 CA ALA A 76 11.825 -4.168 0.783 1.00 0.00 C ATOM 985 C ALA A 76 11.559 -4.760 2.123 1.00 0.00 C ATOM 986 O ALA A 76 10.881 -5.772 2.298 1.00 0.00 O ATOM 987 CB ALA A 76 10.745 -3.132 0.431 1.00 0.00 C ATOM 0 H ALA A 76 11.295 -5.043 -1.004 1.00 0.00 H new ATOM 0 HA ALA A 76 12.798 -3.691 0.896 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.607 -2.450 1.270 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.055 -2.567 -0.448 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.805 -3.643 0.221 1.00 0.00 H new ATOM 993 N THR A 77 12.129 -4.128 3.166 1.00 0.00 N ATOM 994 CA THR A 77 12.139 -4.561 4.529 1.00 0.00 C ATOM 995 C THR A 77 11.079 -3.852 5.298 1.00 0.00 C ATOM 996 O THR A 77 10.102 -3.379 4.720 1.00 0.00 O ATOM 997 CB THR A 77 13.472 -4.306 5.168 1.00 0.00 C ATOM 998 OG1 THR A 77 13.808 -2.929 5.247 1.00 0.00 O ATOM 999 CG2 THR A 77 14.580 -4.947 4.317 1.00 0.00 C ATOM 0 H THR A 77 12.622 -3.243 3.044 1.00 0.00 H new ATOM 0 HA THR A 77 11.947 -5.634 4.541 1.00 0.00 H new ATOM 0 HB THR A 77 13.397 -4.722 6.173 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.685 -2.830 5.674 1.00 0.00 H new ATOM 0 HG21 THR A 77 15.549 -4.762 4.781 1.00 0.00 H new ATOM 0 HG22 THR A 77 14.410 -6.021 4.248 1.00 0.00 H new ATOM 0 HG23 THR A 77 14.568 -4.513 3.317 1.00 0.00 H new ATOM 1007 N HIS A 78 11.217 -3.683 6.625 1.00 0.00 N ATOM 1008 CA HIS A 78 10.359 -2.784 7.332 1.00 0.00 C ATOM 1009 C HIS A 78 10.714 -1.367 7.037 1.00 0.00 C ATOM 1010 O HIS A 78 9.843 -0.579 6.671 1.00 0.00 O ATOM 1011 CB HIS A 78 10.324 -3.010 8.852 1.00 0.00 C ATOM 1012 CG HIS A 78 9.711 -1.894 9.644 1.00 0.00 C ATOM 1013 ND1 HIS A 78 8.374 -1.598 9.603 1.00 0.00 N ATOM 1014 CD2 HIS A 78 10.310 -0.902 10.356 1.00 0.00 C ATOM 1015 CE1 HIS A 78 8.168 -0.473 10.263 1.00 0.00 C ATOM 1016 NE2 HIS A 78 9.320 -0.035 10.734 1.00 0.00 N ATOM 0 H HIS A 78 11.911 -4.160 7.201 1.00 0.00 H new ATOM 0 HA HIS A 78 9.355 -3.000 6.967 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.770 -3.927 9.055 1.00 0.00 H new ATOM 0 HB3 HIS A 78 11.343 -3.168 9.204 1.00 0.00 H new ATOM 0 HD2 HIS A 78 11.363 -0.815 10.580 1.00 0.00 H new ATOM 0 HE1 HIS A 78 7.211 0.010 10.396 1.00 0.00 H new ATOM 0 HE2 HIS A 78 9.452 0.811 11.289 1.00 0.00 H new ATOM 1025 N LYS A 79 11.999 -0.991 7.163 1.00 0.00 N ATOM 1026 CA LYS A 79 12.464 0.334 6.895 1.00 0.00 C ATOM 1027 C LYS A 79 12.304 0.723 5.465 1.00 0.00 C ATOM 1028 O LYS A 79 11.810 1.804 5.149 1.00 0.00 O ATOM 1029 CB LYS A 79 13.932 0.515 7.313 1.00 0.00 C ATOM 1030 CG LYS A 79 14.332 1.986 7.443 1.00 0.00 C ATOM 1031 CD LYS A 79 15.827 2.203 7.689 1.00 0.00 C ATOM 1032 CE LYS A 79 16.138 3.659 8.041 1.00 0.00 C ATOM 1033 NZ LYS A 79 17.597 3.906 8.082 1.00 0.00 N ATOM 0 H LYS A 79 12.737 -1.629 7.461 1.00 0.00 H new ATOM 0 HA LYS A 79 11.836 0.992 7.496 1.00 0.00 H new ATOM 0 HB2 LYS A 79 14.099 0.012 8.265 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.577 0.031 6.579 1.00 0.00 H new ATOM 0 HG2 LYS A 79 14.043 2.513 6.533 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.770 2.434 8.263 1.00 0.00 H new ATOM 0 HD2 LYS A 79 16.160 1.554 8.499 1.00 0.00 H new ATOM 0 HD3 LYS A 79 16.387 1.916 6.799 1.00 0.00 H new ATOM 0 HE2 LYS A 79 15.676 4.319 7.306 1.00 0.00 H new ATOM 0 HE3 LYS A 79 15.699 3.903 9.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 17.774 4.902 8.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 18.033 3.293 8.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 18.011 3.697 7.151 1.00 0.00 H new ATOM 1047 N GLN A 80 12.662 -0.168 4.524 1.00 0.00 N ATOM 1048 CA GLN A 80 12.489 0.091 3.128 1.00 0.00 C ATOM 1049 C GLN A 80 11.067 0.164 2.691 1.00 0.00 C ATOM 1050 O GLN A 80 10.720 0.942 1.803 1.00 0.00 O ATOM 1051 CB GLN A 80 13.307 -0.923 2.312 1.00 0.00 C ATOM 1052 CG GLN A 80 14.122 -0.308 1.171 1.00 0.00 C ATOM 1053 CD GLN A 80 13.256 0.180 0.018 1.00 0.00 C ATOM 1054 OE1 GLN A 80 12.687 -0.623 -0.718 1.00 0.00 O ATOM 1055 NE2 GLN A 80 13.161 1.522 -0.181 1.00 0.00 N ATOM 0 H GLN A 80 13.075 -1.077 4.733 1.00 0.00 H new ATOM 0 HA GLN A 80 12.871 1.094 2.936 1.00 0.00 H new ATOM 0 HB2 GLN A 80 13.985 -1.449 2.984 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.629 -1.668 1.897 1.00 0.00 H new ATOM 0 HG2 GLN A 80 14.706 0.527 1.558 1.00 0.00 H new ATOM 0 HG3 GLN A 80 14.831 -1.048 0.798 1.00 0.00 H new ATOM 0 HE21 GLN A 80 13.644 2.166 0.446 1.00 0.00 H new ATOM 0 HE22 GLN A 80 12.607 1.885 -0.957 1.00 0.00 H new ATOM 1064 N ALA A 81 10.137 -0.584 3.312 1.00 0.00 N ATOM 1065 CA ALA A 81 8.741 -0.399 3.062 1.00 0.00 C ATOM 1066 C ALA A 81 8.198 0.918 3.499 1.00 0.00 C ATOM 1067 O ALA A 81 7.426 1.542 2.774 1.00 0.00 O ATOM 1068 CB ALA A 81 7.921 -1.492 3.769 1.00 0.00 C ATOM 0 H ALA A 81 10.352 -1.317 3.988 1.00 0.00 H new ATOM 0 HA ALA A 81 8.649 -0.451 1.977 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.861 -1.338 3.569 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.222 -2.471 3.396 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.099 -1.443 4.843 1.00 0.00 H new ATOM 1074 N VAL A 82 8.616 1.410 4.679 1.00 0.00 N ATOM 1075 CA VAL A 82 8.335 2.733 5.143 1.00 0.00 C ATOM 1076 C VAL A 82 8.788 3.734 4.137 1.00 0.00 C ATOM 1077 O VAL A 82 7.967 4.490 3.619 1.00 0.00 O ATOM 1078 CB VAL A 82 8.906 3.062 6.490 1.00 0.00 C ATOM 1079 CG1 VAL A 82 8.752 4.545 6.868 1.00 0.00 C ATOM 1080 CG2 VAL A 82 8.176 2.202 7.535 1.00 0.00 C ATOM 0 H VAL A 82 9.172 0.864 5.336 1.00 0.00 H new ATOM 0 HA VAL A 82 7.253 2.775 5.268 1.00 0.00 H new ATOM 0 HB VAL A 82 9.976 2.854 6.460 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.185 4.716 7.853 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.267 5.163 6.133 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.694 4.808 6.886 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.572 2.421 8.527 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.110 2.428 7.512 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.328 1.147 7.308 1.00 0.00 H new ATOM 1090 N GLU A 83 10.073 3.723 3.741 1.00 0.00 N ATOM 1091 CA GLU A 83 10.650 4.553 2.730 1.00 0.00 C ATOM 1092 C GLU A 83 9.907 4.640 1.441 1.00 0.00 C ATOM 1093 O GLU A 83 9.647 5.728 0.930 1.00 0.00 O ATOM 1094 CB GLU A 83 12.088 4.060 2.494 1.00 0.00 C ATOM 1095 CG GLU A 83 12.949 5.098 1.773 1.00 0.00 C ATOM 1096 CD GLU A 83 14.387 4.628 1.609 1.00 0.00 C ATOM 1097 OE1 GLU A 83 14.648 3.670 0.832 1.00 0.00 O ATOM 1098 OE2 GLU A 83 15.286 5.245 2.240 1.00 0.00 O ATOM 0 H GLU A 83 10.756 3.089 4.157 1.00 0.00 H new ATOM 0 HA GLU A 83 10.610 5.575 3.107 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.547 3.814 3.452 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.063 3.142 1.907 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.521 5.306 0.792 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.934 6.033 2.332 1.00 0.00 H new ATOM 1105 N THR A 84 9.486 3.480 0.907 1.00 0.00 N ATOM 1106 CA THR A 84 8.740 3.289 -0.298 1.00 0.00 C ATOM 1107 C THR A 84 7.391 3.920 -0.270 1.00 0.00 C ATOM 1108 O THR A 84 6.895 4.401 -1.287 1.00 0.00 O ATOM 1109 CB THR A 84 8.669 1.835 -0.660 1.00 0.00 C ATOM 1110 OG1 THR A 84 9.980 1.308 -0.797 1.00 0.00 O ATOM 1111 CG2 THR A 84 7.988 1.514 -2.001 1.00 0.00 C ATOM 0 H THR A 84 9.689 2.591 1.365 1.00 0.00 H new ATOM 0 HA THR A 84 9.286 3.811 -1.084 1.00 0.00 H new ATOM 0 HB THR A 84 8.081 1.402 0.149 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.345 1.105 0.089 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.992 0.436 -2.162 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.959 1.874 -1.982 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.529 2.004 -2.810 1.00 0.00 H new ATOM 1119 N LEU A 85 6.726 4.006 0.897 1.00 0.00 N ATOM 1120 CA LEU A 85 5.498 4.721 1.055 1.00 0.00 C ATOM 1121 C LEU A 85 5.683 6.159 1.395 1.00 0.00 C ATOM 1122 O LEU A 85 4.967 7.039 0.919 1.00 0.00 O ATOM 1123 CB LEU A 85 4.699 4.109 2.220 1.00 0.00 C ATOM 1124 CG LEU A 85 4.258 2.655 1.984 1.00 0.00 C ATOM 1125 CD1 LEU A 85 3.913 1.959 3.312 1.00 0.00 C ATOM 1126 CD2 LEU A 85 3.056 2.562 1.030 1.00 0.00 C ATOM 0 H LEU A 85 7.053 3.564 1.756 1.00 0.00 H new ATOM 0 HA LEU A 85 4.988 4.646 0.094 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.306 4.151 3.124 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.815 4.721 2.401 1.00 0.00 H new ATOM 0 HG LEU A 85 5.103 2.147 1.519 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.604 0.932 3.115 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.789 1.957 3.960 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.100 2.494 3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.780 1.516 0.893 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.213 3.108 1.453 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.322 2.996 0.066 1.00 0.00 H new ATOM 1138 N ARG A 86 6.651 6.465 2.277 1.00 0.00 N ATOM 1139 CA ARG A 86 6.796 7.726 2.935 1.00 0.00 C ATOM 1140 C ARG A 86 7.441 8.794 2.119 1.00 0.00 C ATOM 1141 O ARG A 86 7.032 9.951 2.191 1.00 0.00 O ATOM 1142 CB ARG A 86 7.566 7.509 4.248 1.00 0.00 C ATOM 1143 CG ARG A 86 9.076 7.286 4.154 1.00 0.00 C ATOM 1144 CD ARG A 86 9.804 8.558 4.595 1.00 0.00 C ATOM 1145 NE ARG A 86 11.268 8.489 4.325 1.00 0.00 N ATOM 1146 CZ ARG A 86 12.025 9.625 4.350 1.00 0.00 C ATOM 1147 NH1 ARG A 86 11.457 10.854 4.518 1.00 0.00 N ATOM 1148 NH2 ARG A 86 13.383 9.547 4.239 1.00 0.00 N ATOM 0 H ARG A 86 7.372 5.795 2.545 1.00 0.00 H new ATOM 0 HA ARG A 86 5.788 8.097 3.121 1.00 0.00 H new ATOM 0 HB2 ARG A 86 7.393 8.376 4.886 1.00 0.00 H new ATOM 0 HB3 ARG A 86 7.130 6.648 4.755 1.00 0.00 H new ATOM 0 HG2 ARG A 86 9.371 6.447 4.784 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.354 7.030 3.132 1.00 0.00 H new ATOM 0 HD2 ARG A 86 9.380 9.417 4.074 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.640 8.718 5.661 1.00 0.00 H new ATOM 0 HE ARG A 86 11.706 7.591 4.121 1.00 0.00 H new ATOM 0 HH11 ARG A 86 10.446 10.938 4.628 1.00 0.00 H new ATOM 0 HH12 ARG A 86 12.043 11.689 4.533 1.00 0.00 H new ATOM 0 HH21 ARG A 86 13.835 8.638 4.137 1.00 0.00 H new ATOM 0 HH22 ARG A 86 13.946 10.397 4.258 1.00 0.00 H new ATOM 1162 N ASN A 87 8.469 8.496 1.303 1.00 0.00 N ATOM 1163 CA ASN A 87 9.279 9.488 0.669 1.00 0.00 C ATOM 1164 C ASN A 87 8.727 9.885 -0.658 1.00 0.00 C ATOM 1165 O ASN A 87 9.422 10.274 -1.595 1.00 0.00 O ATOM 1166 CB ASN A 87 10.733 9.000 0.569 1.00 0.00 C ATOM 1167 CG ASN A 87 11.711 10.166 0.562 1.00 0.00 C ATOM 1168 OD1 ASN A 87 11.374 11.297 0.908 1.00 0.00 O ATOM 1169 ND2 ASN A 87 12.988 9.898 0.176 1.00 0.00 N ATOM 0 H ASN A 87 8.743 7.540 1.079 1.00 0.00 H new ATOM 0 HA ASN A 87 9.268 10.387 1.286 1.00 0.00 H new ATOM 0 HB2 ASN A 87 10.956 8.341 1.408 1.00 0.00 H new ATOM 0 HB3 ASN A 87 10.859 8.412 -0.340 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.686 10.642 0.170 1.00 0.00 H new ATOM 0 HD22 ASN A 87 13.247 8.953 -0.107 1.00 0.00 H new ATOM 1176 N THR A 88 7.389 9.789 -0.759 1.00 0.00 N ATOM 1177 CA THR A 88 6.555 10.061 -1.888 1.00 0.00 C ATOM 1178 C THR A 88 6.007 11.443 -1.791 1.00 0.00 C ATOM 1179 O THR A 88 5.829 11.990 -0.703 1.00 0.00 O ATOM 1180 CB THR A 88 5.457 9.041 -1.946 1.00 0.00 C ATOM 1181 OG1 THR A 88 4.621 9.104 -0.799 1.00 0.00 O ATOM 1182 CG2 THR A 88 6.088 7.638 -1.931 1.00 0.00 C ATOM 0 H THR A 88 6.834 9.487 0.041 1.00 0.00 H new ATOM 0 HA THR A 88 7.137 9.996 -2.807 1.00 0.00 H new ATOM 0 HB THR A 88 4.875 9.238 -2.846 1.00 0.00 H new ATOM 0 HG1 THR A 88 4.784 8.322 -0.232 1.00 0.00 H new ATOM 0 HG21 THR A 88 5.301 6.885 -1.973 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.745 7.525 -2.794 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.666 7.509 -1.016 1.00 0.00 H new ATOM 1190 N GLY A 89 5.717 12.084 -2.937 1.00 0.00 N ATOM 1191 CA GLY A 89 5.316 13.455 -2.988 1.00 0.00 C ATOM 1192 C GLY A 89 3.921 13.712 -2.530 1.00 0.00 C ATOM 1193 O GLY A 89 3.698 14.502 -1.614 1.00 0.00 O ATOM 0 H GLY A 89 5.763 11.637 -3.853 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.999 14.043 -2.375 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.419 13.812 -4.013 1.00 0.00 H new ATOM 1197 N GLN A 90 2.925 13.073 -3.169 1.00 0.00 N ATOM 1198 CA GLN A 90 1.552 13.244 -2.805 1.00 0.00 C ATOM 1199 C GLN A 90 0.734 12.034 -3.100 1.00 0.00 C ATOM 1200 O GLN A 90 0.254 11.380 -2.174 1.00 0.00 O ATOM 1201 CB GLN A 90 0.926 14.491 -3.449 1.00 0.00 C ATOM 1202 CG GLN A 90 -0.512 14.735 -2.986 1.00 0.00 C ATOM 1203 CD GLN A 90 -0.960 16.148 -3.333 1.00 0.00 C ATOM 1204 OE1 GLN A 90 -0.896 16.570 -4.487 1.00 0.00 O ATOM 1205 NE2 GLN A 90 -1.415 16.908 -2.302 1.00 0.00 N ATOM 0 H GLN A 90 3.073 12.430 -3.947 1.00 0.00 H new ATOM 0 HA GLN A 90 1.548 13.393 -1.725 1.00 0.00 H new ATOM 0 HB2 GLN A 90 1.534 15.363 -3.209 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.941 14.381 -4.533 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -1.178 14.012 -3.457 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -0.583 14.580 -1.909 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -1.452 16.520 -1.360 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -1.720 17.867 -2.471 1.00 0.00 H new ATOM 1214 N VAL A 91 0.523 11.679 -4.380 1.00 0.00 N ATOM 1215 CA VAL A 91 -0.259 10.532 -4.723 1.00 0.00 C ATOM 1216 C VAL A 91 0.498 9.272 -4.472 1.00 0.00 C ATOM 1217 O VAL A 91 1.638 9.088 -4.894 1.00 0.00 O ATOM 1218 CB VAL A 91 -0.847 10.502 -6.103 1.00 0.00 C ATOM 1219 CG1 VAL A 91 -1.625 9.202 -6.371 1.00 0.00 C ATOM 1220 CG2 VAL A 91 -1.798 11.704 -6.234 1.00 0.00 C ATOM 0 H VAL A 91 0.896 12.189 -5.181 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.119 10.614 -4.059 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.039 10.550 -6.832 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.033 9.224 -7.381 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.954 8.349 -6.269 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.440 9.111 -5.653 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.242 11.710 -7.229 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.586 11.628 -5.485 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.240 12.628 -6.081 1.00 0.00 H new ATOM 1230 N VAL A 92 -0.171 8.370 -3.733 1.00 0.00 N ATOM 1231 CA VAL A 92 0.277 7.050 -3.412 1.00 0.00 C ATOM 1232 C VAL A 92 -0.779 6.107 -3.877 1.00 0.00 C ATOM 1233 O VAL A 92 -1.840 5.970 -3.271 1.00 0.00 O ATOM 1234 CB VAL A 92 0.516 6.941 -1.936 1.00 0.00 C ATOM 1235 CG1 VAL A 92 0.876 5.501 -1.533 1.00 0.00 C ATOM 1236 CG2 VAL A 92 1.676 7.877 -1.558 1.00 0.00 C ATOM 0 H VAL A 92 -1.086 8.577 -3.333 1.00 0.00 H new ATOM 0 HA VAL A 92 1.221 6.812 -3.902 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.397 7.222 -1.411 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.043 5.455 -0.457 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.058 4.833 -1.802 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.782 5.193 -2.054 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.863 7.810 -0.486 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.573 7.583 -2.102 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.415 8.903 -1.817 1.00 0.00 H new ATOM 1246 N HIS A 93 -0.539 5.420 -5.008 1.00 0.00 N ATOM 1247 CA HIS A 93 -1.348 4.338 -5.477 1.00 0.00 C ATOM 1248 C HIS A 93 -0.967 3.089 -4.760 1.00 0.00 C ATOM 1249 O HIS A 93 0.065 2.499 -5.079 1.00 0.00 O ATOM 1250 CB HIS A 93 -1.180 4.053 -6.979 1.00 0.00 C ATOM 1251 CG HIS A 93 -1.593 5.159 -7.903 1.00 0.00 C ATOM 1252 ND1 HIS A 93 -0.794 6.276 -8.038 1.00 0.00 N ATOM 1253 CD2 HIS A 93 -2.671 5.238 -8.728 1.00 0.00 C ATOM 1254 CE1 HIS A 93 -1.403 7.020 -8.943 1.00 0.00 C ATOM 1255 NE2 HIS A 93 -2.550 6.442 -9.391 1.00 0.00 N ATOM 0 H HIS A 93 0.250 5.627 -5.620 1.00 0.00 H new ATOM 0 HA HIS A 93 -2.380 4.634 -5.291 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -0.133 3.817 -7.170 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -1.758 3.163 -7.227 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -3.459 4.509 -8.841 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -1.034 7.975 -9.287 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -3.195 6.824 -10.082 1.00 0.00 H new ATOM 1263 N LEU A 94 -1.749 2.611 -3.777 1.00 0.00 N ATOM 1264 CA LEU A 94 -1.421 1.415 -3.066 1.00 0.00 C ATOM 1265 C LEU A 94 -1.891 0.214 -3.813 1.00 0.00 C ATOM 1266 O LEU A 94 -3.094 0.017 -3.977 1.00 0.00 O ATOM 1267 CB LEU A 94 -2.006 1.293 -1.650 1.00 0.00 C ATOM 1268 CG LEU A 94 -1.453 2.335 -0.662 1.00 0.00 C ATOM 1269 CD1 LEU A 94 -2.450 2.587 0.482 1.00 0.00 C ATOM 1270 CD2 LEU A 94 -0.056 1.920 -0.170 1.00 0.00 C ATOM 0 H LEU A 94 -2.615 3.056 -3.473 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.336 1.472 -2.975 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.090 1.395 -1.704 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.799 0.294 -1.265 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.332 3.289 -1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.037 3.327 1.168 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.389 2.957 0.071 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.631 1.656 1.019 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.321 2.668 0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.119 0.954 0.332 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.621 1.844 -1.020 1.00 0.00 H new ATOM 1282 N LEU A 95 -0.973 -0.654 -4.274 1.00 0.00 N ATOM 1283 CA LEU A 95 -1.332 -1.901 -4.874 1.00 0.00 C ATOM 1284 C LEU A 95 -1.466 -2.912 -3.787 1.00 0.00 C ATOM 1285 O LEU A 95 -0.487 -3.495 -3.327 1.00 0.00 O ATOM 1286 CB LEU A 95 -0.290 -2.325 -5.923 1.00 0.00 C ATOM 1287 CG LEU A 95 -0.864 -3.064 -7.143 1.00 0.00 C ATOM 1288 CD1 LEU A 95 0.287 -3.679 -7.960 1.00 0.00 C ATOM 1289 CD2 LEU A 95 -1.907 -4.133 -6.778 1.00 0.00 C ATOM 0 H LEU A 95 0.032 -0.488 -4.230 1.00 0.00 H new ATOM 0 HA LEU A 95 -2.281 -1.809 -5.402 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.238 -1.436 -6.270 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.448 -2.967 -5.442 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.396 -2.326 -7.744 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.120 -4.203 -8.825 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.957 -2.888 -8.297 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.840 -4.382 -7.337 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.269 -4.614 -7.687 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.450 -4.881 -6.129 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.742 -3.664 -6.258 1.00 0.00 H new ATOM 1301 N LEU A 96 -2.716 -3.096 -3.324 1.00 0.00 N ATOM 1302 CA LEU A 96 -3.127 -4.014 -2.308 1.00 0.00 C ATOM 1303 C LEU A 96 -3.655 -5.269 -2.914 1.00 0.00 C ATOM 1304 O LEU A 96 -4.212 -5.258 -4.011 1.00 0.00 O ATOM 1305 CB LEU A 96 -4.259 -3.425 -1.450 1.00 0.00 C ATOM 1306 CG LEU A 96 -3.822 -2.327 -0.465 1.00 0.00 C ATOM 1307 CD1 LEU A 96 -4.554 -1.002 -0.741 1.00 0.00 C ATOM 1308 CD2 LEU A 96 -4.110 -2.796 0.971 1.00 0.00 C ATOM 0 H LEU A 96 -3.501 -2.558 -3.691 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.248 -4.214 -1.696 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.022 -3.016 -2.112 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.726 -4.233 -0.887 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.754 -2.149 -0.594 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.222 -0.248 -0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.330 -0.667 -1.754 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.629 -1.152 -0.637 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.803 -2.023 1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -5.177 -2.987 1.084 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.554 -3.712 1.173 1.00 0.00 H new ATOM 1320 N GLU A 97 -3.528 -6.401 -2.198 1.00 0.00 N ATOM 1321 CA GLU A 97 -4.242 -7.611 -2.462 1.00 0.00 C ATOM 1322 C GLU A 97 -4.950 -8.021 -1.216 1.00 0.00 C ATOM 1323 O GLU A 97 -4.449 -7.808 -0.113 1.00 0.00 O ATOM 1324 CB GLU A 97 -3.309 -8.760 -2.883 1.00 0.00 C ATOM 1325 CG GLU A 97 -4.018 -9.921 -3.584 1.00 0.00 C ATOM 1326 CD GLU A 97 -3.141 -11.158 -3.709 1.00 0.00 C ATOM 1327 OE1 GLU A 97 -2.777 -11.720 -2.643 1.00 0.00 O ATOM 1328 OE2 GLU A 97 -2.884 -11.643 -4.844 1.00 0.00 O ATOM 0 H GLU A 97 -2.899 -6.475 -1.399 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.934 -7.419 -3.282 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.541 -8.364 -3.547 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.799 -9.142 -1.998 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.922 -10.176 -3.031 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.332 -9.602 -4.578 1.00 0.00 H new ATOM 1335 N LYS A 98 -6.126 -8.659 -1.352 1.00 0.00 N ATOM 1336 CA LYS A 98 -6.862 -9.290 -0.301 1.00 0.00 C ATOM 1337 C LYS A 98 -6.061 -10.220 0.542 1.00 0.00 C ATOM 1338 O LYS A 98 -5.539 -11.228 0.068 1.00 0.00 O ATOM 1339 CB LYS A 98 -8.021 -10.097 -0.911 1.00 0.00 C ATOM 1340 CG LYS A 98 -9.270 -9.267 -1.211 1.00 0.00 C ATOM 1341 CD LYS A 98 -10.130 -9.112 0.044 1.00 0.00 C ATOM 1342 CE LYS A 98 -11.380 -8.239 -0.088 1.00 0.00 C ATOM 1343 NZ LYS A 98 -11.008 -6.809 -0.182 1.00 0.00 N ATOM 0 H LYS A 98 -6.592 -8.739 -2.256 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.204 -8.481 0.345 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -7.678 -10.564 -1.834 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.289 -10.902 -0.227 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.979 -8.284 -1.582 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.851 -9.746 -1.999 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.440 -10.105 0.370 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -9.506 -8.697 0.836 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -11.944 -8.533 -0.973 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -12.032 -8.395 0.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.868 -6.232 -0.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.490 -6.528 0.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.404 -6.661 -1.016 1.00 0.00 H new ATOM 1357 N GLY A 99 -5.932 -9.927 1.848 1.00 0.00 N ATOM 1358 CA GLY A 99 -5.198 -10.727 2.780 1.00 0.00 C ATOM 1359 C GLY A 99 -5.995 -11.857 3.334 1.00 0.00 C ATOM 1360 O GLY A 99 -6.356 -11.858 4.510 1.00 0.00 O ATOM 0 H GLY A 99 -6.355 -9.101 2.272 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.309 -11.123 2.289 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -4.854 -10.096 3.600 1.00 0.00 H new ATOM 1364 N GLN A 100 -6.289 -12.871 2.503 1.00 0.00 N ATOM 1365 CA GLN A 100 -7.003 -14.051 2.881 1.00 0.00 C ATOM 1366 C GLN A 100 -6.209 -15.267 2.548 1.00 0.00 C ATOM 1367 O GLN A 100 -5.319 -15.247 1.698 1.00 0.00 O ATOM 1368 CB GLN A 100 -8.367 -14.144 2.175 1.00 0.00 C ATOM 1369 CG GLN A 100 -9.387 -13.109 2.654 1.00 0.00 C ATOM 1370 CD GLN A 100 -9.794 -13.345 4.101 1.00 0.00 C ATOM 1371 OE1 GLN A 100 -9.636 -14.426 4.668 1.00 0.00 O ATOM 1372 NE2 GLN A 100 -10.360 -12.286 4.738 1.00 0.00 N ATOM 0 H GLN A 100 -6.016 -12.869 1.520 1.00 0.00 H new ATOM 0 HA GLN A 100 -7.169 -13.993 3.957 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -8.218 -14.023 1.102 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -8.777 -15.142 2.329 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -8.965 -12.109 2.554 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -10.271 -13.147 2.017 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -10.480 -11.400 4.247 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -10.664 -12.377 5.707 1.00 0.00 H new ATOM 1381 N VAL A 101 -6.520 -16.393 3.213 1.00 0.00 N ATOM 1382 CA VAL A 101 -6.043 -17.694 2.858 1.00 0.00 C ATOM 1383 C VAL A 101 -6.911 -18.276 1.796 1.00 0.00 C ATOM 1384 O VAL A 101 -8.107 -17.994 1.817 1.00 0.00 O ATOM 1385 CB VAL A 101 -5.939 -18.568 4.073 1.00 0.00 C ATOM 1386 CG1 VAL A 101 -7.313 -18.923 4.666 1.00 0.00 C ATOM 1387 CG2 VAL A 101 -5.118 -19.838 3.793 1.00 0.00 C ATOM 0 H VAL A 101 -7.129 -16.398 4.032 1.00 0.00 H new ATOM 0 HA VAL A 101 -5.036 -17.618 2.447 1.00 0.00 H new ATOM 0 HB VAL A 101 -5.408 -17.982 4.823 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -7.178 -19.557 5.543 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -7.832 -18.009 4.955 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -7.904 -19.455 3.921 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -5.066 -20.444 4.697 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -5.595 -20.412 2.998 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -4.110 -19.559 3.485 1.00 0.00 H new ATOM 1397 N PRO A 102 -6.456 -19.016 0.828 1.00 0.00 N ATOM 1398 CA PRO A 102 -7.323 -19.628 -0.135 1.00 0.00 C ATOM 1399 C PRO A 102 -8.236 -20.671 0.415 1.00 0.00 C ATOM 1400 O PRO A 102 -9.384 -20.799 -0.088 1.00 0.00 O ATOM 1401 CB PRO A 102 -6.379 -20.279 -1.144 1.00 0.00 C ATOM 1402 CG PRO A 102 -5.145 -19.363 -1.114 1.00 0.00 C ATOM 1403 CD PRO A 102 -5.073 -18.993 0.375 1.00 0.00 C ATOM 1404 OXT PRO A 102 -7.826 -21.440 1.324 1.00 0.00 O ATOM 0 HA PRO A 102 -7.987 -18.869 -0.548 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.129 -21.301 -0.860 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -6.822 -20.325 -2.139 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.245 -19.876 -1.453 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -5.270 -18.486 -1.749 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.462 -19.704 0.931 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.626 -18.009 0.518 1.00 0.00 H new TER 1412 PRO A 102 ATOM 1413 N TYR B 205 10.741 -0.258 15.934 1.00 0.00 N ATOM 1414 CA TYR B 205 9.863 -1.026 16.760 1.00 0.00 C ATOM 1415 C TYR B 205 8.730 -1.605 15.985 1.00 0.00 C ATOM 1416 O TYR B 205 7.715 -1.998 16.557 1.00 0.00 O ATOM 1417 CB TYR B 205 9.422 -0.272 18.026 1.00 0.00 C ATOM 1418 CG TYR B 205 8.640 0.990 17.904 1.00 0.00 C ATOM 1419 CD1 TYR B 205 8.190 1.545 16.729 1.00 0.00 C ATOM 1420 CD2 TYR B 205 8.342 1.630 19.085 1.00 0.00 C ATOM 1421 CE1 TYR B 205 7.460 2.709 16.730 1.00 0.00 C ATOM 1422 CE2 TYR B 205 7.611 2.794 19.103 1.00 0.00 C ATOM 1423 CZ TYR B 205 7.171 3.336 17.919 1.00 0.00 C ATOM 1424 OH TYR B 205 6.424 4.534 17.914 1.00 0.00 O ATOM 0 HA TYR B 205 10.439 -1.876 17.126 1.00 0.00 H new ATOM 0 HB2 TYR B 205 8.831 -0.964 18.626 1.00 0.00 H new ATOM 0 HB3 TYR B 205 10.322 -0.043 18.597 1.00 0.00 H new ATOM 0 HD1 TYR B 205 8.414 1.058 15.791 1.00 0.00 H new ATOM 0 HD2 TYR B 205 8.690 1.209 20.017 1.00 0.00 H new ATOM 0 HE1 TYR B 205 7.114 3.131 15.798 1.00 0.00 H new ATOM 0 HE2 TYR B 205 7.384 3.279 20.041 1.00 0.00 H new ATOM 0 HH TYR B 205 6.305 4.849 18.834 1.00 0.00 H new ATOM 1434 N LEU B 206 8.906 -1.682 14.653 1.00 0.00 N ATOM 1435 CA LEU B 206 7.964 -2.091 13.658 1.00 0.00 C ATOM 1436 C LEU B 206 7.023 -0.969 13.378 1.00 0.00 C ATOM 1437 O LEU B 206 7.423 0.194 13.423 1.00 0.00 O ATOM 1438 CB LEU B 206 7.297 -3.443 13.966 1.00 0.00 C ATOM 1439 CG LEU B 206 6.607 -4.232 12.842 1.00 0.00 C ATOM 1440 CD1 LEU B 206 7.565 -4.559 11.685 1.00 0.00 C ATOM 1441 CD2 LEU B 206 6.086 -5.545 13.450 1.00 0.00 C ATOM 0 H LEU B 206 9.801 -1.431 14.233 1.00 0.00 H new ATOM 0 HA LEU B 206 8.496 -2.301 12.730 1.00 0.00 H new ATOM 0 HB2 LEU B 206 8.061 -4.091 14.396 1.00 0.00 H new ATOM 0 HB3 LEU B 206 6.553 -3.268 14.743 1.00 0.00 H new ATOM 0 HG LEU B 206 5.801 -3.624 12.431 1.00 0.00 H new ATOM 0 HD11 LEU B 206 7.030 -5.117 10.916 1.00 0.00 H new ATOM 0 HD12 LEU B 206 7.951 -3.633 11.259 1.00 0.00 H new ATOM 0 HD13 LEU B 206 8.395 -5.160 12.058 1.00 0.00 H new ATOM 0 HD21 LEU B 206 5.589 -6.132 12.677 1.00 0.00 H new ATOM 0 HD22 LEU B 206 6.922 -6.114 13.857 1.00 0.00 H new ATOM 0 HD23 LEU B 206 5.378 -5.321 14.247 1.00 0.00 H new ATOM 1453 N VAL B 207 5.756 -1.270 13.042 1.00 0.00 N ATOM 1454 CA VAL B 207 4.565 -0.479 13.073 1.00 0.00 C ATOM 1455 C VAL B 207 4.719 1.003 13.059 1.00 0.00 C ATOM 1456 O VAL B 207 4.669 1.719 14.057 1.00 0.00 O ATOM 1457 CB VAL B 207 3.552 -0.976 14.061 1.00 0.00 C ATOM 1458 CG1 VAL B 207 2.943 -2.262 13.478 1.00 0.00 C ATOM 1459 CG2 VAL B 207 4.178 -1.198 15.448 1.00 0.00 C ATOM 0 H VAL B 207 5.543 -2.207 12.699 1.00 0.00 H new ATOM 0 HA VAL B 207 4.152 -0.653 12.079 1.00 0.00 H new ATOM 0 HB VAL B 207 2.768 -0.235 14.216 1.00 0.00 H new ATOM 0 HG11 VAL B 207 2.198 -2.657 14.169 1.00 0.00 H new ATOM 0 HG12 VAL B 207 2.469 -2.039 12.522 1.00 0.00 H new ATOM 0 HG13 VAL B 207 3.729 -3.002 13.330 1.00 0.00 H new ATOM 0 HG21 VAL B 207 3.415 -1.558 16.138 1.00 0.00 H new ATOM 0 HG22 VAL B 207 4.977 -1.936 15.373 1.00 0.00 H new ATOM 0 HG23 VAL B 207 4.587 -0.258 15.817 1.00 0.00 H new ATOM 1469 N THR B 208 4.937 1.501 11.829 1.00 0.00 N ATOM 1470 CA THR B 208 5.327 2.850 11.559 1.00 0.00 C ATOM 1471 C THR B 208 4.202 3.363 10.727 1.00 0.00 C ATOM 1472 O THR B 208 3.901 2.763 9.697 1.00 0.00 O ATOM 1473 CB THR B 208 6.593 2.957 10.762 1.00 0.00 C ATOM 1474 OG1 THR B 208 7.653 2.246 11.386 1.00 0.00 O ATOM 1475 CG2 THR B 208 7.039 4.419 10.597 1.00 0.00 C ATOM 0 H THR B 208 4.837 0.938 10.985 1.00 0.00 H new ATOM 0 HA THR B 208 5.516 3.393 12.485 1.00 0.00 H new ATOM 0 HB THR B 208 6.375 2.527 9.784 1.00 0.00 H new ATOM 0 HG1 THR B 208 7.299 1.721 12.134 1.00 0.00 H new ATOM 0 HG21 THR B 208 7.959 4.455 10.014 1.00 0.00 H new ATOM 0 HG22 THR B 208 6.260 4.981 10.081 1.00 0.00 H new ATOM 0 HG23 THR B 208 7.214 4.859 11.579 1.00 0.00 H new ATOM 1483 N SER B 209 3.540 4.438 11.193 1.00 0.00 N ATOM 1484 CA SER B 209 2.449 5.072 10.522 1.00 0.00 C ATOM 1485 C SER B 209 2.949 5.953 9.430 1.00 0.00 C ATOM 1486 O SER B 209 3.862 6.759 9.605 1.00 0.00 O ATOM 1487 CB SER B 209 1.483 5.812 11.462 1.00 0.00 C ATOM 1488 OG SER B 209 2.159 6.683 12.356 1.00 0.00 O ATOM 0 H SER B 209 3.777 4.885 12.079 1.00 0.00 H new ATOM 0 HA SER B 209 1.852 4.274 10.081 1.00 0.00 H new ATOM 0 HB2 SER B 209 0.771 6.386 10.869 1.00 0.00 H new ATOM 0 HB3 SER B 209 0.908 5.084 12.034 1.00 0.00 H new ATOM 0 HG SER B 209 1.506 7.132 12.932 1.00 0.00 H new ATOM 1494 N VAL B 210 2.402 5.761 8.216 1.00 0.00 N ATOM 1495 CA VAL B 210 3.009 6.193 6.995 1.00 0.00 C ATOM 1496 C VAL B 210 1.866 6.205 5.990 1.00 0.00 C ATOM 1497 O VAL B 210 0.767 5.655 6.270 1.00 0.00 O ATOM 1498 CB VAL B 210 4.142 5.292 6.599 1.00 0.00 C ATOM 1499 CG1 VAL B 210 3.671 3.859 6.296 1.00 0.00 C ATOM 1500 CG2 VAL B 210 4.919 5.893 5.415 1.00 0.00 C ATOM 1501 OXT VAL B 210 2.033 6.883 4.942 1.00 0.00 O ATOM 0 H VAL B 210 1.508 5.290 8.080 1.00 0.00 H new ATOM 0 HA VAL B 210 3.471 7.177 7.073 1.00 0.00 H new ATOM 0 HB VAL B 210 4.817 5.220 7.452 1.00 0.00 H new ATOM 0 HG11 VAL B 210 4.527 3.246 6.014 1.00 0.00 H new ATOM 0 HG12 VAL B 210 3.198 3.436 7.183 1.00 0.00 H new ATOM 0 HG13 VAL B 210 2.953 3.878 5.476 1.00 0.00 H new ATOM 0 HG21 VAL B 210 5.737 5.227 5.141 1.00 0.00 H new ATOM 0 HG22 VAL B 210 4.249 6.014 4.564 1.00 0.00 H new ATOM 0 HG23 VAL B 210 5.322 6.865 5.700 1.00 0.00 H new TER 1511 VAL B 210