USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=23 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 78 HIS : no HE2:sc= 0.696 K(o=1.8,f=-7.6!) USER MOD Set 1.2: B 208 THR OG1 : rot 113:sc= 1.12 USER MOD Single : A 8 MET CE :methyl 163:sc= -0.0209 (180deg=-0.371) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -138:sc= 1.28 (180deg=-1.22) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 4:sc= 0.528 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.214 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 114:sc= 0.915 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.0099) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0772) USER MOD Single : A 55 SER OG : rot -39:sc= 0.00191 USER MOD Single : A 60 HIS : no HD1:sc= -0.186 X(o=-0.19,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.0793 K(o=-0.079,f=-1.5!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.243 USER MOD Single : A 79 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0322) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot 77:sc= 1.2 USER MOD Single : A 87 ASN : amide:sc= -0.036 X(o=-0.036,f=-0.051) USER MOD Single : A 88 THR OG1 : rot -114:sc= 0.83 USER MOD Single : A 90 GLN : amide:sc= -0.0321 K(o=-0.032,f=-1.1) USER MOD Single : A 93 HIS :FLIP no HD1:sc= -0.0776 F(o=-1,f=-0.078) USER MOD Single : A 98 LYS NZ :NH3+ -169:sc= 1.19 (180deg=0.844) USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : B 205 TYR OH : rot 180:sc= 0 USER MOD Single : B 209 SER OG : rot 29:sc= 0.0654 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 8 -15.115 -10.263 -1.351 1.00 0.00 N ATOM 2 CA MET A 8 -14.934 -11.501 -0.659 1.00 0.00 C ATOM 3 C MET A 8 -14.590 -12.580 -1.627 1.00 0.00 C ATOM 4 O MET A 8 -15.304 -13.570 -1.779 1.00 0.00 O ATOM 5 CB MET A 8 -16.174 -11.831 0.189 1.00 0.00 C ATOM 6 CG MET A 8 -15.961 -12.906 1.257 1.00 0.00 C ATOM 7 SD MET A 8 -17.426 -13.198 2.293 1.00 0.00 S ATOM 8 CE MET A 8 -18.401 -14.071 1.034 1.00 0.00 C ATOM 0 HA MET A 8 -14.098 -11.414 0.035 1.00 0.00 H new ATOM 0 HB2 MET A 8 -16.515 -10.918 0.677 1.00 0.00 H new ATOM 0 HB3 MET A 8 -16.975 -12.155 -0.476 1.00 0.00 H new ATOM 0 HG2 MET A 8 -15.678 -13.839 0.770 1.00 0.00 H new ATOM 0 HG3 MET A 8 -15.127 -12.613 1.895 1.00 0.00 H new ATOM 0 HE1 MET A 8 -19.216 -14.612 1.515 1.00 0.00 H new ATOM 0 HE2 MET A 8 -18.811 -13.350 0.327 1.00 0.00 H new ATOM 0 HE3 MET A 8 -17.762 -14.776 0.503 1.00 0.00 H new ATOM 18 N LYS A 9 -13.463 -12.433 -2.346 1.00 0.00 N ATOM 19 CA LYS A 9 -13.018 -13.377 -3.324 1.00 0.00 C ATOM 20 C LYS A 9 -11.539 -13.526 -3.213 1.00 0.00 C ATOM 21 O LYS A 9 -10.876 -12.543 -2.888 1.00 0.00 O ATOM 22 CB LYS A 9 -13.363 -12.916 -4.750 1.00 0.00 C ATOM 23 CG LYS A 9 -14.846 -13.084 -5.088 1.00 0.00 C ATOM 24 CD LYS A 9 -15.232 -12.638 -6.500 1.00 0.00 C ATOM 25 CE LYS A 9 -15.230 -11.117 -6.667 1.00 0.00 C ATOM 26 NZ LYS A 9 -15.814 -10.725 -7.968 1.00 0.00 N ATOM 0 H LYS A 9 -12.841 -11.631 -2.244 1.00 0.00 H new ATOM 0 HA LYS A 9 -13.522 -14.325 -3.138 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -13.086 -11.868 -4.865 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -12.766 -13.483 -5.464 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -15.116 -14.133 -4.966 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -15.436 -12.517 -4.368 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -14.538 -13.078 -7.217 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -16.223 -13.023 -6.739 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -15.797 -10.658 -5.857 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -14.209 -10.741 -6.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -15.801 -9.689 -8.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -15.257 -11.145 -8.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -16.795 -11.065 -8.025 1.00 0.00 H new ATOM 40 N PRO A 10 -10.927 -14.647 -3.454 1.00 0.00 N ATOM 41 CA PRO A 10 -9.501 -14.727 -3.577 1.00 0.00 C ATOM 42 C PRO A 10 -9.030 -14.171 -4.877 1.00 0.00 C ATOM 43 O PRO A 10 -9.819 -13.976 -5.800 1.00 0.00 O ATOM 44 CB PRO A 10 -9.204 -16.220 -3.469 1.00 0.00 C ATOM 45 CG PRO A 10 -10.448 -16.897 -4.063 1.00 0.00 C ATOM 46 CD PRO A 10 -11.573 -15.937 -3.641 1.00 0.00 C ATOM 0 HA PRO A 10 -8.986 -14.142 -2.815 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.303 -16.488 -4.021 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -9.044 -16.520 -2.433 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.381 -16.994 -5.147 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.597 -17.900 -3.662 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -12.349 -15.881 -4.404 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -12.053 -16.273 -2.722 1.00 0.00 H new ATOM 54 N GLY A 11 -7.722 -13.871 -4.977 1.00 0.00 N ATOM 55 CA GLY A 11 -7.106 -13.279 -6.124 1.00 0.00 C ATOM 56 C GLY A 11 -7.529 -11.883 -6.426 1.00 0.00 C ATOM 57 O GLY A 11 -7.562 -11.481 -7.588 1.00 0.00 O ATOM 0 H GLY A 11 -7.062 -14.050 -4.220 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.025 -13.291 -5.982 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.320 -13.902 -6.993 1.00 0.00 H new ATOM 61 N ASP A 12 -7.888 -11.082 -5.406 1.00 0.00 N ATOM 62 CA ASP A 12 -8.408 -9.764 -5.596 1.00 0.00 C ATOM 63 C ASP A 12 -7.399 -8.737 -5.212 1.00 0.00 C ATOM 64 O ASP A 12 -6.765 -8.818 -4.161 1.00 0.00 O ATOM 65 CB ASP A 12 -9.730 -9.631 -4.822 1.00 0.00 C ATOM 66 CG ASP A 12 -10.646 -8.631 -5.513 1.00 0.00 C ATOM 67 OD1 ASP A 12 -10.373 -7.402 -5.449 1.00 0.00 O ATOM 68 OD2 ASP A 12 -11.648 -9.063 -6.142 1.00 0.00 O ATOM 0 H ASP A 12 -7.815 -11.357 -4.427 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.622 -9.591 -6.651 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.222 -10.602 -4.758 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.531 -9.307 -3.801 1.00 0.00 H new ATOM 73 N THR A 13 -7.184 -7.744 -6.094 1.00 0.00 N ATOM 74 CA THR A 13 -6.279 -6.648 -5.928 1.00 0.00 C ATOM 75 C THR A 13 -7.002 -5.356 -6.094 1.00 0.00 C ATOM 76 O THR A 13 -7.755 -5.155 -7.045 1.00 0.00 O ATOM 77 CB THR A 13 -5.136 -6.623 -6.898 1.00 0.00 C ATOM 78 OG1 THR A 13 -5.497 -7.188 -8.150 1.00 0.00 O ATOM 79 CG2 THR A 13 -3.975 -7.461 -6.340 1.00 0.00 C ATOM 0 H THR A 13 -7.678 -7.705 -6.986 1.00 0.00 H new ATOM 0 HA THR A 13 -5.872 -6.783 -4.926 1.00 0.00 H new ATOM 0 HB THR A 13 -4.852 -5.580 -7.038 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.729 -7.154 -8.758 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.143 -7.444 -7.044 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.652 -7.045 -5.386 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.306 -8.489 -6.194 1.00 0.00 H new ATOM 87 N PHE A 14 -6.761 -4.402 -5.178 1.00 0.00 N ATOM 88 CA PHE A 14 -7.270 -3.067 -5.232 1.00 0.00 C ATOM 89 C PHE A 14 -6.134 -2.119 -5.414 1.00 0.00 C ATOM 90 O PHE A 14 -5.247 -2.022 -4.568 1.00 0.00 O ATOM 91 CB PHE A 14 -8.193 -2.582 -4.101 1.00 0.00 C ATOM 92 CG PHE A 14 -7.938 -2.970 -2.686 1.00 0.00 C ATOM 93 CD1 PHE A 14 -7.724 -4.271 -2.294 1.00 0.00 C ATOM 94 CD2 PHE A 14 -8.065 -2.020 -1.699 1.00 0.00 C ATOM 95 CE1 PHE A 14 -7.519 -4.601 -0.974 1.00 0.00 C ATOM 96 CE2 PHE A 14 -7.837 -2.325 -0.378 1.00 0.00 C ATOM 97 CZ PHE A 14 -7.553 -3.620 -0.013 1.00 0.00 C ATOM 0 H PHE A 14 -6.180 -4.571 -4.357 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.949 -3.090 -6.085 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.198 -1.493 -4.138 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.202 -2.914 -4.347 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.717 -5.052 -3.040 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.350 -1.013 -1.968 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.332 -5.627 -0.695 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.881 -1.549 0.372 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.358 -3.864 1.021 1.00 0.00 H new ATOM 107 N GLU A 15 -6.115 -1.370 -6.531 1.00 0.00 N ATOM 108 CA GLU A 15 -5.189 -0.298 -6.730 1.00 0.00 C ATOM 109 C GLU A 15 -5.804 0.993 -6.313 1.00 0.00 C ATOM 110 O GLU A 15 -6.523 1.664 -7.053 1.00 0.00 O ATOM 111 CB GLU A 15 -4.616 -0.223 -8.155 1.00 0.00 C ATOM 112 CG GLU A 15 -4.601 -1.543 -8.929 1.00 0.00 C ATOM 113 CD GLU A 15 -5.806 -1.645 -9.852 1.00 0.00 C ATOM 114 OE1 GLU A 15 -6.943 -1.908 -9.377 1.00 0.00 O ATOM 115 OE2 GLU A 15 -5.615 -1.418 -11.076 1.00 0.00 O ATOM 0 H GLU A 15 -6.756 -1.512 -7.312 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.328 -0.506 -6.094 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.196 0.505 -8.723 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.596 0.156 -8.098 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.683 -1.616 -9.513 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.602 -2.379 -8.230 1.00 0.00 H new ATOM 122 N VAL A 16 -5.584 1.363 -5.038 1.00 0.00 N ATOM 123 CA VAL A 16 -6.104 2.527 -4.393 1.00 0.00 C ATOM 124 C VAL A 16 -5.210 3.710 -4.546 1.00 0.00 C ATOM 125 O VAL A 16 -4.036 3.627 -4.186 1.00 0.00 O ATOM 126 CB VAL A 16 -6.178 2.240 -2.922 1.00 0.00 C ATOM 127 CG1 VAL A 16 -6.861 3.407 -2.191 1.00 0.00 C ATOM 128 CG2 VAL A 16 -6.949 0.926 -2.707 1.00 0.00 C ATOM 0 H VAL A 16 -5.000 0.806 -4.414 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.071 2.752 -4.844 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.173 2.132 -2.513 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.910 3.189 -1.124 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.288 4.321 -2.349 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.870 3.540 -2.581 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.008 0.709 -1.640 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.956 1.024 -3.114 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.430 0.113 -3.215 1.00 0.00 H new ATOM 138 N GLU A 17 -5.670 4.888 -5.005 1.00 0.00 N ATOM 139 CA GLU A 17 -4.851 6.058 -5.058 1.00 0.00 C ATOM 140 C GLU A 17 -5.280 7.035 -4.018 1.00 0.00 C ATOM 141 O GLU A 17 -6.434 7.444 -3.903 1.00 0.00 O ATOM 142 CB GLU A 17 -4.654 6.627 -6.474 1.00 0.00 C ATOM 143 CG GLU A 17 -4.678 8.142 -6.689 1.00 0.00 C ATOM 144 CD GLU A 17 -6.028 8.678 -7.145 1.00 0.00 C ATOM 145 OE1 GLU A 17 -7.095 8.065 -6.872 1.00 0.00 O ATOM 146 OE2 GLU A 17 -6.031 9.727 -7.842 1.00 0.00 O ATOM 0 H GLU A 17 -6.622 5.030 -5.343 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.832 5.770 -4.800 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.696 6.260 -6.843 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.427 6.195 -7.110 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.397 8.636 -5.759 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.924 8.406 -7.430 1.00 0.00 H new ATOM 153 N LEU A 18 -4.316 7.390 -3.150 1.00 0.00 N ATOM 154 CA LEU A 18 -4.525 8.207 -1.995 1.00 0.00 C ATOM 155 C LEU A 18 -3.579 9.358 -2.037 1.00 0.00 C ATOM 156 O LEU A 18 -2.513 9.291 -2.646 1.00 0.00 O ATOM 157 CB LEU A 18 -4.193 7.421 -0.715 1.00 0.00 C ATOM 158 CG LEU A 18 -4.968 6.100 -0.577 1.00 0.00 C ATOM 159 CD1 LEU A 18 -4.369 5.283 0.579 1.00 0.00 C ATOM 160 CD2 LEU A 18 -6.486 6.321 -0.466 1.00 0.00 C ATOM 0 H LEU A 18 -3.346 7.094 -3.259 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.566 8.531 -1.991 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.124 7.207 -0.698 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.406 8.048 0.151 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.852 5.515 -1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.914 4.345 0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.320 5.072 0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.447 5.852 1.505 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.988 5.358 -0.371 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.702 6.931 0.411 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.846 6.831 -1.360 1.00 0.00 H new ATOM 172 N ALA A 19 -3.925 10.443 -1.322 1.00 0.00 N ATOM 173 CA ALA A 19 -2.994 11.475 -0.988 1.00 0.00 C ATOM 174 C ALA A 19 -2.855 11.494 0.496 1.00 0.00 C ATOM 175 O ALA A 19 -3.789 11.802 1.235 1.00 0.00 O ATOM 176 CB ALA A 19 -3.432 12.833 -1.561 1.00 0.00 C ATOM 0 H ALA A 19 -4.868 10.607 -0.970 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.021 11.274 -1.437 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.702 13.595 -1.289 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.498 12.765 -2.647 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.407 13.102 -1.154 1.00 0.00 H new ATOM 182 N LYS A 20 -1.663 11.134 1.004 1.00 0.00 N ATOM 183 CA LYS A 20 -1.317 11.153 2.392 1.00 0.00 C ATOM 184 C LYS A 20 -1.492 12.483 3.041 1.00 0.00 C ATOM 185 O LYS A 20 -1.067 13.521 2.536 1.00 0.00 O ATOM 186 CB LYS A 20 0.152 10.727 2.566 1.00 0.00 C ATOM 187 CG LYS A 20 1.052 11.313 1.475 1.00 0.00 C ATOM 188 CD LYS A 20 2.471 11.648 1.939 1.00 0.00 C ATOM 189 CE LYS A 20 3.348 10.418 2.181 1.00 0.00 C ATOM 190 NZ LYS A 20 4.591 10.828 2.872 1.00 0.00 N ATOM 0 H LYS A 20 -0.897 10.811 0.412 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.003 10.459 2.878 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.510 11.050 3.544 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.219 9.639 2.546 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.111 10.604 0.649 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.587 12.218 1.085 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.948 12.281 1.191 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.415 12.229 2.859 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.809 9.686 2.783 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.588 9.937 1.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.401 10.326 2.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.727 11.853 2.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.520 10.593 3.883 1.00 0.00 H new ATOM 204 N THR A 21 -2.139 12.510 4.219 1.00 0.00 N ATOM 205 CA THR A 21 -2.447 13.724 4.911 1.00 0.00 C ATOM 206 C THR A 21 -1.415 13.965 5.957 1.00 0.00 C ATOM 207 O THR A 21 -1.292 13.225 6.932 1.00 0.00 O ATOM 208 CB THR A 21 -3.865 13.781 5.399 1.00 0.00 C ATOM 209 OG1 THR A 21 -4.173 15.032 5.995 1.00 0.00 O ATOM 210 CG2 THR A 21 -4.226 12.668 6.397 1.00 0.00 C ATOM 0 H THR A 21 -2.456 11.670 4.702 1.00 0.00 H new ATOM 0 HA THR A 21 -2.400 14.558 4.211 1.00 0.00 H new ATOM 0 HB THR A 21 -4.462 13.636 4.499 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.105 15.029 6.298 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.266 12.777 6.703 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.087 11.696 5.924 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.581 12.741 7.273 1.00 0.00 H new ATOM 218 N ASP A 22 -0.574 14.993 5.744 1.00 0.00 N ATOM 219 CA ASP A 22 0.574 15.362 6.512 1.00 0.00 C ATOM 220 C ASP A 22 1.486 14.243 6.878 1.00 0.00 C ATOM 221 O ASP A 22 1.802 14.009 8.043 1.00 0.00 O ATOM 222 CB ASP A 22 0.212 16.209 7.744 1.00 0.00 C ATOM 223 CG ASP A 22 -0.351 17.583 7.413 1.00 0.00 C ATOM 224 OD1 ASP A 22 -0.477 17.964 6.218 1.00 0.00 O ATOM 225 OD2 ASP A 22 -0.633 18.329 8.388 1.00 0.00 O ATOM 0 H ASP A 22 -0.714 15.626 4.956 1.00 0.00 H new ATOM 0 HA ASP A 22 1.149 15.982 5.824 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.518 15.665 8.343 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.102 16.333 8.360 1.00 0.00 H new ATOM 230 N GLY A 23 1.965 13.489 5.871 1.00 0.00 N ATOM 231 CA GLY A 23 2.887 12.415 6.068 1.00 0.00 C ATOM 232 C GLY A 23 2.312 11.210 6.732 1.00 0.00 C ATOM 233 O GLY A 23 2.878 10.699 7.697 1.00 0.00 O ATOM 0 H GLY A 23 1.704 13.631 4.895 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.292 12.120 5.100 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.723 12.778 6.666 1.00 0.00 H new ATOM 237 N SER A 24 1.180 10.701 6.216 1.00 0.00 N ATOM 238 CA SER A 24 0.463 9.600 6.777 1.00 0.00 C ATOM 239 C SER A 24 -0.703 9.317 5.892 1.00 0.00 C ATOM 240 O SER A 24 -1.644 10.100 5.773 1.00 0.00 O ATOM 241 CB SER A 24 0.017 9.722 8.244 1.00 0.00 C ATOM 242 OG SER A 24 -0.587 10.967 8.562 1.00 0.00 O ATOM 0 H SER A 24 0.746 11.073 5.371 1.00 0.00 H new ATOM 0 HA SER A 24 1.175 8.776 6.818 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.687 8.921 8.467 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.883 9.574 8.890 1.00 0.00 H new ATOM 0 HG SER A 24 -0.663 11.511 7.750 1.00 0.00 H new ATOM 248 N LEU A 25 -0.655 8.158 5.213 1.00 0.00 N ATOM 249 CA LEU A 25 -1.725 7.515 4.515 1.00 0.00 C ATOM 250 C LEU A 25 -2.736 7.076 5.518 1.00 0.00 C ATOM 251 O LEU A 25 -3.924 7.388 5.470 1.00 0.00 O ATOM 252 CB LEU A 25 -1.169 6.239 3.860 1.00 0.00 C ATOM 253 CG LEU A 25 -0.017 6.464 2.866 1.00 0.00 C ATOM 254 CD1 LEU A 25 0.694 5.126 2.599 1.00 0.00 C ATOM 255 CD2 LEU A 25 -0.515 7.161 1.589 1.00 0.00 C ATOM 0 H LEU A 25 0.212 7.624 5.147 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.157 8.191 3.778 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.824 5.567 4.646 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.982 5.732 3.341 1.00 0.00 H new ATOM 0 HG LEU A 25 0.719 7.142 3.297 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.511 5.282 1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.092 4.732 3.534 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.016 4.414 2.178 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.321 7.307 0.905 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.273 6.542 1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.946 8.128 1.847 1.00 0.00 H new ATOM 267 N GLY A 26 -2.236 6.322 6.513 1.00 0.00 N ATOM 268 CA GLY A 26 -3.007 5.892 7.638 1.00 0.00 C ATOM 269 C GLY A 26 -2.799 4.446 7.935 1.00 0.00 C ATOM 270 O GLY A 26 -3.689 3.824 8.511 1.00 0.00 O ATOM 0 H GLY A 26 -1.268 6.002 6.536 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.736 6.485 8.512 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.064 6.074 7.445 1.00 0.00 H new ATOM 274 N ILE A 27 -1.630 3.891 7.571 1.00 0.00 N ATOM 275 CA ILE A 27 -1.351 2.536 7.933 1.00 0.00 C ATOM 276 C ILE A 27 -0.050 2.428 8.653 1.00 0.00 C ATOM 277 O ILE A 27 0.942 3.071 8.317 1.00 0.00 O ATOM 278 CB ILE A 27 -1.487 1.560 6.803 1.00 0.00 C ATOM 279 CG1 ILE A 27 -0.494 1.852 5.666 1.00 0.00 C ATOM 280 CG2 ILE A 27 -2.945 1.587 6.315 1.00 0.00 C ATOM 281 CD1 ILE A 27 -0.670 1.053 4.375 1.00 0.00 C ATOM 0 H ILE A 27 -0.897 4.363 7.042 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.133 2.237 8.631 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.240 0.559 7.157 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.560 2.912 5.421 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.514 1.674 6.041 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.066 0.883 5.492 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.608 1.306 7.133 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.196 2.591 5.974 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.091 1.353 3.655 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.568 -0.011 4.589 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.659 1.247 3.959 1.00 0.00 H new ATOM 293 N SER A 28 -0.064 1.607 9.719 1.00 0.00 N ATOM 294 CA SER A 28 1.084 1.086 10.393 1.00 0.00 C ATOM 295 C SER A 28 1.563 -0.178 9.766 1.00 0.00 C ATOM 296 O SER A 28 0.852 -1.181 9.727 1.00 0.00 O ATOM 297 CB SER A 28 0.889 0.707 11.871 1.00 0.00 C ATOM 298 OG SER A 28 0.702 1.885 12.642 1.00 0.00 O ATOM 0 H SER A 28 -0.937 1.286 10.137 1.00 0.00 H new ATOM 0 HA SER A 28 1.780 1.921 10.315 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.027 0.049 11.978 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.757 0.156 12.234 1.00 0.00 H new ATOM 0 HG SER A 28 0.576 1.643 13.583 1.00 0.00 H new ATOM 304 N VAL A 29 2.818 -0.169 9.284 1.00 0.00 N ATOM 305 CA VAL A 29 3.363 -1.276 8.563 1.00 0.00 C ATOM 306 C VAL A 29 3.951 -2.380 9.372 1.00 0.00 C ATOM 307 O VAL A 29 4.623 -2.175 10.381 1.00 0.00 O ATOM 308 CB VAL A 29 4.351 -0.794 7.544 1.00 0.00 C ATOM 309 CG1 VAL A 29 3.574 0.000 6.480 1.00 0.00 C ATOM 310 CG2 VAL A 29 5.459 0.038 8.211 1.00 0.00 C ATOM 0 H VAL A 29 3.461 0.614 9.396 1.00 0.00 H new ATOM 0 HA VAL A 29 2.495 -1.734 8.088 1.00 0.00 H new ATOM 0 HB VAL A 29 4.856 -1.632 7.064 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.266 0.366 5.722 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.832 -0.648 6.012 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.072 0.845 6.951 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.165 0.378 7.453 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.017 0.901 8.708 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.982 -0.575 8.945 1.00 0.00 H new ATOM 320 N THR A 30 3.727 -3.637 8.948 1.00 0.00 N ATOM 321 CA THR A 30 4.300 -4.831 9.488 1.00 0.00 C ATOM 322 C THR A 30 4.647 -5.758 8.374 1.00 0.00 C ATOM 323 O THR A 30 4.420 -5.472 7.199 1.00 0.00 O ATOM 324 CB THR A 30 3.419 -5.500 10.502 1.00 0.00 C ATOM 325 OG1 THR A 30 4.049 -6.570 11.191 1.00 0.00 O ATOM 326 CG2 THR A 30 2.129 -6.041 9.865 1.00 0.00 C ATOM 0 H THR A 30 3.098 -3.832 8.169 1.00 0.00 H new ATOM 0 HA THR A 30 5.205 -4.552 10.027 1.00 0.00 H new ATOM 0 HB THR A 30 3.191 -4.714 11.222 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.421 -6.959 11.836 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.517 -6.518 10.631 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.572 -5.218 9.416 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.381 -6.771 9.096 1.00 0.00 H new ATOM 334 N GLY A 31 5.234 -6.926 8.690 1.00 0.00 N ATOM 335 CA GLY A 31 5.629 -7.932 7.753 1.00 0.00 C ATOM 336 C GLY A 31 6.982 -7.694 7.175 1.00 0.00 C ATOM 337 O GLY A 31 7.985 -7.696 7.886 1.00 0.00 O ATOM 0 H GLY A 31 5.445 -7.183 9.654 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.617 -8.904 8.246 1.00 0.00 H new ATOM 0 HA3 GLY A 31 4.898 -7.975 6.946 1.00 0.00 H new ATOM 341 N GLY A 32 7.065 -7.507 5.845 1.00 0.00 N ATOM 342 CA GLY A 32 8.278 -7.196 5.157 1.00 0.00 C ATOM 343 C GLY A 32 9.058 -8.414 4.797 1.00 0.00 C ATOM 344 O GLY A 32 8.874 -9.478 5.383 1.00 0.00 O ATOM 0 H GLY A 32 6.257 -7.575 5.227 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.045 -6.637 4.251 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.891 -6.548 5.783 1.00 0.00 H new ATOM 348 N VAL A 33 10.008 -8.299 3.850 1.00 0.00 N ATOM 349 CA VAL A 33 10.828 -9.374 3.385 1.00 0.00 C ATOM 350 C VAL A 33 11.693 -9.990 4.430 1.00 0.00 C ATOM 351 O VAL A 33 12.140 -11.131 4.333 1.00 0.00 O ATOM 352 CB VAL A 33 11.642 -8.940 2.202 1.00 0.00 C ATOM 353 CG1 VAL A 33 12.862 -8.094 2.606 1.00 0.00 C ATOM 354 CG2 VAL A 33 12.077 -10.154 1.364 1.00 0.00 C ATOM 0 H VAL A 33 10.213 -7.413 3.387 1.00 0.00 H new ATOM 0 HA VAL A 33 10.137 -10.163 3.086 1.00 0.00 H new ATOM 0 HB VAL A 33 11.000 -8.304 1.593 1.00 0.00 H new ATOM 0 HG11 VAL A 33 13.417 -7.806 1.713 1.00 0.00 H new ATOM 0 HG12 VAL A 33 12.527 -7.199 3.129 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.508 -8.677 3.262 1.00 0.00 H new ATOM 0 HG21 VAL A 33 12.666 -9.815 0.512 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.679 -10.823 1.978 1.00 0.00 H new ATOM 0 HG23 VAL A 33 11.194 -10.685 1.007 1.00 0.00 H new ATOM 364 N ASN A 34 11.937 -9.252 5.529 1.00 0.00 N ATOM 365 CA ASN A 34 12.721 -9.668 6.651 1.00 0.00 C ATOM 366 C ASN A 34 12.022 -10.688 7.484 1.00 0.00 C ATOM 367 O ASN A 34 12.649 -11.474 8.193 1.00 0.00 O ATOM 368 CB ASN A 34 13.039 -8.407 7.471 1.00 0.00 C ATOM 369 CG ASN A 34 14.266 -8.552 8.361 1.00 0.00 C ATOM 370 OD1 ASN A 34 14.190 -8.890 9.541 1.00 0.00 O ATOM 371 ND2 ASN A 34 15.453 -8.234 7.780 1.00 0.00 N ATOM 0 H ASN A 34 11.564 -8.309 5.640 1.00 0.00 H new ATOM 0 HA ASN A 34 13.635 -10.150 6.304 1.00 0.00 H new ATOM 0 HB2 ASN A 34 13.191 -7.570 6.790 1.00 0.00 H new ATOM 0 HB3 ASN A 34 12.177 -8.160 8.092 1.00 0.00 H new ATOM 0 HD21 ASN A 34 16.314 -8.272 8.325 1.00 0.00 H new ATOM 0 HD22 ASN A 34 15.483 -7.957 6.799 1.00 0.00 H new ATOM 378 N THR A 35 10.682 -10.723 7.381 1.00 0.00 N ATOM 379 CA THR A 35 9.793 -11.671 7.976 1.00 0.00 C ATOM 380 C THR A 35 9.446 -12.643 6.902 1.00 0.00 C ATOM 381 O THR A 35 9.590 -12.353 5.715 1.00 0.00 O ATOM 382 CB THR A 35 8.560 -10.996 8.501 1.00 0.00 C ATOM 383 OG1 THR A 35 8.915 -9.927 9.365 1.00 0.00 O ATOM 384 CG2 THR A 35 7.668 -11.931 9.334 1.00 0.00 C ATOM 0 H THR A 35 10.178 -10.026 6.833 1.00 0.00 H new ATOM 0 HA THR A 35 10.260 -12.168 8.826 1.00 0.00 H new ATOM 0 HB THR A 35 8.017 -10.659 7.618 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.644 -9.076 8.961 1.00 0.00 H new ATOM 0 HG21 THR A 35 6.793 -11.383 9.684 1.00 0.00 H new ATOM 0 HG22 THR A 35 7.347 -12.771 8.719 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.230 -12.303 10.191 1.00 0.00 H new ATOM 392 N SER A 36 8.997 -13.872 7.217 1.00 0.00 N ATOM 393 CA SER A 36 8.695 -14.885 6.255 1.00 0.00 C ATOM 394 C SER A 36 7.386 -14.723 5.561 1.00 0.00 C ATOM 395 O SER A 36 6.452 -15.513 5.693 1.00 0.00 O ATOM 396 CB SER A 36 8.840 -16.305 6.826 1.00 0.00 C ATOM 397 OG SER A 36 8.164 -16.495 8.061 1.00 0.00 O ATOM 0 H SER A 36 8.839 -14.171 8.179 1.00 0.00 H new ATOM 0 HA SER A 36 9.455 -14.744 5.487 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.457 -17.021 6.098 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.899 -16.526 6.963 1.00 0.00 H new ATOM 0 HG SER A 36 8.295 -17.417 8.367 1.00 0.00 H new ATOM 403 N VAL A 37 7.292 -13.665 4.736 1.00 0.00 N ATOM 404 CA VAL A 37 6.196 -13.336 3.878 1.00 0.00 C ATOM 405 C VAL A 37 6.374 -13.971 2.541 1.00 0.00 C ATOM 406 O VAL A 37 7.145 -14.914 2.367 1.00 0.00 O ATOM 407 CB VAL A 37 6.044 -11.847 3.782 1.00 0.00 C ATOM 408 CG1 VAL A 37 5.779 -11.264 5.180 1.00 0.00 C ATOM 409 CG2 VAL A 37 7.275 -11.161 3.165 1.00 0.00 C ATOM 0 H VAL A 37 8.047 -12.983 4.664 1.00 0.00 H new ATOM 0 HA VAL A 37 5.274 -13.732 4.303 1.00 0.00 H new ATOM 0 HB VAL A 37 5.200 -11.653 3.120 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.669 -10.182 5.108 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.864 -11.696 5.587 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.616 -11.501 5.837 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.108 -10.085 3.121 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.152 -11.367 3.779 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.439 -11.544 2.158 1.00 0.00 H new ATOM 419 N ARG A 38 5.687 -13.483 1.494 1.00 0.00 N ATOM 420 CA ARG A 38 5.793 -13.960 0.149 1.00 0.00 C ATOM 421 C ARG A 38 6.970 -13.417 -0.585 1.00 0.00 C ATOM 422 O ARG A 38 6.858 -13.007 -1.739 1.00 0.00 O ATOM 423 CB ARG A 38 4.538 -13.544 -0.636 1.00 0.00 C ATOM 424 CG ARG A 38 3.208 -14.101 -0.126 1.00 0.00 C ATOM 425 CD ARG A 38 2.951 -15.562 -0.500 1.00 0.00 C ATOM 426 NE ARG A 38 1.575 -15.851 -0.006 1.00 0.00 N ATOM 427 CZ ARG A 38 0.903 -17.024 -0.192 1.00 0.00 C ATOM 428 NH1 ARG A 38 1.433 -18.089 -0.862 1.00 0.00 N ATOM 429 NH2 ARG A 38 -0.355 -17.107 0.330 1.00 0.00 N ATOM 0 H ARG A 38 5.022 -12.715 1.590 1.00 0.00 H new ATOM 0 HA ARG A 38 5.905 -15.042 0.220 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.477 -12.456 -0.634 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.664 -13.854 -1.673 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.180 -14.006 0.960 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.397 -13.489 -0.520 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.023 -15.712 -1.577 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.684 -16.223 -0.036 1.00 0.00 H new ATOM 0 HE ARG A 38 1.098 -15.113 0.512 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.374 -18.030 -1.251 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.888 -18.944 -0.973 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.752 -16.313 0.832 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.898 -17.963 0.218 1.00 0.00 H new ATOM 443 N HIS A 39 8.161 -13.363 0.038 1.00 0.00 N ATOM 444 CA HIS A 39 9.367 -12.822 -0.508 1.00 0.00 C ATOM 445 C HIS A 39 9.286 -11.430 -1.032 1.00 0.00 C ATOM 446 O HIS A 39 9.972 -11.036 -1.974 1.00 0.00 O ATOM 447 CB HIS A 39 10.030 -13.765 -1.527 1.00 0.00 C ATOM 448 CG HIS A 39 10.745 -14.918 -0.888 1.00 0.00 C ATOM 449 ND1 HIS A 39 11.995 -15.251 -1.368 1.00 0.00 N ATOM 450 CD2 HIS A 39 10.411 -15.725 0.156 1.00 0.00 C ATOM 451 CE1 HIS A 39 12.406 -16.251 -0.611 1.00 0.00 C ATOM 452 NE2 HIS A 39 11.481 -16.578 0.333 1.00 0.00 N ATOM 0 H HIS A 39 8.289 -13.721 0.985 1.00 0.00 H new ATOM 0 HA HIS A 39 10.013 -12.744 0.367 1.00 0.00 H new ATOM 0 HB2 HIS A 39 9.268 -14.149 -2.205 1.00 0.00 H new ATOM 0 HB3 HIS A 39 10.738 -13.197 -2.131 1.00 0.00 H new ATOM 0 HD2 HIS A 39 9.496 -15.702 0.729 1.00 0.00 H new ATOM 0 HE1 HIS A 39 13.358 -16.748 -0.726 1.00 0.00 H new ATOM 0 HE2 HIS A 39 11.563 -17.312 1.036 1.00 0.00 H new ATOM 460 N GLY A 40 8.449 -10.580 -0.411 1.00 0.00 N ATOM 461 CA GLY A 40 8.329 -9.204 -0.781 1.00 0.00 C ATOM 462 C GLY A 40 6.915 -8.747 -0.680 1.00 0.00 C ATOM 463 O GLY A 40 6.018 -9.223 -1.374 1.00 0.00 O ATOM 0 H GLY A 40 7.844 -10.854 0.363 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.960 -8.593 -0.135 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.688 -9.065 -1.801 1.00 0.00 H new ATOM 467 N GLY A 41 6.684 -7.790 0.237 1.00 0.00 N ATOM 468 CA GLY A 41 5.396 -7.236 0.518 1.00 0.00 C ATOM 469 C GLY A 41 5.427 -6.679 1.900 1.00 0.00 C ATOM 470 O GLY A 41 6.014 -7.277 2.800 1.00 0.00 O ATOM 0 H GLY A 41 7.427 -7.385 0.807 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.151 -6.455 -0.202 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.625 -8.002 0.433 1.00 0.00 H new ATOM 474 N ILE A 42 4.786 -5.516 2.113 1.00 0.00 N ATOM 475 CA ILE A 42 4.577 -4.970 3.418 1.00 0.00 C ATOM 476 C ILE A 42 3.125 -5.161 3.694 1.00 0.00 C ATOM 477 O ILE A 42 2.341 -5.372 2.770 1.00 0.00 O ATOM 478 CB ILE A 42 5.089 -3.570 3.589 1.00 0.00 C ATOM 479 CG1 ILE A 42 5.442 -3.257 5.053 1.00 0.00 C ATOM 480 CG2 ILE A 42 4.136 -2.463 3.105 1.00 0.00 C ATOM 481 CD1 ILE A 42 6.683 -3.981 5.574 1.00 0.00 C ATOM 0 H ILE A 42 4.404 -4.942 1.361 1.00 0.00 H new ATOM 0 HA ILE A 42 5.173 -5.488 4.169 1.00 0.00 H new ATOM 0 HB ILE A 42 5.975 -3.558 2.955 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.594 -2.182 5.155 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.592 -3.520 5.683 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.596 -1.489 3.271 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.937 -2.594 2.041 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.199 -2.521 3.659 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.858 -3.702 6.613 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.530 -5.058 5.508 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.548 -3.700 4.973 1.00 0.00 H new ATOM 493 N TYR A 43 2.689 -5.203 4.965 1.00 0.00 N ATOM 494 CA TYR A 43 1.345 -5.572 5.288 1.00 0.00 C ATOM 495 C TYR A 43 0.878 -4.602 6.318 1.00 0.00 C ATOM 496 O TYR A 43 1.684 -3.987 7.015 1.00 0.00 O ATOM 497 CB TYR A 43 1.299 -6.977 5.911 1.00 0.00 C ATOM 498 CG TYR A 43 1.668 -8.075 4.973 1.00 0.00 C ATOM 499 CD1 TYR A 43 2.969 -8.300 4.586 1.00 0.00 C ATOM 500 CD2 TYR A 43 0.693 -8.939 4.535 1.00 0.00 C ATOM 501 CE1 TYR A 43 3.276 -9.325 3.723 1.00 0.00 C ATOM 502 CE2 TYR A 43 1.001 -10.010 3.730 1.00 0.00 C ATOM 503 CZ TYR A 43 2.298 -10.201 3.315 1.00 0.00 C ATOM 504 OH TYR A 43 2.638 -11.309 2.510 1.00 0.00 O ATOM 0 H TYR A 43 3.270 -4.980 5.773 1.00 0.00 H new ATOM 0 HA TYR A 43 0.729 -5.567 4.389 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.973 -7.004 6.767 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.294 -7.161 6.290 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.757 -7.665 4.964 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.333 -8.774 4.828 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.288 -9.442 3.365 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.227 -10.699 3.425 1.00 0.00 H new ATOM 0 HH TYR A 43 1.831 -11.829 2.311 1.00 0.00 H new ATOM 514 N VAL A 44 -0.442 -4.406 6.480 1.00 0.00 N ATOM 515 CA VAL A 44 -0.969 -3.520 7.471 1.00 0.00 C ATOM 516 C VAL A 44 -1.157 -4.202 8.783 1.00 0.00 C ATOM 517 O VAL A 44 -1.745 -5.280 8.852 1.00 0.00 O ATOM 518 CB VAL A 44 -2.305 -2.991 7.041 1.00 0.00 C ATOM 519 CG1 VAL A 44 -2.677 -1.818 7.963 1.00 0.00 C ATOM 520 CG2 VAL A 44 -2.270 -2.558 5.565 1.00 0.00 C ATOM 0 H VAL A 44 -1.154 -4.869 5.915 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.246 -2.712 7.582 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.062 -3.771 7.123 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.647 -1.417 7.668 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.727 -2.168 8.994 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.921 -1.037 7.881 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.249 -2.178 5.274 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.523 -1.775 5.433 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.013 -3.414 4.941 1.00 0.00 H new ATOM 530 N LYS A 45 -0.686 -3.612 9.896 1.00 0.00 N ATOM 531 CA LYS A 45 -0.959 -4.089 11.216 1.00 0.00 C ATOM 532 C LYS A 45 -2.122 -3.370 11.809 1.00 0.00 C ATOM 533 O LYS A 45 -2.967 -3.954 12.485 1.00 0.00 O ATOM 534 CB LYS A 45 0.256 -3.917 12.142 1.00 0.00 C ATOM 535 CG LYS A 45 0.551 -5.060 13.114 1.00 0.00 C ATOM 536 CD LYS A 45 -0.463 -5.332 14.227 1.00 0.00 C ATOM 537 CE LYS A 45 -1.301 -6.593 13.998 1.00 0.00 C ATOM 538 NZ LYS A 45 -2.279 -6.813 15.086 1.00 0.00 N ATOM 0 H LYS A 45 -0.098 -2.779 9.877 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.189 -5.151 11.128 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.138 -3.764 11.520 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.114 -3.006 12.723 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.662 -5.975 12.531 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.515 -4.861 13.581 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.067 -5.425 15.175 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.130 -4.474 14.317 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.828 -6.510 13.048 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.642 -7.458 13.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.825 -7.676 14.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.775 -6.918 15.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.925 -6.000 15.142 1.00 0.00 H new ATOM 552 N ALA A 46 -2.195 -2.043 11.603 1.00 0.00 N ATOM 553 CA ALA A 46 -3.195 -1.213 12.197 1.00 0.00 C ATOM 554 C ALA A 46 -3.608 -0.123 11.269 1.00 0.00 C ATOM 555 O ALA A 46 -2.780 0.510 10.616 1.00 0.00 O ATOM 556 CB ALA A 46 -2.690 -0.631 13.529 1.00 0.00 C ATOM 0 H ALA A 46 -1.541 -1.534 11.008 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.071 -1.830 12.399 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.464 -0.001 13.968 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.452 -1.444 14.215 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.796 -0.034 13.350 1.00 0.00 H new ATOM 562 N ILE A 47 -4.931 0.104 11.187 1.00 0.00 N ATOM 563 CA ILE A 47 -5.585 1.118 10.418 1.00 0.00 C ATOM 564 C ILE A 47 -5.881 2.274 11.310 1.00 0.00 C ATOM 565 O ILE A 47 -6.325 2.105 12.445 1.00 0.00 O ATOM 566 CB ILE A 47 -6.868 0.612 9.828 1.00 0.00 C ATOM 567 CG1 ILE A 47 -6.665 -0.662 8.991 1.00 0.00 C ATOM 568 CG2 ILE A 47 -7.587 1.686 8.995 1.00 0.00 C ATOM 569 CD1 ILE A 47 -5.813 -0.436 7.743 1.00 0.00 C ATOM 0 H ILE A 47 -5.598 -0.471 11.702 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.928 1.415 9.601 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.504 0.358 10.676 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.194 -1.424 9.611 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.638 -1.051 8.692 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.510 1.273 8.588 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.820 2.542 9.628 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.941 2.005 8.177 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.709 -1.375 7.198 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.294 0.304 7.103 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.827 -0.076 8.036 1.00 0.00 H new ATOM 581 N ILE A 48 -5.657 3.515 10.842 1.00 0.00 N ATOM 582 CA ILE A 48 -6.072 4.692 11.540 1.00 0.00 C ATOM 583 C ILE A 48 -7.535 4.907 11.359 1.00 0.00 C ATOM 584 O ILE A 48 -7.971 4.908 10.209 1.00 0.00 O ATOM 585 CB ILE A 48 -5.332 5.892 11.025 1.00 0.00 C ATOM 586 CG1 ILE A 48 -3.844 5.741 11.385 1.00 0.00 C ATOM 587 CG2 ILE A 48 -5.895 7.210 11.581 1.00 0.00 C ATOM 588 CD1 ILE A 48 -3.034 6.961 10.949 1.00 0.00 C ATOM 0 H ILE A 48 -5.178 3.705 9.962 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.851 4.558 12.599 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.456 5.938 9.943 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.742 5.601 12.461 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.442 4.847 10.908 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.325 8.048 11.178 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.941 7.310 11.291 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.818 7.208 12.668 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.988 6.819 11.220 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.116 7.085 9.869 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.420 7.851 11.447 1.00 0.00 H new ATOM 600 N PRO A 49 -8.347 5.179 12.338 1.00 0.00 N ATOM 601 CA PRO A 49 -9.707 5.583 12.134 1.00 0.00 C ATOM 602 C PRO A 49 -9.806 6.942 11.531 1.00 0.00 C ATOM 603 O PRO A 49 -9.780 7.950 12.237 1.00 0.00 O ATOM 604 CB PRO A 49 -10.358 5.497 13.512 1.00 0.00 C ATOM 605 CG PRO A 49 -9.193 5.709 14.491 1.00 0.00 C ATOM 606 CD PRO A 49 -8.006 5.076 13.749 1.00 0.00 C ATOM 0 HA PRO A 49 -10.218 4.940 11.417 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -11.128 6.259 13.637 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.838 4.531 13.667 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.024 6.766 14.696 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.376 5.223 15.449 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -7.077 5.601 13.970 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.863 4.037 14.046 1.00 0.00 H new ATOM 614 N LYS A 50 -9.906 6.978 10.189 1.00 0.00 N ATOM 615 CA LYS A 50 -10.125 8.118 9.354 1.00 0.00 C ATOM 616 C LYS A 50 -8.885 8.887 9.052 1.00 0.00 C ATOM 617 O LYS A 50 -8.829 10.109 9.180 1.00 0.00 O ATOM 618 CB LYS A 50 -11.282 9.038 9.782 1.00 0.00 C ATOM 619 CG LYS A 50 -12.622 8.343 10.033 1.00 0.00 C ATOM 620 CD LYS A 50 -13.356 7.943 8.751 1.00 0.00 C ATOM 621 CE LYS A 50 -14.632 7.131 8.984 1.00 0.00 C ATOM 622 NZ LYS A 50 -15.564 7.847 9.884 1.00 0.00 N ATOM 0 H LYS A 50 -9.825 6.123 9.638 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.456 7.668 8.418 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.989 9.561 10.692 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.425 9.795 9.011 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.452 7.452 10.637 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -13.262 9.006 10.616 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.610 8.845 8.195 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.679 7.362 8.125 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -15.121 6.936 8.030 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.377 6.163 9.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -16.472 7.341 9.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -15.157 7.892 10.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -15.718 8.812 9.528 1.00 0.00 H new ATOM 636 N GLY A 51 -7.853 8.192 8.542 1.00 0.00 N ATOM 637 CA GLY A 51 -6.867 8.773 7.684 1.00 0.00 C ATOM 638 C GLY A 51 -7.273 8.373 6.307 1.00 0.00 C ATOM 639 O GLY A 51 -8.256 7.660 6.112 1.00 0.00 O ATOM 0 H GLY A 51 -7.700 7.201 8.731 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.842 9.858 7.789 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.869 8.406 7.924 1.00 0.00 H new ATOM 643 N ALA A 52 -6.485 8.784 5.297 1.00 0.00 N ATOM 644 CA ALA A 52 -6.720 8.565 3.903 1.00 0.00 C ATOM 645 C ALA A 52 -6.916 7.143 3.505 1.00 0.00 C ATOM 646 O ALA A 52 -7.790 6.804 2.708 1.00 0.00 O ATOM 647 CB ALA A 52 -5.490 9.150 3.189 1.00 0.00 C ATOM 0 H ALA A 52 -5.625 9.305 5.467 1.00 0.00 H new ATOM 0 HA ALA A 52 -7.661 9.041 3.628 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.598 9.019 2.112 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.407 10.212 3.419 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.592 8.634 3.529 1.00 0.00 H new ATOM 653 N ALA A 53 -6.135 6.237 4.120 1.00 0.00 N ATOM 654 CA ALA A 53 -6.181 4.816 3.974 1.00 0.00 C ATOM 655 C ALA A 53 -7.476 4.183 4.353 1.00 0.00 C ATOM 656 O ALA A 53 -8.111 3.482 3.567 1.00 0.00 O ATOM 657 CB ALA A 53 -5.037 4.237 4.824 1.00 0.00 C ATOM 0 H ALA A 53 -5.409 6.526 4.776 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.072 4.591 2.913 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.036 3.150 4.741 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.084 4.629 4.468 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.179 4.521 5.867 1.00 0.00 H new ATOM 663 N GLU A 54 -7.975 4.442 5.575 1.00 0.00 N ATOM 664 CA GLU A 54 -9.263 4.013 6.024 1.00 0.00 C ATOM 665 C GLU A 54 -10.369 4.622 5.233 1.00 0.00 C ATOM 666 O GLU A 54 -11.460 4.075 5.076 1.00 0.00 O ATOM 667 CB GLU A 54 -9.437 4.390 7.505 1.00 0.00 C ATOM 668 CG GLU A 54 -10.793 4.121 8.161 1.00 0.00 C ATOM 669 CD GLU A 54 -11.269 2.679 8.251 1.00 0.00 C ATOM 670 OE1 GLU A 54 -11.094 1.884 7.289 1.00 0.00 O ATOM 671 OE2 GLU A 54 -11.907 2.327 9.279 1.00 0.00 O ATOM 0 H GLU A 54 -7.460 4.972 6.278 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.314 2.932 5.890 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.678 3.856 8.077 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.223 5.454 7.606 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.761 4.526 9.173 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.547 4.688 7.615 1.00 0.00 H new ATOM 678 N SER A 55 -10.125 5.815 4.660 1.00 0.00 N ATOM 679 CA SER A 55 -11.074 6.425 3.782 1.00 0.00 C ATOM 680 C SER A 55 -11.237 5.752 2.463 1.00 0.00 C ATOM 681 O SER A 55 -12.270 5.901 1.810 1.00 0.00 O ATOM 682 CB SER A 55 -10.811 7.929 3.598 1.00 0.00 C ATOM 683 OG SER A 55 -12.013 8.626 3.298 1.00 0.00 O ATOM 0 H SER A 55 -9.272 6.356 4.805 1.00 0.00 H new ATOM 0 HA SER A 55 -12.027 6.294 4.295 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.367 8.337 4.506 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.090 8.080 2.795 1.00 0.00 H new ATOM 0 HG SER A 55 -12.563 8.085 2.693 1.00 0.00 H new ATOM 689 N ASP A 56 -10.293 4.909 2.008 1.00 0.00 N ATOM 690 CA ASP A 56 -10.555 3.897 1.033 1.00 0.00 C ATOM 691 C ASP A 56 -11.387 2.850 1.691 1.00 0.00 C ATOM 692 O ASP A 56 -12.588 2.718 1.455 1.00 0.00 O ATOM 693 CB ASP A 56 -9.254 3.309 0.464 1.00 0.00 C ATOM 694 CG ASP A 56 -9.502 2.063 -0.376 1.00 0.00 C ATOM 695 OD1 ASP A 56 -10.166 2.176 -1.441 1.00 0.00 O ATOM 696 OD2 ASP A 56 -9.081 0.969 0.084 1.00 0.00 O ATOM 0 H ASP A 56 -9.324 4.932 2.326 1.00 0.00 H new ATOM 0 HA ASP A 56 -11.087 4.323 0.182 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.754 4.062 -0.145 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.580 3.063 1.284 1.00 0.00 H new ATOM 701 N GLY A 57 -10.758 2.081 2.597 1.00 0.00 N ATOM 702 CA GLY A 57 -11.457 1.305 3.573 1.00 0.00 C ATOM 703 C GLY A 57 -11.720 -0.107 3.177 1.00 0.00 C ATOM 704 O GLY A 57 -12.390 -0.843 3.901 1.00 0.00 O ATOM 0 H GLY A 57 -9.743 1.997 2.653 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -10.881 1.307 4.498 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -12.409 1.790 3.789 1.00 0.00 H new ATOM 708 N ARG A 58 -11.192 -0.554 2.023 1.00 0.00 N ATOM 709 CA ARG A 58 -11.308 -1.911 1.589 1.00 0.00 C ATOM 710 C ARG A 58 -10.292 -2.758 2.277 1.00 0.00 C ATOM 711 O ARG A 58 -10.450 -3.965 2.451 1.00 0.00 O ATOM 712 CB ARG A 58 -11.259 -1.926 0.051 1.00 0.00 C ATOM 713 CG ARG A 58 -12.573 -1.410 -0.540 1.00 0.00 C ATOM 714 CD ARG A 58 -12.483 -0.615 -1.844 1.00 0.00 C ATOM 715 NE ARG A 58 -11.972 -1.471 -2.951 1.00 0.00 N ATOM 716 CZ ARG A 58 -12.691 -2.434 -3.597 1.00 0.00 C ATOM 717 NH1 ARG A 58 -13.969 -2.768 -3.253 1.00 0.00 N ATOM 718 NH2 ARG A 58 -12.123 -3.073 -4.660 1.00 0.00 N ATOM 0 H ARG A 58 -10.673 0.041 1.378 1.00 0.00 H new ATOM 0 HA ARG A 58 -12.262 -2.357 1.870 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.431 -1.308 -0.297 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -11.070 -2.940 -0.301 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -13.227 -2.265 -0.709 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -13.057 -0.781 0.207 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.466 -0.223 -2.105 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -11.824 0.243 -1.708 1.00 0.00 H new ATOM 0 HE ARG A 58 -11.008 -1.326 -3.250 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -14.431 -2.289 -2.480 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -14.462 -3.496 -3.769 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -11.179 -2.828 -4.957 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -12.643 -3.796 -5.157 1.00 0.00 H new ATOM 732 N ILE A 59 -9.245 -2.109 2.816 1.00 0.00 N ATOM 733 CA ILE A 59 -8.341 -2.627 3.795 1.00 0.00 C ATOM 734 C ILE A 59 -8.977 -2.960 5.099 1.00 0.00 C ATOM 735 O ILE A 59 -9.912 -2.309 5.562 1.00 0.00 O ATOM 736 CB ILE A 59 -7.203 -1.695 4.092 1.00 0.00 C ATOM 737 CG1 ILE A 59 -7.405 -0.293 3.493 1.00 0.00 C ATOM 738 CG2 ILE A 59 -5.894 -2.357 3.630 1.00 0.00 C ATOM 739 CD1 ILE A 59 -6.321 0.687 3.937 1.00 0.00 C ATOM 0 H ILE A 59 -9.015 -1.152 2.547 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.978 -3.542 3.326 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.156 -1.525 5.168 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.407 -0.362 2.405 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.382 0.090 3.790 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.056 -1.692 3.839 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.753 -3.297 4.164 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.943 -2.553 2.559 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.507 1.663 3.488 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.336 0.778 5.023 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.346 0.320 3.617 1.00 0.00 H new ATOM 751 N HIS A 60 -8.420 -3.974 5.787 1.00 0.00 N ATOM 752 CA HIS A 60 -8.530 -4.183 7.197 1.00 0.00 C ATOM 753 C HIS A 60 -7.158 -4.435 7.720 1.00 0.00 C ATOM 754 O HIS A 60 -6.154 -4.076 7.107 1.00 0.00 O ATOM 755 CB HIS A 60 -9.507 -5.322 7.536 1.00 0.00 C ATOM 756 CG HIS A 60 -9.124 -6.660 6.979 1.00 0.00 C ATOM 757 ND1 HIS A 60 -8.693 -7.669 7.817 1.00 0.00 N ATOM 758 CD2 HIS A 60 -9.077 -7.067 5.682 1.00 0.00 C ATOM 759 CE1 HIS A 60 -8.368 -8.665 7.014 1.00 0.00 C ATOM 760 NE2 HIS A 60 -8.583 -8.355 5.707 1.00 0.00 N ATOM 0 H HIS A 60 -7.858 -4.692 5.329 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.950 -3.299 7.677 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -9.587 -5.404 8.620 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -10.496 -5.057 7.163 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -9.367 -6.498 4.811 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -7.978 -9.613 7.354 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -8.412 -8.958 4.902 1.00 0.00 H new ATOM 768 N LYS A 61 -7.012 -5.028 8.919 1.00 0.00 N ATOM 769 CA LYS A 61 -5.746 -5.238 9.549 1.00 0.00 C ATOM 770 C LYS A 61 -5.117 -6.528 9.151 1.00 0.00 C ATOM 771 O LYS A 61 -4.603 -7.285 9.973 1.00 0.00 O ATOM 772 CB LYS A 61 -5.933 -5.214 11.076 1.00 0.00 C ATOM 773 CG LYS A 61 -6.520 -3.908 11.614 1.00 0.00 C ATOM 774 CD LYS A 61 -6.673 -3.909 13.137 1.00 0.00 C ATOM 775 CE LYS A 61 -7.628 -4.984 13.657 1.00 0.00 C ATOM 776 NZ LYS A 61 -7.936 -4.798 15.092 1.00 0.00 N ATOM 0 H LYS A 61 -7.800 -5.372 9.467 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.081 -4.438 9.225 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.585 -6.039 11.364 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.968 -5.389 11.552 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.878 -3.078 11.318 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.494 -3.737 11.156 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.693 -4.055 13.592 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.031 -2.931 13.458 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.553 -4.958 13.081 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.185 -5.968 13.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.586 -5.546 15.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.057 -4.848 15.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.382 -3.869 15.234 1.00 0.00 H new ATOM 790 N GLY A 62 -5.125 -6.841 7.843 1.00 0.00 N ATOM 791 CA GLY A 62 -4.701 -8.109 7.336 1.00 0.00 C ATOM 792 C GLY A 62 -4.073 -8.064 5.986 1.00 0.00 C ATOM 793 O GLY A 62 -3.389 -9.006 5.590 1.00 0.00 O ATOM 0 H GLY A 62 -5.435 -6.194 7.118 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.990 -8.546 8.038 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.562 -8.776 7.298 1.00 0.00 H new ATOM 797 N ASP A 63 -4.310 -7.001 5.197 1.00 0.00 N ATOM 798 CA ASP A 63 -3.993 -6.991 3.802 1.00 0.00 C ATOM 799 C ASP A 63 -2.560 -6.759 3.466 1.00 0.00 C ATOM 800 O ASP A 63 -1.753 -6.274 4.257 1.00 0.00 O ATOM 801 CB ASP A 63 -4.875 -5.949 3.091 1.00 0.00 C ATOM 802 CG ASP A 63 -6.331 -6.287 3.377 1.00 0.00 C ATOM 803 OD1 ASP A 63 -6.868 -7.291 2.838 1.00 0.00 O ATOM 804 OD2 ASP A 63 -6.934 -5.550 4.202 1.00 0.00 O ATOM 0 H ASP A 63 -4.729 -6.134 5.533 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.198 -8.002 3.450 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.640 -4.946 3.447 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.686 -5.959 2.018 1.00 0.00 H new ATOM 809 N ARG A 64 -2.208 -7.141 2.226 1.00 0.00 N ATOM 810 CA ARG A 64 -0.878 -7.141 1.700 1.00 0.00 C ATOM 811 C ARG A 64 -0.686 -5.991 0.773 1.00 0.00 C ATOM 812 O ARG A 64 -1.396 -5.859 -0.223 1.00 0.00 O ATOM 813 CB ARG A 64 -0.665 -8.439 0.903 1.00 0.00 C ATOM 814 CG ARG A 64 0.697 -8.573 0.218 1.00 0.00 C ATOM 815 CD ARG A 64 0.756 -9.761 -0.744 1.00 0.00 C ATOM 816 NE ARG A 64 2.125 -9.744 -1.332 1.00 0.00 N ATOM 817 CZ ARG A 64 2.503 -10.565 -2.355 1.00 0.00 C ATOM 818 NH1 ARG A 64 1.610 -11.346 -3.031 1.00 0.00 N ATOM 819 NH2 ARG A 64 3.826 -10.626 -2.687 1.00 0.00 N ATOM 0 H ARG A 64 -2.896 -7.470 1.548 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.170 -7.064 2.525 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.798 -9.285 1.577 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.443 -8.511 0.143 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.917 -7.656 -0.329 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.472 -8.685 0.976 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.568 -10.698 -0.219 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.004 -9.673 -1.521 1.00 0.00 H new ATOM 0 HE ARG A 64 2.810 -9.090 -0.953 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.622 -11.328 -2.777 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.931 -11.947 -3.790 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.507 -10.066 -2.174 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.134 -11.232 -3.448 1.00 0.00 H new ATOM 833 N VAL A 65 0.324 -5.133 1.004 1.00 0.00 N ATOM 834 CA VAL A 65 0.779 -4.163 0.057 1.00 0.00 C ATOM 835 C VAL A 65 1.796 -4.830 -0.805 1.00 0.00 C ATOM 836 O VAL A 65 2.829 -5.279 -0.314 1.00 0.00 O ATOM 837 CB VAL A 65 1.401 -2.946 0.675 1.00 0.00 C ATOM 838 CG1 VAL A 65 1.333 -1.783 -0.328 1.00 0.00 C ATOM 839 CG2 VAL A 65 0.752 -2.558 2.014 1.00 0.00 C ATOM 0 H VAL A 65 0.843 -5.114 1.882 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.091 -3.812 -0.497 1.00 0.00 H new ATOM 0 HB VAL A 65 2.441 -3.179 0.904 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.783 -0.894 0.114 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.875 -2.052 -1.234 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.292 -1.577 -0.576 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.244 -1.671 2.413 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.306 -2.347 1.858 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.858 -3.380 2.721 1.00 0.00 H new ATOM 849 N LEU A 66 1.568 -4.966 -2.123 1.00 0.00 N ATOM 850 CA LEU A 66 2.536 -5.515 -3.022 1.00 0.00 C ATOM 851 C LEU A 66 3.293 -4.468 -3.763 1.00 0.00 C ATOM 852 O LEU A 66 4.488 -4.627 -4.008 1.00 0.00 O ATOM 853 CB LEU A 66 1.966 -6.560 -3.996 1.00 0.00 C ATOM 854 CG LEU A 66 0.707 -6.184 -4.795 1.00 0.00 C ATOM 855 CD1 LEU A 66 0.709 -6.898 -6.157 1.00 0.00 C ATOM 856 CD2 LEU A 66 -0.559 -6.589 -4.021 1.00 0.00 C ATOM 0 H LEU A 66 0.695 -4.690 -2.573 1.00 0.00 H new ATOM 0 HA LEU A 66 3.234 -6.042 -2.372 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.750 -6.817 -4.708 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.744 -7.463 -3.427 1.00 0.00 H new ATOM 0 HG LEU A 66 0.710 -5.105 -4.947 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.187 -6.624 -6.713 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.592 -6.600 -6.722 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.724 -7.977 -6.002 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.442 -6.316 -4.599 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.554 -7.666 -3.853 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.580 -6.072 -3.062 1.00 0.00 H new ATOM 868 N ALA A 67 2.655 -3.348 -4.144 1.00 0.00 N ATOM 869 CA ALA A 67 3.365 -2.343 -4.875 1.00 0.00 C ATOM 870 C ALA A 67 2.832 -0.982 -4.586 1.00 0.00 C ATOM 871 O ALA A 67 1.681 -0.820 -4.183 1.00 0.00 O ATOM 872 CB ALA A 67 3.324 -2.627 -6.385 1.00 0.00 C ATOM 0 H ALA A 67 1.675 -3.140 -3.954 1.00 0.00 H new ATOM 0 HA ALA A 67 4.404 -2.374 -4.547 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.871 -1.848 -6.917 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.784 -3.595 -6.586 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.288 -2.640 -6.725 1.00 0.00 H new ATOM 878 N VAL A 68 3.666 0.062 -4.743 1.00 0.00 N ATOM 879 CA VAL A 68 3.303 1.409 -4.427 1.00 0.00 C ATOM 880 C VAL A 68 3.727 2.349 -5.502 1.00 0.00 C ATOM 881 O VAL A 68 4.915 2.409 -5.820 1.00 0.00 O ATOM 882 CB VAL A 68 3.898 1.860 -3.126 1.00 0.00 C ATOM 883 CG1 VAL A 68 3.473 3.306 -2.814 1.00 0.00 C ATOM 884 CG2 VAL A 68 3.433 0.912 -2.008 1.00 0.00 C ATOM 0 H VAL A 68 4.617 -0.033 -5.099 1.00 0.00 H new ATOM 0 HA VAL A 68 2.217 1.421 -4.340 1.00 0.00 H new ATOM 0 HB VAL A 68 4.985 1.835 -3.196 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.913 3.618 -1.867 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.818 3.966 -3.610 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.387 3.359 -2.744 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.861 1.232 -1.058 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.345 0.934 -1.942 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.763 -0.103 -2.231 1.00 0.00 H new ATOM 894 N ASN A 69 2.811 3.105 -6.130 1.00 0.00 N ATOM 895 CA ASN A 69 3.096 4.008 -7.202 1.00 0.00 C ATOM 896 C ASN A 69 3.610 3.330 -8.426 1.00 0.00 C ATOM 897 O ASN A 69 4.266 3.920 -9.284 1.00 0.00 O ATOM 898 CB ASN A 69 3.998 5.147 -6.699 1.00 0.00 C ATOM 899 CG ASN A 69 3.836 6.448 -7.473 1.00 0.00 C ATOM 900 OD1 ASN A 69 2.910 6.638 -8.259 1.00 0.00 O ATOM 901 ND2 ASN A 69 4.773 7.400 -7.215 1.00 0.00 N ATOM 0 H ASN A 69 1.823 3.086 -5.878 1.00 0.00 H new ATOM 0 HA ASN A 69 2.156 4.451 -7.530 1.00 0.00 H new ATOM 0 HB2 ASN A 69 3.781 5.332 -5.647 1.00 0.00 H new ATOM 0 HB3 ASN A 69 5.038 4.827 -6.758 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.721 8.306 -7.680 1.00 0.00 H new ATOM 0 HD22 ASN A 69 5.528 7.207 -6.557 1.00 0.00 H new ATOM 908 N GLY A 70 3.334 2.020 -8.554 1.00 0.00 N ATOM 909 CA GLY A 70 3.891 1.160 -9.551 1.00 0.00 C ATOM 910 C GLY A 70 5.250 0.652 -9.206 1.00 0.00 C ATOM 911 O GLY A 70 6.008 0.237 -10.081 1.00 0.00 O ATOM 0 H GLY A 70 2.689 1.536 -7.929 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.223 0.312 -9.703 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.943 1.699 -10.497 1.00 0.00 H new ATOM 915 N VAL A 71 5.626 0.674 -7.915 1.00 0.00 N ATOM 916 CA VAL A 71 6.920 0.289 -7.445 1.00 0.00 C ATOM 917 C VAL A 71 6.746 -0.847 -6.497 1.00 0.00 C ATOM 918 O VAL A 71 6.204 -0.710 -5.401 1.00 0.00 O ATOM 919 CB VAL A 71 7.720 1.370 -6.781 1.00 0.00 C ATOM 920 CG1 VAL A 71 9.154 0.879 -6.521 1.00 0.00 C ATOM 921 CG2 VAL A 71 7.758 2.612 -7.687 1.00 0.00 C ATOM 0 H VAL A 71 5.001 0.973 -7.167 1.00 0.00 H new ATOM 0 HA VAL A 71 7.496 0.021 -8.330 1.00 0.00 H new ATOM 0 HB VAL A 71 7.253 1.626 -5.830 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.728 1.670 -6.039 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.127 0.004 -5.872 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.625 0.615 -7.468 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.340 3.397 -7.204 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.219 2.353 -8.640 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.742 2.967 -7.860 1.00 0.00 H new ATOM 931 N SER A 72 7.191 -2.047 -6.912 1.00 0.00 N ATOM 932 CA SER A 72 7.148 -3.270 -6.172 1.00 0.00 C ATOM 933 C SER A 72 7.856 -3.226 -4.863 1.00 0.00 C ATOM 934 O SER A 72 8.961 -2.697 -4.752 1.00 0.00 O ATOM 935 CB SER A 72 7.839 -4.413 -6.937 1.00 0.00 C ATOM 936 OG SER A 72 7.334 -4.560 -8.256 1.00 0.00 O ATOM 0 H SER A 72 7.612 -2.170 -7.833 1.00 0.00 H new ATOM 0 HA SER A 72 6.080 -3.429 -6.021 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.911 -4.223 -6.980 1.00 0.00 H new ATOM 0 HB3 SER A 72 7.703 -5.347 -6.392 1.00 0.00 H new ATOM 0 HG SER A 72 7.801 -5.295 -8.705 1.00 0.00 H new ATOM 942 N LEU A 73 7.299 -3.866 -3.819 1.00 0.00 N ATOM 943 CA LEU A 73 7.952 -4.078 -2.564 1.00 0.00 C ATOM 944 C LEU A 73 8.879 -5.244 -2.610 1.00 0.00 C ATOM 945 O LEU A 73 8.928 -6.102 -1.731 1.00 0.00 O ATOM 946 CB LEU A 73 6.879 -4.224 -1.472 1.00 0.00 C ATOM 947 CG LEU A 73 6.407 -2.871 -0.915 1.00 0.00 C ATOM 948 CD1 LEU A 73 4.935 -2.922 -0.474 1.00 0.00 C ATOM 949 CD2 LEU A 73 7.263 -2.437 0.288 1.00 0.00 C ATOM 0 H LEU A 73 6.355 -4.251 -3.851 1.00 0.00 H new ATOM 0 HA LEU A 73 8.580 -3.218 -2.330 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.023 -4.762 -1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.277 -4.828 -0.657 1.00 0.00 H new ATOM 0 HG LEU A 73 6.515 -2.148 -1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.637 -1.948 -0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.308 -3.180 -1.328 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.814 -3.675 0.305 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.906 -1.477 0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.186 -3.184 1.078 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.304 -2.342 -0.021 1.00 0.00 H new ATOM 961 N GLU A 74 9.714 -5.294 -3.663 1.00 0.00 N ATOM 962 CA GLU A 74 10.654 -6.334 -3.947 1.00 0.00 C ATOM 963 C GLU A 74 11.892 -6.124 -3.147 1.00 0.00 C ATOM 964 O GLU A 74 12.563 -5.097 -3.251 1.00 0.00 O ATOM 965 CB GLU A 74 10.983 -6.361 -5.450 1.00 0.00 C ATOM 966 CG GLU A 74 11.871 -7.531 -5.876 1.00 0.00 C ATOM 967 CD GLU A 74 12.168 -7.543 -7.368 1.00 0.00 C ATOM 968 OE1 GLU A 74 11.783 -6.587 -8.092 1.00 0.00 O ATOM 969 OE2 GLU A 74 12.802 -8.532 -7.824 1.00 0.00 O ATOM 0 H GLU A 74 9.733 -4.555 -4.365 1.00 0.00 H new ATOM 0 HA GLU A 74 10.216 -7.294 -3.675 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.051 -6.403 -6.014 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.477 -5.427 -5.719 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.810 -7.486 -5.325 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.385 -8.467 -5.601 1.00 0.00 H new ATOM 976 N GLY A 75 12.209 -7.072 -2.247 1.00 0.00 N ATOM 977 CA GLY A 75 13.305 -6.955 -1.336 1.00 0.00 C ATOM 978 C GLY A 75 13.106 -5.959 -0.246 1.00 0.00 C ATOM 979 O GLY A 75 14.051 -5.612 0.462 1.00 0.00 O ATOM 0 H GLY A 75 11.689 -7.944 -2.150 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.493 -7.931 -0.888 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.199 -6.685 -1.898 1.00 0.00 H new ATOM 983 N ALA A 76 11.874 -5.453 -0.061 1.00 0.00 N ATOM 984 CA ALA A 76 11.588 -4.428 0.895 1.00 0.00 C ATOM 985 C ALA A 76 11.172 -4.976 2.216 1.00 0.00 C ATOM 986 O ALA A 76 10.359 -5.890 2.347 1.00 0.00 O ATOM 987 CB ALA A 76 10.567 -3.414 0.349 1.00 0.00 C ATOM 0 H ALA A 76 11.057 -5.763 -0.588 1.00 0.00 H new ATOM 0 HA ALA A 76 12.522 -3.893 1.066 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.374 -2.650 1.102 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.966 -2.944 -0.550 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.637 -3.928 0.107 1.00 0.00 H new ATOM 993 N THR A 77 11.784 -4.426 3.280 1.00 0.00 N ATOM 994 CA THR A 77 11.678 -4.811 4.653 1.00 0.00 C ATOM 995 C THR A 77 10.934 -3.707 5.320 1.00 0.00 C ATOM 996 O THR A 77 10.322 -2.884 4.641 1.00 0.00 O ATOM 997 CB THR A 77 13.031 -5.110 5.229 1.00 0.00 C ATOM 998 OG1 THR A 77 13.091 -5.217 6.643 1.00 0.00 O ATOM 999 CG2 THR A 77 14.097 -4.101 4.766 1.00 0.00 C ATOM 0 H THR A 77 12.415 -3.633 3.164 1.00 0.00 H new ATOM 0 HA THR A 77 11.131 -5.742 4.800 1.00 0.00 H new ATOM 0 HB THR A 77 13.243 -6.103 4.832 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.011 -5.414 6.917 1.00 0.00 H new ATOM 0 HG21 THR A 77 15.059 -4.359 5.209 1.00 0.00 H new ATOM 0 HG22 THR A 77 14.178 -4.130 3.679 1.00 0.00 H new ATOM 0 HG23 THR A 77 13.810 -3.098 5.081 1.00 0.00 H new ATOM 1007 N HIS A 78 10.921 -3.602 6.661 1.00 0.00 N ATOM 1008 CA HIS A 78 10.225 -2.595 7.402 1.00 0.00 C ATOM 1009 C HIS A 78 10.646 -1.212 7.040 1.00 0.00 C ATOM 1010 O HIS A 78 9.813 -0.365 6.720 1.00 0.00 O ATOM 1011 CB HIS A 78 10.369 -2.814 8.918 1.00 0.00 C ATOM 1012 CG HIS A 78 10.065 -1.629 9.787 1.00 0.00 C ATOM 1013 ND1 HIS A 78 11.015 -1.026 10.568 1.00 0.00 N ATOM 1014 CD2 HIS A 78 8.941 -0.872 9.890 1.00 0.00 C ATOM 1015 CE1 HIS A 78 10.501 0.055 11.122 1.00 0.00 C ATOM 1016 NE2 HIS A 78 9.245 0.166 10.731 1.00 0.00 N ATOM 0 H HIS A 78 11.424 -4.256 7.261 1.00 0.00 H new ATOM 0 HA HIS A 78 9.175 -2.695 7.128 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.711 -3.632 9.211 1.00 0.00 H new ATOM 0 HB3 HIS A 78 11.390 -3.137 9.123 1.00 0.00 H new ATOM 0 HD1 HIS A 78 11.970 -1.360 10.700 1.00 0.00 H new ATOM 0 HD2 HIS A 78 7.994 -1.053 9.404 1.00 0.00 H new ATOM 0 HE1 HIS A 78 11.019 0.734 11.783 1.00 0.00 H new ATOM 1025 N LYS A 79 11.961 -0.934 7.067 1.00 0.00 N ATOM 1026 CA LYS A 79 12.510 0.368 6.850 1.00 0.00 C ATOM 1027 C LYS A 79 12.385 0.813 5.433 1.00 0.00 C ATOM 1028 O LYS A 79 11.958 1.931 5.152 1.00 0.00 O ATOM 1029 CB LYS A 79 13.975 0.351 7.316 1.00 0.00 C ATOM 1030 CG LYS A 79 14.712 1.692 7.299 1.00 0.00 C ATOM 1031 CD LYS A 79 16.110 1.550 7.902 1.00 0.00 C ATOM 1032 CE LYS A 79 17.034 2.753 7.702 1.00 0.00 C ATOM 1033 NZ LYS A 79 16.408 3.991 8.220 1.00 0.00 N ATOM 0 H LYS A 79 12.670 -1.645 7.247 1.00 0.00 H new ATOM 0 HA LYS A 79 11.943 1.097 7.430 1.00 0.00 H new ATOM 0 HB2 LYS A 79 14.005 -0.042 8.332 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.525 -0.349 6.687 1.00 0.00 H new ATOM 0 HG2 LYS A 79 14.788 2.058 6.275 1.00 0.00 H new ATOM 0 HG3 LYS A 79 14.142 2.433 7.860 1.00 0.00 H new ATOM 0 HD2 LYS A 79 16.009 1.364 8.971 1.00 0.00 H new ATOM 0 HD3 LYS A 79 16.587 0.671 7.469 1.00 0.00 H new ATOM 0 HE2 LYS A 79 17.981 2.578 8.213 1.00 0.00 H new ATOM 0 HE3 LYS A 79 17.260 2.871 6.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 17.085 4.777 8.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.561 4.213 7.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 16.138 3.853 9.215 1.00 0.00 H new ATOM 1047 N GLN A 80 12.698 -0.086 4.483 1.00 0.00 N ATOM 1048 CA GLN A 80 12.523 0.110 3.077 1.00 0.00 C ATOM 1049 C GLN A 80 11.101 0.272 2.665 1.00 0.00 C ATOM 1050 O GLN A 80 10.786 1.102 1.814 1.00 0.00 O ATOM 1051 CB GLN A 80 13.192 -1.031 2.292 1.00 0.00 C ATOM 1052 CG GLN A 80 14.088 -0.567 1.142 1.00 0.00 C ATOM 1053 CD GLN A 80 13.354 0.220 0.064 1.00 0.00 C ATOM 1054 OE1 GLN A 80 13.345 1.449 0.053 1.00 0.00 O ATOM 1055 NE2 GLN A 80 12.725 -0.512 -0.893 1.00 0.00 N ATOM 0 H GLN A 80 13.094 -0.998 4.708 1.00 0.00 H new ATOM 0 HA GLN A 80 13.011 1.055 2.837 1.00 0.00 H new ATOM 0 HB2 GLN A 80 13.787 -1.630 2.981 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.416 -1.684 1.891 1.00 0.00 H new ATOM 0 HG2 GLN A 80 14.890 0.051 1.546 1.00 0.00 H new ATOM 0 HG3 GLN A 80 14.557 -1.439 0.685 1.00 0.00 H new ATOM 0 HE21 GLN A 80 12.751 -1.531 -0.855 1.00 0.00 H new ATOM 0 HE22 GLN A 80 12.227 -0.042 -1.649 1.00 0.00 H new ATOM 1064 N ALA A 81 10.144 -0.471 3.251 1.00 0.00 N ATOM 1065 CA ALA A 81 8.754 -0.285 2.971 1.00 0.00 C ATOM 1066 C ALA A 81 8.225 1.054 3.354 1.00 0.00 C ATOM 1067 O ALA A 81 7.459 1.646 2.594 1.00 0.00 O ATOM 1068 CB ALA A 81 7.901 -1.342 3.692 1.00 0.00 C ATOM 0 H ALA A 81 10.337 -1.210 3.927 1.00 0.00 H new ATOM 0 HA ALA A 81 8.681 -0.381 1.888 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.848 -1.178 3.462 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.195 -2.337 3.357 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.055 -1.261 4.768 1.00 0.00 H new ATOM 1074 N VAL A 82 8.643 1.593 4.513 1.00 0.00 N ATOM 1075 CA VAL A 82 8.333 2.936 4.896 1.00 0.00 C ATOM 1076 C VAL A 82 8.841 3.894 3.874 1.00 0.00 C ATOM 1077 O VAL A 82 8.056 4.665 3.322 1.00 0.00 O ATOM 1078 CB VAL A 82 8.848 3.353 6.241 1.00 0.00 C ATOM 1079 CG1 VAL A 82 8.582 4.841 6.525 1.00 0.00 C ATOM 1080 CG2 VAL A 82 8.167 2.501 7.326 1.00 0.00 C ATOM 0 H VAL A 82 9.206 1.088 5.197 1.00 0.00 H new ATOM 0 HA VAL A 82 7.245 2.957 4.964 1.00 0.00 H new ATOM 0 HB VAL A 82 9.927 3.200 6.249 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.972 5.099 7.510 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.077 5.450 5.768 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.509 5.030 6.499 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.536 2.798 8.307 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.088 2.652 7.283 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.393 1.448 7.157 1.00 0.00 H new ATOM 1090 N GLU A 83 10.138 3.861 3.519 1.00 0.00 N ATOM 1091 CA GLU A 83 10.756 4.666 2.513 1.00 0.00 C ATOM 1092 C GLU A 83 10.070 4.672 1.190 1.00 0.00 C ATOM 1093 O GLU A 83 9.946 5.700 0.526 1.00 0.00 O ATOM 1094 CB GLU A 83 12.211 4.177 2.416 1.00 0.00 C ATOM 1095 CG GLU A 83 13.214 5.263 2.025 1.00 0.00 C ATOM 1096 CD GLU A 83 14.643 4.857 2.360 1.00 0.00 C ATOM 1097 OE1 GLU A 83 14.959 4.733 3.574 1.00 0.00 O ATOM 1098 OE2 GLU A 83 15.476 4.681 1.433 1.00 0.00 O ATOM 0 H GLU A 83 10.799 3.227 3.967 1.00 0.00 H new ATOM 0 HA GLU A 83 10.692 5.713 2.808 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.505 3.756 3.377 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.263 3.370 1.685 1.00 0.00 H new ATOM 0 HG2 GLU A 83 13.134 5.465 0.957 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.968 6.190 2.544 1.00 0.00 H new ATOM 1105 N THR A 84 9.523 3.512 0.786 1.00 0.00 N ATOM 1106 CA THR A 84 8.783 3.265 -0.413 1.00 0.00 C ATOM 1107 C THR A 84 7.418 3.863 -0.414 1.00 0.00 C ATOM 1108 O THR A 84 6.942 4.287 -1.467 1.00 0.00 O ATOM 1109 CB THR A 84 8.785 1.800 -0.732 1.00 0.00 C ATOM 1110 OG1 THR A 84 10.124 1.338 -0.841 1.00 0.00 O ATOM 1111 CG2 THR A 84 8.149 1.416 -2.079 1.00 0.00 C ATOM 0 H THR A 84 9.608 2.669 1.354 1.00 0.00 H new ATOM 0 HA THR A 84 9.297 3.786 -1.221 1.00 0.00 H new ATOM 0 HB THR A 84 8.206 1.359 0.079 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.510 1.238 0.054 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.202 0.335 -2.212 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.106 1.732 -2.092 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.688 1.908 -2.889 1.00 0.00 H new ATOM 1119 N LEU A 85 6.728 3.992 0.733 1.00 0.00 N ATOM 1120 CA LEU A 85 5.472 4.657 0.894 1.00 0.00 C ATOM 1121 C LEU A 85 5.588 6.111 1.200 1.00 0.00 C ATOM 1122 O LEU A 85 4.792 6.941 0.765 1.00 0.00 O ATOM 1123 CB LEU A 85 4.756 4.075 2.125 1.00 0.00 C ATOM 1124 CG LEU A 85 4.334 2.599 2.028 1.00 0.00 C ATOM 1125 CD1 LEU A 85 4.245 1.946 3.417 1.00 0.00 C ATOM 1126 CD2 LEU A 85 2.989 2.438 1.298 1.00 0.00 C ATOM 0 H LEU A 85 7.074 3.603 1.610 1.00 0.00 H new ATOM 0 HA LEU A 85 4.952 4.517 -0.053 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.412 4.188 2.988 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.866 4.674 2.319 1.00 0.00 H new ATOM 0 HG LEU A 85 5.107 2.093 1.449 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.944 0.904 3.310 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.218 1.995 3.905 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.509 2.476 4.022 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.725 1.381 1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.214 2.981 1.839 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.074 2.837 0.287 1.00 0.00 H new ATOM 1138 N ARG A 86 6.592 6.475 2.017 1.00 0.00 N ATOM 1139 CA ARG A 86 6.754 7.744 2.657 1.00 0.00 C ATOM 1140 C ARG A 86 7.386 8.771 1.782 1.00 0.00 C ATOM 1141 O ARG A 86 6.905 9.902 1.732 1.00 0.00 O ATOM 1142 CB ARG A 86 7.551 7.500 3.950 1.00 0.00 C ATOM 1143 CG ARG A 86 7.692 8.711 4.874 1.00 0.00 C ATOM 1144 CD ARG A 86 9.073 9.345 4.701 1.00 0.00 C ATOM 1145 NE ARG A 86 9.021 10.674 5.372 1.00 0.00 N ATOM 1146 CZ ARG A 86 10.104 11.379 5.813 1.00 0.00 C ATOM 1147 NH1 ARG A 86 11.364 10.859 5.871 1.00 0.00 N ATOM 1148 NH2 ARG A 86 9.946 12.669 6.231 1.00 0.00 N ATOM 0 H ARG A 86 7.349 5.831 2.247 1.00 0.00 H new ATOM 0 HA ARG A 86 5.775 8.165 2.886 1.00 0.00 H new ATOM 0 HB2 ARG A 86 7.071 6.695 4.506 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.548 7.152 3.681 1.00 0.00 H new ATOM 0 HG2 ARG A 86 6.916 9.443 4.648 1.00 0.00 H new ATOM 0 HG3 ARG A 86 7.550 8.406 5.911 1.00 0.00 H new ATOM 0 HD2 ARG A 86 9.845 8.717 5.145 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.319 9.454 3.645 1.00 0.00 H new ATOM 0 HE ARG A 86 8.101 11.091 5.514 1.00 0.00 H new ATOM 0 HH11 ARG A 86 11.533 9.897 5.576 1.00 0.00 H new ATOM 0 HH12 ARG A 86 12.137 11.432 6.209 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.022 13.101 6.213 1.00 0.00 H new ATOM 0 HH22 ARG A 86 10.752 13.200 6.561 1.00 0.00 H new ATOM 1162 N ASN A 87 8.471 8.455 1.051 1.00 0.00 N ATOM 1163 CA ASN A 87 9.232 9.408 0.304 1.00 0.00 C ATOM 1164 C ASN A 87 8.748 9.556 -1.098 1.00 0.00 C ATOM 1165 O ASN A 87 9.504 9.718 -2.055 1.00 0.00 O ATOM 1166 CB ASN A 87 10.711 8.988 0.350 1.00 0.00 C ATOM 1167 CG ASN A 87 11.660 10.131 0.023 1.00 0.00 C ATOM 1168 OD1 ASN A 87 11.659 11.169 0.684 1.00 0.00 O ATOM 1169 ND2 ASN A 87 12.524 9.951 -1.012 1.00 0.00 N ATOM 0 H ASN A 87 8.830 7.503 0.978 1.00 0.00 H new ATOM 0 HA ASN A 87 9.109 10.391 0.758 1.00 0.00 H new ATOM 0 HB2 ASN A 87 10.943 8.602 1.342 1.00 0.00 H new ATOM 0 HB3 ASN A 87 10.874 8.173 -0.355 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.189 10.685 -1.254 1.00 0.00 H new ATOM 0 HD22 ASN A 87 12.506 9.082 -1.546 1.00 0.00 H new ATOM 1176 N THR A 88 7.417 9.494 -1.284 1.00 0.00 N ATOM 1177 CA THR A 88 6.725 9.443 -2.535 1.00 0.00 C ATOM 1178 C THR A 88 6.369 10.780 -3.087 1.00 0.00 C ATOM 1179 O THR A 88 6.539 11.816 -2.446 1.00 0.00 O ATOM 1180 CB THR A 88 5.477 8.634 -2.335 1.00 0.00 C ATOM 1181 OG1 THR A 88 4.764 9.076 -1.188 1.00 0.00 O ATOM 1182 CG2 THR A 88 5.936 7.197 -2.037 1.00 0.00 C ATOM 0 H THR A 88 6.773 9.478 -0.493 1.00 0.00 H new ATOM 0 HA THR A 88 7.397 8.992 -3.265 1.00 0.00 H new ATOM 0 HB THR A 88 4.840 8.720 -3.215 1.00 0.00 H new ATOM 0 HG1 THR A 88 4.773 8.372 -0.506 1.00 0.00 H new ATOM 0 HG21 THR A 88 5.064 6.561 -1.882 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.516 6.818 -2.879 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.553 7.191 -1.139 1.00 0.00 H new ATOM 1190 N GLY A 89 5.836 10.840 -4.320 1.00 0.00 N ATOM 1191 CA GLY A 89 5.407 12.049 -4.952 1.00 0.00 C ATOM 1192 C GLY A 89 4.013 12.450 -4.609 1.00 0.00 C ATOM 1193 O GLY A 89 3.201 12.725 -5.491 1.00 0.00 O ATOM 0 H GLY A 89 5.698 10.013 -4.900 1.00 0.00 H new ATOM 0 HA2 GLY A 89 6.086 12.854 -4.671 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.484 11.929 -6.033 1.00 0.00 H new ATOM 1197 N GLN A 90 3.705 12.504 -3.301 1.00 0.00 N ATOM 1198 CA GLN A 90 2.458 12.823 -2.676 1.00 0.00 C ATOM 1199 C GLN A 90 1.367 11.827 -2.867 1.00 0.00 C ATOM 1200 O GLN A 90 0.750 11.364 -1.910 1.00 0.00 O ATOM 1201 CB GLN A 90 1.993 14.247 -3.022 1.00 0.00 C ATOM 1202 CG GLN A 90 0.983 14.851 -2.044 1.00 0.00 C ATOM 1203 CD GLN A 90 1.639 15.257 -0.732 1.00 0.00 C ATOM 1204 OE1 GLN A 90 2.860 15.357 -0.611 1.00 0.00 O ATOM 1205 NE2 GLN A 90 0.800 15.537 0.301 1.00 0.00 N ATOM 0 H GLN A 90 4.418 12.299 -2.601 1.00 0.00 H new ATOM 0 HA GLN A 90 2.679 12.776 -1.610 1.00 0.00 H new ATOM 0 HB2 GLN A 90 2.866 14.898 -3.067 1.00 0.00 H new ATOM 0 HB3 GLN A 90 1.551 14.237 -4.018 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.512 15.722 -2.500 1.00 0.00 H new ATOM 0 HG3 GLN A 90 0.192 14.128 -1.846 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.209 15.447 0.178 1.00 0.00 H new ATOM 0 HE22 GLN A 90 1.179 15.837 1.199 1.00 0.00 H new ATOM 1214 N VAL A 91 1.098 11.446 -4.128 1.00 0.00 N ATOM 1215 CA VAL A 91 0.164 10.423 -4.486 1.00 0.00 C ATOM 1216 C VAL A 91 0.762 9.082 -4.235 1.00 0.00 C ATOM 1217 O VAL A 91 1.865 8.746 -4.665 1.00 0.00 O ATOM 1218 CB VAL A 91 -0.333 10.502 -5.899 1.00 0.00 C ATOM 1219 CG1 VAL A 91 -1.045 9.219 -6.361 1.00 0.00 C ATOM 1220 CG2 VAL A 91 -1.284 11.710 -5.953 1.00 0.00 C ATOM 0 H VAL A 91 1.553 11.871 -4.936 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.709 10.583 -3.854 1.00 0.00 H new ATOM 0 HB VAL A 91 0.510 10.616 -6.581 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.381 9.340 -7.391 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.354 8.378 -6.301 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.905 9.029 -5.719 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.679 11.817 -6.963 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.108 11.556 -5.256 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.740 12.614 -5.678 1.00 0.00 H new ATOM 1230 N VAL A 92 -0.004 8.258 -3.499 1.00 0.00 N ATOM 1231 CA VAL A 92 0.354 6.913 -3.174 1.00 0.00 C ATOM 1232 C VAL A 92 -0.707 6.032 -3.740 1.00 0.00 C ATOM 1233 O VAL A 92 -1.802 5.885 -3.199 1.00 0.00 O ATOM 1234 CB VAL A 92 0.536 6.791 -1.691 1.00 0.00 C ATOM 1235 CG1 VAL A 92 0.744 5.325 -1.271 1.00 0.00 C ATOM 1236 CG2 VAL A 92 1.773 7.614 -1.293 1.00 0.00 C ATOM 0 H VAL A 92 -0.907 8.539 -3.116 1.00 0.00 H new ATOM 0 HA VAL A 92 1.307 6.609 -3.607 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.359 7.159 -1.190 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.873 5.271 -0.190 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.126 4.736 -1.563 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.632 4.928 -1.763 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.927 7.541 -0.216 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.650 7.227 -1.812 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.620 8.658 -1.568 1.00 0.00 H new ATOM 1246 N HIS A 93 -0.411 5.429 -4.905 1.00 0.00 N ATOM 1247 CA HIS A 93 -1.180 4.402 -5.536 1.00 0.00 C ATOM 1248 C HIS A 93 -0.818 3.102 -4.904 1.00 0.00 C ATOM 1249 O HIS A 93 0.232 2.537 -5.207 1.00 0.00 O ATOM 1250 CB HIS A 93 -0.912 4.405 -7.051 1.00 0.00 C ATOM 1251 CG HIS A 93 -1.957 3.852 -7.973 1.00 0.00 C ATOM 1252 ND1 HIS A 93 -2.882 4.542 -8.693 1.00 0.00 N flip ATOM 1253 CD2 HIS A 93 -1.944 2.527 -8.356 1.00 0.00 C flip ATOM 1254 CE1 HIS A 93 -3.475 3.625 -9.537 1.00 0.00 C flip ATOM 1255 NE2 HIS A 93 -2.875 2.429 -9.286 1.00 0.00 N flip ATOM 0 H HIS A 93 0.421 5.676 -5.441 1.00 0.00 H new ATOM 0 HA HIS A 93 -2.248 4.572 -5.403 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -0.721 5.436 -7.350 1.00 0.00 H new ATOM 0 HB3 HIS A 93 0.008 3.847 -7.224 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -1.309 1.740 -7.977 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -4.259 3.818 -10.254 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -3.117 1.559 -9.761 1.00 0.00 H new ATOM 1263 N LEU A 94 -1.624 2.611 -3.946 1.00 0.00 N ATOM 1264 CA LEU A 94 -1.386 1.417 -3.198 1.00 0.00 C ATOM 1265 C LEU A 94 -1.943 0.243 -3.927 1.00 0.00 C ATOM 1266 O LEU A 94 -3.158 0.081 -4.035 1.00 0.00 O ATOM 1267 CB LEU A 94 -2.038 1.417 -1.805 1.00 0.00 C ATOM 1268 CG LEU A 94 -1.316 2.175 -0.678 1.00 0.00 C ATOM 1269 CD1 LEU A 94 -1.674 1.542 0.678 1.00 0.00 C ATOM 1270 CD2 LEU A 94 0.218 2.115 -0.771 1.00 0.00 C ATOM 0 H LEU A 94 -2.492 3.075 -3.679 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.304 1.364 -3.078 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.039 1.836 -1.903 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.156 0.380 -1.490 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.640 3.211 -0.775 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.162 2.079 1.477 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.751 1.600 0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.362 0.498 0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.655 2.672 0.058 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.545 1.076 -0.722 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.543 2.554 -1.714 1.00 0.00 H new ATOM 1282 N LEU A 95 -1.069 -0.658 -4.411 1.00 0.00 N ATOM 1283 CA LEU A 95 -1.462 -1.932 -4.927 1.00 0.00 C ATOM 1284 C LEU A 95 -1.548 -2.897 -3.796 1.00 0.00 C ATOM 1285 O LEU A 95 -0.537 -3.394 -3.302 1.00 0.00 O ATOM 1286 CB LEU A 95 -0.442 -2.403 -5.978 1.00 0.00 C ATOM 1287 CG LEU A 95 -1.086 -3.054 -7.213 1.00 0.00 C ATOM 1288 CD1 LEU A 95 0.030 -3.621 -8.106 1.00 0.00 C ATOM 1289 CD2 LEU A 95 -2.121 -4.139 -6.871 1.00 0.00 C ATOM 0 H LEU A 95 -0.063 -0.496 -4.444 1.00 0.00 H new ATOM 0 HA LEU A 95 -2.436 -1.862 -5.411 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.157 -1.551 -6.298 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.240 -3.117 -5.516 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.646 -2.282 -7.741 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.411 -4.087 -8.987 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.694 -2.814 -8.416 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.599 -4.365 -7.549 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.532 -4.553 -7.792 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.640 -4.933 -6.299 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.925 -3.701 -6.279 1.00 0.00 H new ATOM 1301 N LEU A 96 -2.789 -3.142 -3.339 1.00 0.00 N ATOM 1302 CA LEU A 96 -3.135 -3.962 -2.219 1.00 0.00 C ATOM 1303 C LEU A 96 -3.718 -5.257 -2.669 1.00 0.00 C ATOM 1304 O LEU A 96 -4.548 -5.302 -3.575 1.00 0.00 O ATOM 1305 CB LEU A 96 -4.155 -3.244 -1.321 1.00 0.00 C ATOM 1306 CG LEU A 96 -3.561 -2.087 -0.499 1.00 0.00 C ATOM 1307 CD1 LEU A 96 -4.614 -1.007 -0.200 1.00 0.00 C ATOM 1308 CD2 LEU A 96 -2.948 -2.597 0.815 1.00 0.00 C ATOM 0 H LEU A 96 -3.611 -2.736 -3.786 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.221 -4.154 -1.656 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.962 -2.857 -1.943 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.598 -3.970 -0.639 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.772 -1.639 -1.104 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.158 -0.206 0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.996 -0.602 -1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.435 -1.446 0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.536 -1.757 1.374 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.719 -3.086 1.410 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.154 -3.310 0.593 1.00 0.00 H new ATOM 1320 N GLU A 97 -3.307 -6.368 -2.032 1.00 0.00 N ATOM 1321 CA GLU A 97 -3.859 -7.678 -2.181 1.00 0.00 C ATOM 1322 C GLU A 97 -4.618 -8.037 -0.951 1.00 0.00 C ATOM 1323 O GLU A 97 -4.353 -7.548 0.146 1.00 0.00 O ATOM 1324 CB GLU A 97 -2.804 -8.782 -2.371 1.00 0.00 C ATOM 1325 CG GLU A 97 -2.926 -9.514 -3.709 1.00 0.00 C ATOM 1326 CD GLU A 97 -2.308 -10.904 -3.692 1.00 0.00 C ATOM 1327 OE1 GLU A 97 -1.145 -11.082 -3.241 1.00 0.00 O ATOM 1328 OE2 GLU A 97 -2.997 -11.850 -4.158 1.00 0.00 O ATOM 0 H GLU A 97 -2.534 -6.348 -1.366 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.482 -7.631 -3.074 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -1.810 -8.341 -2.295 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.895 -9.505 -1.560 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -3.980 -9.595 -3.976 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.445 -8.919 -4.486 1.00 0.00 H new ATOM 1335 N LYS A 98 -5.545 -9.000 -1.110 1.00 0.00 N ATOM 1336 CA LYS A 98 -6.304 -9.623 -0.071 1.00 0.00 C ATOM 1337 C LYS A 98 -5.553 -10.189 1.086 1.00 0.00 C ATOM 1338 O LYS A 98 -4.584 -10.934 0.953 1.00 0.00 O ATOM 1339 CB LYS A 98 -7.260 -10.649 -0.703 1.00 0.00 C ATOM 1340 CG LYS A 98 -6.722 -12.053 -0.985 1.00 0.00 C ATOM 1341 CD LYS A 98 -5.418 -12.159 -1.779 1.00 0.00 C ATOM 1342 CE LYS A 98 -4.730 -13.505 -1.542 1.00 0.00 C ATOM 1343 NZ LYS A 98 -3.326 -13.517 -2.009 1.00 0.00 N ATOM 0 H LYS A 98 -5.779 -9.368 -2.032 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.852 -8.812 0.409 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.125 -10.748 -0.047 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.620 -10.234 -1.644 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -6.577 -12.557 -0.029 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.491 -12.607 -1.524 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.626 -12.037 -2.842 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.747 -11.350 -1.490 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.757 -13.740 -0.478 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -5.287 -14.289 -2.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -2.965 -14.492 -1.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -3.279 -13.140 -2.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -2.746 -12.927 -1.379 1.00 0.00 H new ATOM 1357 N GLY A 99 -5.987 -9.876 2.321 1.00 0.00 N ATOM 1358 CA GLY A 99 -5.515 -10.504 3.515 1.00 0.00 C ATOM 1359 C GLY A 99 -6.324 -11.682 3.940 1.00 0.00 C ATOM 1360 O GLY A 99 -6.223 -12.163 5.067 1.00 0.00 O ATOM 0 H GLY A 99 -6.692 -9.159 2.493 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.483 -10.820 3.364 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -5.509 -9.770 4.321 1.00 0.00 H new ATOM 1364 N GLN A 100 -7.176 -12.178 3.026 1.00 0.00 N ATOM 1365 CA GLN A 100 -8.100 -13.252 3.222 1.00 0.00 C ATOM 1366 C GLN A 100 -7.684 -14.435 2.418 1.00 0.00 C ATOM 1367 O GLN A 100 -7.553 -14.357 1.197 1.00 0.00 O ATOM 1368 CB GLN A 100 -9.501 -12.765 2.817 1.00 0.00 C ATOM 1369 CG GLN A 100 -10.652 -13.699 3.192 1.00 0.00 C ATOM 1370 CD GLN A 100 -11.965 -13.018 2.830 1.00 0.00 C ATOM 1371 OE1 GLN A 100 -12.477 -13.159 1.720 1.00 0.00 O ATOM 1372 NE2 GLN A 100 -12.502 -12.196 3.772 1.00 0.00 N ATOM 0 H GLN A 100 -7.222 -11.800 2.080 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.116 -13.556 4.269 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -9.678 -11.794 3.280 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -9.516 -12.612 1.738 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -10.558 -14.647 2.662 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -10.624 -13.925 4.258 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -12.052 -12.102 4.683 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -13.354 -11.674 3.567 1.00 0.00 H new ATOM 1381 N VAL A 101 -7.443 -15.595 3.054 1.00 0.00 N ATOM 1382 CA VAL A 101 -6.889 -16.745 2.409 1.00 0.00 C ATOM 1383 C VAL A 101 -7.860 -17.463 1.536 1.00 0.00 C ATOM 1384 O VAL A 101 -9.061 -17.333 1.762 1.00 0.00 O ATOM 1385 CB VAL A 101 -6.290 -17.701 3.397 1.00 0.00 C ATOM 1386 CG1 VAL A 101 -5.057 -17.047 4.043 1.00 0.00 C ATOM 1387 CG2 VAL A 101 -7.302 -18.146 4.464 1.00 0.00 C ATOM 0 H VAL A 101 -7.639 -15.737 4.045 1.00 0.00 H new ATOM 0 HA VAL A 101 -6.101 -16.357 1.764 1.00 0.00 H new ATOM 0 HB VAL A 101 -5.991 -18.604 2.865 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.615 -17.736 4.763 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.325 -16.810 3.271 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.356 -16.131 4.553 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.821 -18.837 5.156 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.660 -17.274 5.012 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -8.144 -18.642 3.982 1.00 0.00 H new ATOM 1397 N PRO A 102 -7.487 -18.199 0.531 1.00 0.00 N ATOM 1398 CA PRO A 102 -8.394 -19.057 -0.176 1.00 0.00 C ATOM 1399 C PRO A 102 -8.848 -20.227 0.627 1.00 0.00 C ATOM 1400 O PRO A 102 -8.088 -20.707 1.511 1.00 0.00 O ATOM 1401 CB PRO A 102 -7.620 -19.531 -1.405 1.00 0.00 C ATOM 1402 CG PRO A 102 -6.572 -18.429 -1.633 1.00 0.00 C ATOM 1403 CD PRO A 102 -6.233 -18.030 -0.187 1.00 0.00 C ATOM 1404 OXT PRO A 102 -9.971 -20.740 0.379 1.00 0.00 O ATOM 0 HA PRO A 102 -9.305 -18.513 -0.424 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -7.150 -20.499 -1.232 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -8.274 -19.645 -2.269 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -5.700 -18.797 -2.173 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.973 -17.593 -2.207 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -5.448 -18.663 0.227 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -5.877 -17.001 -0.130 1.00 0.00 H new TER 1412 PRO A 102 ATOM 1413 N TYR B 205 11.942 -2.383 14.953 1.00 0.00 N ATOM 1414 CA TYR B 205 11.082 -1.343 15.428 1.00 0.00 C ATOM 1415 C TYR B 205 9.659 -1.713 15.192 1.00 0.00 C ATOM 1416 O TYR B 205 8.838 -1.716 16.109 1.00 0.00 O ATOM 1417 CB TYR B 205 11.440 -0.025 14.720 1.00 0.00 C ATOM 1418 CG TYR B 205 11.317 1.154 15.624 1.00 0.00 C ATOM 1419 CD1 TYR B 205 10.135 1.846 15.738 1.00 0.00 C ATOM 1420 CD2 TYR B 205 12.420 1.586 16.322 1.00 0.00 C ATOM 1421 CE1 TYR B 205 10.058 2.968 16.530 1.00 0.00 C ATOM 1422 CE2 TYR B 205 12.352 2.710 17.111 1.00 0.00 C ATOM 1423 CZ TYR B 205 11.171 3.408 17.205 1.00 0.00 C ATOM 1424 OH TYR B 205 11.117 4.583 17.984 1.00 0.00 O ATOM 0 HA TYR B 205 11.219 -1.209 16.501 1.00 0.00 H new ATOM 0 HB2 TYR B 205 12.460 -0.084 14.341 1.00 0.00 H new ATOM 0 HB3 TYR B 205 10.787 0.111 13.858 1.00 0.00 H new ATOM 0 HD1 TYR B 205 9.261 1.507 15.202 1.00 0.00 H new ATOM 0 HD2 TYR B 205 13.348 1.038 16.250 1.00 0.00 H new ATOM 0 HE1 TYR B 205 9.124 3.502 16.621 1.00 0.00 H new ATOM 0 HE2 TYR B 205 13.223 3.044 17.655 1.00 0.00 H new ATOM 0 HH TYR B 205 11.993 4.746 18.392 1.00 0.00 H new ATOM 1434 N LEU B 206 9.328 -2.024 13.926 1.00 0.00 N ATOM 1435 CA LEU B 206 8.019 -2.245 13.395 1.00 0.00 C ATOM 1436 C LEU B 206 7.101 -1.075 13.487 1.00 0.00 C ATOM 1437 O LEU B 206 7.467 -0.007 13.976 1.00 0.00 O ATOM 1438 CB LEU B 206 7.370 -3.517 13.965 1.00 0.00 C ATOM 1439 CG LEU B 206 6.451 -4.335 13.043 1.00 0.00 C ATOM 1440 CD1 LEU B 206 7.247 -4.973 11.892 1.00 0.00 C ATOM 1441 CD2 LEU B 206 5.815 -5.438 13.906 1.00 0.00 C ATOM 0 H LEU B 206 10.046 -2.130 13.209 1.00 0.00 H new ATOM 0 HA LEU B 206 8.182 -2.394 12.328 1.00 0.00 H new ATOM 0 HB2 LEU B 206 8.169 -4.174 14.308 1.00 0.00 H new ATOM 0 HB3 LEU B 206 6.792 -3.232 14.844 1.00 0.00 H new ATOM 0 HG LEU B 206 5.694 -3.688 12.598 1.00 0.00 H new ATOM 0 HD11 LEU B 206 6.572 -5.545 11.256 1.00 0.00 H new ATOM 0 HD12 LEU B 206 7.725 -4.190 11.302 1.00 0.00 H new ATOM 0 HD13 LEU B 206 8.010 -5.636 12.301 1.00 0.00 H new ATOM 0 HD21 LEU B 206 5.152 -6.045 13.290 1.00 0.00 H new ATOM 0 HD22 LEU B 206 6.599 -6.068 14.326 1.00 0.00 H new ATOM 0 HD23 LEU B 206 5.243 -4.983 14.714 1.00 0.00 H new ATOM 1453 N VAL B 207 5.863 -1.250 12.992 1.00 0.00 N ATOM 1454 CA VAL B 207 4.713 -0.403 13.074 1.00 0.00 C ATOM 1455 C VAL B 207 4.961 1.067 13.085 1.00 0.00 C ATOM 1456 O VAL B 207 5.143 1.728 14.106 1.00 0.00 O ATOM 1457 CB VAL B 207 3.641 -0.857 14.021 1.00 0.00 C ATOM 1458 CG1 VAL B 207 2.996 -2.115 13.417 1.00 0.00 C ATOM 1459 CG2 VAL B 207 4.198 -1.122 15.430 1.00 0.00 C ATOM 0 H VAL B 207 5.645 -2.097 12.467 1.00 0.00 H new ATOM 0 HA VAL B 207 4.278 -0.558 12.087 1.00 0.00 H new ATOM 0 HB VAL B 207 2.893 -0.074 14.144 1.00 0.00 H new ATOM 0 HG11 VAL B 207 2.209 -2.475 14.080 1.00 0.00 H new ATOM 0 HG12 VAL B 207 2.568 -1.873 12.444 1.00 0.00 H new ATOM 0 HG13 VAL B 207 3.753 -2.890 13.298 1.00 0.00 H new ATOM 0 HG21 VAL B 207 3.390 -1.449 16.085 1.00 0.00 H new ATOM 0 HG22 VAL B 207 4.961 -1.899 15.379 1.00 0.00 H new ATOM 0 HG23 VAL B 207 4.638 -0.207 15.825 1.00 0.00 H new ATOM 1469 N THR B 208 4.988 1.610 11.855 1.00 0.00 N ATOM 1470 CA THR B 208 5.373 2.956 11.570 1.00 0.00 C ATOM 1471 C THR B 208 4.188 3.464 10.822 1.00 0.00 C ATOM 1472 O THR B 208 3.812 2.872 9.813 1.00 0.00 O ATOM 1473 CB THR B 208 6.568 3.070 10.670 1.00 0.00 C ATOM 1474 OG1 THR B 208 7.680 2.376 11.214 1.00 0.00 O ATOM 1475 CG2 THR B 208 7.000 4.534 10.479 1.00 0.00 C ATOM 0 H THR B 208 4.729 1.085 11.020 1.00 0.00 H new ATOM 0 HA THR B 208 5.644 3.487 12.482 1.00 0.00 H new ATOM 0 HB THR B 208 6.270 2.640 9.714 1.00 0.00 H new ATOM 0 HG1 THR B 208 7.894 1.605 10.648 1.00 0.00 H new ATOM 0 HG21 THR B 208 7.868 4.574 9.821 1.00 0.00 H new ATOM 0 HG22 THR B 208 6.181 5.100 10.034 1.00 0.00 H new ATOM 0 HG23 THR B 208 7.257 4.967 11.446 1.00 0.00 H new ATOM 1483 N SER B 209 3.568 4.541 11.336 1.00 0.00 N ATOM 1484 CA SER B 209 2.543 5.284 10.668 1.00 0.00 C ATOM 1485 C SER B 209 3.136 6.064 9.545 1.00 0.00 C ATOM 1486 O SER B 209 4.056 6.861 9.727 1.00 0.00 O ATOM 1487 CB SER B 209 1.763 6.210 11.615 1.00 0.00 C ATOM 1488 OG SER B 209 2.584 7.171 12.263 1.00 0.00 O ATOM 0 H SER B 209 3.791 4.911 12.260 1.00 0.00 H new ATOM 0 HA SER B 209 1.824 4.564 10.277 1.00 0.00 H new ATOM 0 HB2 SER B 209 0.988 6.727 11.050 1.00 0.00 H new ATOM 0 HB3 SER B 209 1.258 5.606 12.369 1.00 0.00 H new ATOM 0 HG SER B 209 3.354 7.380 11.694 1.00 0.00 H new ATOM 1494 N VAL B 210 2.655 5.813 8.315 1.00 0.00 N ATOM 1495 CA VAL B 210 3.145 6.426 7.119 1.00 0.00 C ATOM 1496 C VAL B 210 1.920 6.465 6.218 1.00 0.00 C ATOM 1497 O VAL B 210 0.873 5.828 6.511 1.00 0.00 O ATOM 1498 CB VAL B 210 4.396 5.806 6.572 1.00 0.00 C ATOM 1499 CG1 VAL B 210 4.698 4.403 7.125 1.00 0.00 C ATOM 1500 CG2 VAL B 210 4.484 5.793 5.036 1.00 0.00 C ATOM 1501 OXT VAL B 210 1.975 7.271 5.251 1.00 0.00 O ATOM 0 H VAL B 210 1.893 5.156 8.146 1.00 0.00 H new ATOM 0 HA VAL B 210 3.532 7.434 7.268 1.00 0.00 H new ATOM 0 HB VAL B 210 5.170 6.482 6.937 1.00 0.00 H new ATOM 0 HG11 VAL B 210 5.619 4.026 6.679 1.00 0.00 H new ATOM 0 HG12 VAL B 210 4.814 4.456 8.207 1.00 0.00 H new ATOM 0 HG13 VAL B 210 3.875 3.731 6.881 1.00 0.00 H new ATOM 0 HG21 VAL B 210 5.420 5.327 4.729 1.00 0.00 H new ATOM 0 HG22 VAL B 210 3.646 5.227 4.628 1.00 0.00 H new ATOM 0 HG23 VAL B 210 4.448 6.816 4.661 1.00 0.00 H new TER 1511 VAL B 210