USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 712 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 68 MET CE :methyl -148:sc= -0.328 (180deg=-1.57!) USER MOD Set 1.2: A 72 GLN : amide:sc= -0.0644 X(o=-0.39,f=-0.34) USER MOD Set 2.1: A 7 SER OG : rot -170:sc= -1.48 USER MOD Set 2.2: A 56 GLN : amide:sc= -7.21! C(o=-8.7!,f=-6!) USER MOD Set 3.1: A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 81 GLN : amide:sc= -3.33! C(o=-3.3!,f=-5.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 142:sc= 0.0217 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -159:sc=-0.00907 (180deg=-0.196) USER MOD Single : A 6 SER OG : rot 180:sc= -0.291 USER MOD Single : A 19 THR OG1 : rot -149:sc= 0.416 USER MOD Single : A 21 MET CE :methyl -160:sc= -6.95! (180deg=-9.05!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -54:sc= 1.04 USER MOD Single : A 32 GLN : amide:sc= 0.0346 K(o=0.035,f=-0.51) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0.00508 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -5.44! C(o=-5.4!,f=-7.3!) USER MOD Single : A 57 CYS SG : rot 12:sc= 0.545 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -70:sc= -0.258 USER MOD Single : A 74 THR OG1 : rot -35:sc= 0.627 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 67:sc= 0.945 USER MOD Single : A 83 MET CE :methyl 163:sc= -0.288 (180deg=-1.31) USER MOD Single : A 89 ASN : amide:sc= 0 K(o=0,f=0.75) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.623 6.423 7.872 1.00 0.00 N ATOM 2 CA MET A 1 13.299 5.219 8.612 1.00 0.00 C ATOM 3 C MET A 1 12.001 4.622 8.087 1.00 0.00 C ATOM 4 O MET A 1 11.046 5.366 7.873 1.00 0.00 O ATOM 5 CB MET A 1 13.177 5.553 10.095 1.00 0.00 C ATOM 6 CG MET A 1 14.520 5.321 10.782 1.00 0.00 C ATOM 7 SD MET A 1 14.555 5.825 12.520 1.00 0.00 S ATOM 8 CE MET A 1 15.056 4.254 13.266 1.00 0.00 C ATOM 0 H1 MET A 1 14.026 7.130 8.519 1.00 0.00 H new ATOM 0 H2 MET A 1 14.316 6.198 7.129 1.00 0.00 H new ATOM 0 H3 MET A 1 12.760 6.805 7.436 1.00 0.00 H new ATOM 0 HA MET A 1 14.093 4.484 8.481 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.867 6.590 10.221 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.409 4.933 10.556 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.772 4.263 10.716 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.293 5.867 10.240 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.131 4.372 14.347 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.315 3.489 13.035 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.024 3.954 12.866 1.00 0.00 H new ATOM 20 N LEU A 2 11.990 3.312 7.891 1.00 0.00 N ATOM 21 CA LEU A 2 10.801 2.640 7.392 1.00 0.00 C ATOM 22 C LEU A 2 10.408 3.245 6.042 1.00 0.00 C ATOM 23 O LEU A 2 9.772 4.296 5.991 1.00 0.00 O ATOM 24 CB LEU A 2 9.682 2.684 8.435 1.00 0.00 C ATOM 25 CG LEU A 2 9.643 1.520 9.426 1.00 0.00 C ATOM 26 CD1 LEU A 2 9.372 0.197 8.706 1.00 0.00 C ATOM 27 CD2 LEU A 2 10.925 1.465 10.260 1.00 0.00 C ATOM 0 H LEU A 2 12.785 2.698 8.068 1.00 0.00 H new ATOM 0 HA LEU A 2 11.004 1.583 7.222 1.00 0.00 H new ATOM 0 HB2 LEU A 2 9.774 3.612 8.999 1.00 0.00 H new ATOM 0 HB3 LEU A 2 8.726 2.722 7.912 1.00 0.00 H new ATOM 0 HG LEU A 2 8.817 1.688 10.117 1.00 0.00 H new ATOM 0 HD11 LEU A 2 9.349 -0.615 9.433 1.00 0.00 H new ATOM 0 HD12 LEU A 2 8.412 0.252 8.193 1.00 0.00 H new ATOM 0 HD13 LEU A 2 10.162 0.010 7.978 1.00 0.00 H new ATOM 0 HD21 LEU A 2 10.870 0.628 10.956 1.00 0.00 H new ATOM 0 HD22 LEU A 2 11.783 1.333 9.600 1.00 0.00 H new ATOM 0 HD23 LEU A 2 11.036 2.395 10.818 1.00 0.00 H new ATOM 39 N VAL A 3 10.803 2.554 4.983 1.00 0.00 N ATOM 40 CA VAL A 3 10.500 3.010 3.637 1.00 0.00 C ATOM 41 C VAL A 3 10.437 1.804 2.697 1.00 0.00 C ATOM 42 O VAL A 3 10.754 0.685 3.095 1.00 0.00 O ATOM 43 CB VAL A 3 11.524 4.058 3.197 1.00 0.00 C ATOM 44 CG1 VAL A 3 12.753 3.395 2.569 1.00 0.00 C ATOM 45 CG2 VAL A 3 10.896 5.068 2.234 1.00 0.00 C ATOM 0 H VAL A 3 11.330 1.682 5.030 1.00 0.00 H new ATOM 0 HA VAL A 3 9.525 3.496 3.608 1.00 0.00 H new ATOM 0 HB VAL A 3 11.851 4.599 4.085 1.00 0.00 H new ATOM 0 HG11 VAL A 3 13.465 4.162 2.265 1.00 0.00 H new ATOM 0 HG12 VAL A 3 13.222 2.733 3.297 1.00 0.00 H new ATOM 0 HG13 VAL A 3 12.449 2.817 1.697 1.00 0.00 H new ATOM 0 HG21 VAL A 3 11.645 5.802 1.937 1.00 0.00 H new ATOM 0 HG22 VAL A 3 10.527 4.547 1.350 1.00 0.00 H new ATOM 0 HG23 VAL A 3 10.067 5.575 2.728 1.00 0.00 H new ATOM 55 N ALA A 4 10.024 2.074 1.467 1.00 0.00 N ATOM 56 CA ALA A 4 9.914 1.026 0.467 1.00 0.00 C ATOM 57 C ALA A 4 8.667 0.185 0.751 1.00 0.00 C ATOM 58 O ALA A 4 8.762 -0.893 1.335 1.00 0.00 O ATOM 59 CB ALA A 4 11.194 0.188 0.464 1.00 0.00 C ATOM 0 H ALA A 4 9.761 3.004 1.141 1.00 0.00 H new ATOM 0 HA ALA A 4 9.802 1.455 -0.529 1.00 0.00 H new ATOM 0 HB1 ALA A 4 11.112 -0.599 -0.286 1.00 0.00 H new ATOM 0 HB2 ALA A 4 12.046 0.826 0.229 1.00 0.00 H new ATOM 0 HB3 ALA A 4 11.337 -0.261 1.447 1.00 0.00 H new ATOM 65 N LYS A 5 7.529 0.711 0.324 1.00 0.00 N ATOM 66 CA LYS A 5 6.265 0.023 0.524 1.00 0.00 C ATOM 67 C LYS A 5 5.825 -0.619 -0.793 1.00 0.00 C ATOM 68 O LYS A 5 6.440 -0.395 -1.834 1.00 0.00 O ATOM 69 CB LYS A 5 5.227 0.972 1.124 1.00 0.00 C ATOM 70 CG LYS A 5 5.528 1.255 2.597 1.00 0.00 C ATOM 71 CD LYS A 5 5.122 0.072 3.477 1.00 0.00 C ATOM 72 CE LYS A 5 4.304 0.539 4.682 1.00 0.00 C ATOM 73 NZ LYS A 5 5.081 1.503 5.493 1.00 0.00 N ATOM 0 H LYS A 5 7.456 1.606 -0.160 1.00 0.00 H new ATOM 0 HA LYS A 5 6.380 -0.783 1.248 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.219 1.908 0.565 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.233 0.535 1.030 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.592 1.457 2.722 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.994 2.150 2.916 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.539 -0.638 2.891 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.013 -0.453 3.820 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.378 1.003 4.343 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.025 -0.319 5.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.691 1.540 6.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.075 1.201 5.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.023 2.447 5.060 1.00 0.00 H new ATOM 87 N SER A 6 4.760 -1.405 -0.705 1.00 0.00 N ATOM 88 CA SER A 6 4.230 -2.080 -1.877 1.00 0.00 C ATOM 89 C SER A 6 2.742 -2.379 -1.680 1.00 0.00 C ATOM 90 O SER A 6 2.227 -2.274 -0.568 1.00 0.00 O ATOM 91 CB SER A 6 4.997 -3.372 -2.163 1.00 0.00 C ATOM 92 OG SER A 6 4.428 -4.103 -3.246 1.00 0.00 O ATOM 0 H SER A 6 4.251 -1.589 0.160 1.00 0.00 H new ATOM 0 HA SER A 6 4.352 -1.420 -2.736 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.036 -3.134 -2.393 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.003 -3.995 -1.269 1.00 0.00 H new ATOM 0 HG SER A 6 4.947 -4.920 -3.398 1.00 0.00 H new ATOM 98 N SER A 7 2.094 -2.743 -2.777 1.00 0.00 N ATOM 99 CA SER A 7 0.676 -3.057 -2.738 1.00 0.00 C ATOM 100 C SER A 7 0.459 -4.537 -3.063 1.00 0.00 C ATOM 101 O SER A 7 1.204 -5.119 -3.849 1.00 0.00 O ATOM 102 CB SER A 7 -0.109 -2.179 -3.715 1.00 0.00 C ATOM 103 OG SER A 7 -1.430 -1.915 -3.251 1.00 0.00 O ATOM 0 H SER A 7 2.525 -2.827 -3.698 1.00 0.00 H new ATOM 0 HA SER A 7 0.308 -2.854 -1.732 1.00 0.00 H new ATOM 0 HB2 SER A 7 0.419 -1.237 -3.861 1.00 0.00 H new ATOM 0 HB3 SER A 7 -0.157 -2.671 -4.686 1.00 0.00 H new ATOM 0 HG SER A 7 -1.949 -1.490 -3.965 1.00 0.00 H new ATOM 109 N ILE A 8 -0.565 -5.102 -2.442 1.00 0.00 N ATOM 110 CA ILE A 8 -0.889 -6.502 -2.654 1.00 0.00 C ATOM 111 C ILE A 8 -2.409 -6.682 -2.605 1.00 0.00 C ATOM 112 O ILE A 8 -2.998 -6.718 -1.527 1.00 0.00 O ATOM 113 CB ILE A 8 -0.133 -7.384 -1.659 1.00 0.00 C ATOM 114 CG1 ILE A 8 1.377 -7.169 -1.773 1.00 0.00 C ATOM 115 CG2 ILE A 8 -0.517 -8.856 -1.829 1.00 0.00 C ATOM 116 CD1 ILE A 8 1.819 -5.948 -0.966 1.00 0.00 C ATOM 0 H ILE A 8 -1.182 -4.615 -1.791 1.00 0.00 H new ATOM 0 HA ILE A 8 -0.561 -6.824 -3.642 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.425 -7.089 -0.651 1.00 0.00 H new ATOM 0 HG12 ILE A 8 1.902 -8.055 -1.416 1.00 0.00 H new ATOM 0 HG13 ILE A 8 1.651 -7.036 -2.820 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.035 -9.461 -1.110 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.587 -8.975 -1.658 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -0.272 -9.181 -2.840 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.897 -5.818 -1.064 1.00 0.00 H new ATOM 0 HD12 ILE A 8 1.310 -5.060 -1.342 1.00 0.00 H new ATOM 0 HD13 ILE A 8 1.565 -6.095 0.084 1.00 0.00 H new ATOM 128 N LEU A 9 -2.998 -6.791 -3.787 1.00 0.00 N ATOM 129 CA LEU A 9 -4.437 -6.967 -3.891 1.00 0.00 C ATOM 130 C LEU A 9 -4.773 -8.455 -3.780 1.00 0.00 C ATOM 131 O LEU A 9 -4.159 -9.286 -4.446 1.00 0.00 O ATOM 132 CB LEU A 9 -4.964 -6.311 -5.169 1.00 0.00 C ATOM 133 CG LEU A 9 -6.457 -5.976 -5.184 1.00 0.00 C ATOM 134 CD1 LEU A 9 -6.738 -4.690 -4.405 1.00 0.00 C ATOM 135 CD2 LEU A 9 -6.989 -5.906 -6.617 1.00 0.00 C ATOM 0 H LEU A 9 -2.506 -6.761 -4.680 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.944 -6.463 -3.068 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.404 -5.392 -5.340 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.752 -6.974 -6.008 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.993 -6.781 -4.681 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.806 -4.475 -4.431 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.418 -4.814 -3.370 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.190 -3.863 -4.857 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.052 -5.666 -6.599 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.452 -5.133 -7.167 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.842 -6.868 -7.107 1.00 0.00 H new ATOM 147 N LEU A 10 -5.750 -8.745 -2.933 1.00 0.00 N ATOM 148 CA LEU A 10 -6.177 -10.119 -2.725 1.00 0.00 C ATOM 149 C LEU A 10 -7.658 -10.247 -3.082 1.00 0.00 C ATOM 150 O LEU A 10 -8.408 -9.276 -2.994 1.00 0.00 O ATOM 151 CB LEU A 10 -5.844 -10.574 -1.302 1.00 0.00 C ATOM 152 CG LEU A 10 -4.431 -11.115 -1.083 1.00 0.00 C ATOM 153 CD1 LEU A 10 -3.394 -9.995 -1.175 1.00 0.00 C ATOM 154 CD2 LEU A 10 -4.334 -11.878 0.239 1.00 0.00 C ATOM 0 H LEU A 10 -6.258 -8.052 -2.383 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.631 -10.793 -3.385 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.997 -9.732 -0.628 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.556 -11.347 -1.013 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.210 -11.824 -1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.398 -10.408 -1.015 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.442 -9.535 -2.162 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.602 -9.243 -0.413 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.319 -12.252 0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.584 -11.210 1.064 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.031 -12.716 0.227 1.00 0.00 H new ATOM 166 N ASP A 11 -8.037 -11.455 -3.478 1.00 0.00 N ATOM 167 CA ASP A 11 -9.415 -11.723 -3.847 1.00 0.00 C ATOM 168 C ASP A 11 -9.850 -13.061 -3.246 1.00 0.00 C ATOM 169 O ASP A 11 -9.179 -14.076 -3.434 1.00 0.00 O ATOM 170 CB ASP A 11 -9.569 -11.815 -5.367 1.00 0.00 C ATOM 171 CG ASP A 11 -10.628 -10.888 -5.967 1.00 0.00 C ATOM 172 OD1 ASP A 11 -11.457 -10.314 -5.246 1.00 0.00 O ATOM 173 OD2 ASP A 11 -10.581 -10.765 -7.250 1.00 0.00 O ATOM 0 H ASP A 11 -7.412 -12.258 -3.551 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.030 -10.906 -3.470 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -8.608 -11.590 -5.829 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -9.817 -12.843 -5.630 1.00 0.00 H new ATOM 178 N VAL A 12 -10.967 -13.020 -2.537 1.00 0.00 N ATOM 179 CA VAL A 12 -11.498 -14.216 -1.907 1.00 0.00 C ATOM 180 C VAL A 12 -12.903 -14.491 -2.447 1.00 0.00 C ATOM 181 O VAL A 12 -13.621 -13.564 -2.819 1.00 0.00 O ATOM 182 CB VAL A 12 -11.462 -14.067 -0.384 1.00 0.00 C ATOM 183 CG1 VAL A 12 -12.029 -15.311 0.302 1.00 0.00 C ATOM 184 CG2 VAL A 12 -10.042 -13.770 0.103 1.00 0.00 C ATOM 0 H VAL A 12 -11.520 -12.176 -2.384 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.881 -15.081 -2.150 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.093 -13.220 -0.114 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.992 -15.179 1.383 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.063 -15.459 -0.010 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.437 -16.182 0.022 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.043 -13.669 1.188 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.380 -14.587 -0.184 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.689 -12.842 -0.348 1.00 0.00 H new ATOM 194 N LYS A 13 -13.254 -15.769 -2.473 1.00 0.00 N ATOM 195 CA LYS A 13 -14.560 -16.177 -2.962 1.00 0.00 C ATOM 196 C LYS A 13 -15.371 -16.766 -1.805 1.00 0.00 C ATOM 197 O LYS A 13 -14.916 -17.687 -1.129 1.00 0.00 O ATOM 198 CB LYS A 13 -14.414 -17.123 -4.154 1.00 0.00 C ATOM 199 CG LYS A 13 -15.679 -17.119 -5.016 1.00 0.00 C ATOM 200 CD LYS A 13 -16.543 -18.349 -4.729 1.00 0.00 C ATOM 201 CE LYS A 13 -17.809 -18.342 -5.587 1.00 0.00 C ATOM 202 NZ LYS A 13 -17.537 -18.931 -6.917 1.00 0.00 N ATOM 0 H LYS A 13 -12.656 -16.535 -2.163 1.00 0.00 H new ATOM 0 HA LYS A 13 -15.114 -15.315 -3.335 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -13.557 -16.823 -4.758 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -14.215 -18.134 -3.798 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -16.253 -16.213 -4.821 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -15.404 -17.101 -6.071 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -15.970 -19.255 -4.928 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -16.815 -18.369 -3.674 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -18.597 -18.906 -5.087 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -18.172 -17.321 -5.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -18.407 -18.918 -7.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -16.800 -18.377 -7.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -17.212 -19.912 -6.802 1.00 0.00 H new ATOM 216 N PRO A 14 -16.589 -16.194 -1.609 1.00 0.00 N ATOM 217 CA PRO A 14 -17.468 -16.653 -0.545 1.00 0.00 C ATOM 218 C PRO A 14 -18.115 -17.990 -0.908 1.00 0.00 C ATOM 219 O PRO A 14 -18.594 -18.170 -2.027 1.00 0.00 O ATOM 220 CB PRO A 14 -18.479 -15.534 -0.361 1.00 0.00 C ATOM 221 CG PRO A 14 -18.417 -14.702 -1.632 1.00 0.00 C ATOM 222 CD PRO A 14 -17.160 -15.101 -2.389 1.00 0.00 C ATOM 0 HA PRO A 14 -16.936 -16.848 0.386 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -19.481 -15.935 -0.205 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -18.238 -14.930 0.513 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -19.302 -14.874 -2.244 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -18.397 -13.639 -1.392 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -17.394 -15.420 -3.405 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -16.464 -14.266 -2.469 1.00 0.00 H new ATOM 230 N TRP A 15 -18.110 -18.896 0.059 1.00 0.00 N ATOM 231 CA TRP A 15 -18.691 -20.212 -0.144 1.00 0.00 C ATOM 232 C TRP A 15 -20.081 -20.026 -0.755 1.00 0.00 C ATOM 233 O TRP A 15 -20.512 -20.827 -1.583 1.00 0.00 O ATOM 234 CB TRP A 15 -18.714 -21.009 1.161 1.00 0.00 C ATOM 235 CG TRP A 15 -17.472 -21.875 1.384 1.00 0.00 C ATOM 236 CD1 TRP A 15 -16.574 -21.790 2.375 1.00 0.00 C ATOM 237 CD2 TRP A 15 -17.026 -22.967 0.553 1.00 0.00 C ATOM 238 NE1 TRP A 15 -15.585 -22.744 2.243 1.00 0.00 N ATOM 239 CE2 TRP A 15 -15.868 -23.482 1.100 1.00 0.00 C ATOM 240 CE3 TRP A 15 -17.582 -23.502 -0.623 1.00 0.00 C ATOM 241 CZ2 TRP A 15 -15.168 -24.558 0.540 1.00 0.00 C ATOM 242 CZ3 TRP A 15 -16.869 -24.576 -1.170 1.00 0.00 C ATOM 243 CH2 TRP A 15 -15.703 -25.107 -0.631 1.00 0.00 C ATOM 0 H TRP A 15 -17.712 -18.744 0.986 1.00 0.00 H new ATOM 0 HA TRP A 15 -18.083 -20.799 -0.833 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -18.816 -20.316 1.996 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -19.596 -21.649 1.168 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -16.618 -21.067 3.176 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -14.792 -22.882 2.869 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -18.487 -23.115 -1.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -14.264 -24.943 0.988 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -17.252 -25.024 -2.075 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -15.212 -25.939 -1.114 1.00 0.00 H new ATOM 254 N ASP A 16 -20.746 -18.964 -0.323 1.00 0.00 N ATOM 255 CA ASP A 16 -22.078 -18.663 -0.817 1.00 0.00 C ATOM 256 C ASP A 16 -22.462 -17.242 -0.400 1.00 0.00 C ATOM 257 O ASP A 16 -21.656 -16.524 0.190 1.00 0.00 O ATOM 258 CB ASP A 16 -23.114 -19.624 -0.229 1.00 0.00 C ATOM 259 CG ASP A 16 -23.471 -20.813 -1.123 1.00 0.00 C ATOM 260 OD1 ASP A 16 -24.008 -20.503 -2.254 1.00 0.00 O ATOM 261 OD2 ASP A 16 -23.248 -21.977 -0.757 1.00 0.00 O ATOM 0 H ASP A 16 -20.386 -18.301 0.364 1.00 0.00 H new ATOM 0 HA ASP A 16 -22.066 -18.765 -1.902 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -22.738 -20.003 0.721 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -24.024 -19.065 -0.012 1.00 0.00 H new ATOM 266 N ASP A 17 -23.695 -16.877 -0.722 1.00 0.00 N ATOM 267 CA ASP A 17 -24.196 -15.555 -0.389 1.00 0.00 C ATOM 268 C ASP A 17 -24.308 -15.425 1.132 1.00 0.00 C ATOM 269 O ASP A 17 -24.326 -14.316 1.664 1.00 0.00 O ATOM 270 CB ASP A 17 -25.585 -15.325 -0.987 1.00 0.00 C ATOM 271 CG ASP A 17 -26.752 -15.629 -0.046 1.00 0.00 C ATOM 272 OD1 ASP A 17 -26.970 -14.922 0.950 1.00 0.00 O ATOM 273 OD2 ASP A 17 -27.466 -16.653 -0.374 1.00 0.00 O ATOM 0 H ASP A 17 -24.362 -17.475 -1.210 1.00 0.00 H new ATOM 0 HA ASP A 17 -23.502 -14.819 -0.796 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -25.658 -14.286 -1.309 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -25.687 -15.943 -1.879 1.00 0.00 H new ATOM 278 N GLU A 18 -24.382 -16.573 1.788 1.00 0.00 N ATOM 279 CA GLU A 18 -24.492 -16.602 3.236 1.00 0.00 C ATOM 280 C GLU A 18 -23.213 -16.059 3.877 1.00 0.00 C ATOM 281 O GLU A 18 -23.268 -15.370 4.894 1.00 0.00 O ATOM 282 CB GLU A 18 -24.797 -18.017 3.734 1.00 0.00 C ATOM 283 CG GLU A 18 -23.517 -18.849 3.840 1.00 0.00 C ATOM 284 CD GLU A 18 -23.835 -20.298 4.214 1.00 0.00 C ATOM 285 OE1 GLU A 18 -24.873 -20.833 3.796 1.00 0.00 O ATOM 286 OE2 GLU A 18 -22.959 -20.871 4.967 1.00 0.00 O ATOM 0 H GLU A 18 -24.368 -17.491 1.343 1.00 0.00 H new ATOM 0 HA GLU A 18 -25.323 -15.961 3.531 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -25.284 -17.967 4.708 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -25.496 -18.503 3.053 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -22.983 -18.824 2.890 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -22.856 -18.413 4.589 1.00 0.00 H new ATOM 293 N THR A 19 -22.092 -16.390 3.254 1.00 0.00 N ATOM 294 CA THR A 19 -20.800 -15.945 3.751 1.00 0.00 C ATOM 295 C THR A 19 -20.822 -14.437 4.013 1.00 0.00 C ATOM 296 O THR A 19 -20.608 -13.641 3.100 1.00 0.00 O ATOM 297 CB THR A 19 -19.732 -16.370 2.742 1.00 0.00 C ATOM 298 OG1 THR A 19 -19.493 -17.742 3.048 1.00 0.00 O ATOM 299 CG2 THR A 19 -18.386 -15.691 2.994 1.00 0.00 C ATOM 0 H THR A 19 -22.051 -16.961 2.410 1.00 0.00 H new ATOM 0 HA THR A 19 -20.564 -16.408 4.709 1.00 0.00 H new ATOM 0 HB THR A 19 -20.072 -16.137 1.733 1.00 0.00 H new ATOM 0 HG1 THR A 19 -18.562 -17.967 2.839 1.00 0.00 H new ATOM 0 HG21 THR A 19 -17.664 -16.027 2.250 1.00 0.00 H new ATOM 0 HG22 THR A 19 -18.505 -14.610 2.922 1.00 0.00 H new ATOM 0 HG23 THR A 19 -18.028 -15.951 3.990 1.00 0.00 H new ATOM 307 N ASP A 20 -21.083 -14.090 5.266 1.00 0.00 N ATOM 308 CA ASP A 20 -21.135 -12.692 5.659 1.00 0.00 C ATOM 309 C ASP A 20 -19.928 -11.957 5.074 1.00 0.00 C ATOM 310 O ASP A 20 -18.790 -12.389 5.247 1.00 0.00 O ATOM 311 CB ASP A 20 -21.086 -12.546 7.182 1.00 0.00 C ATOM 312 CG ASP A 20 -21.779 -11.300 7.734 1.00 0.00 C ATOM 313 OD1 ASP A 20 -22.586 -10.660 7.045 1.00 0.00 O ATOM 314 OD2 ASP A 20 -21.457 -10.989 8.944 1.00 0.00 O ATOM 0 H ASP A 20 -21.260 -14.753 6.021 1.00 0.00 H new ATOM 0 HA ASP A 20 -22.069 -12.271 5.286 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -21.544 -13.427 7.631 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -20.043 -12.533 7.497 1.00 0.00 H new ATOM 319 N MET A 21 -20.217 -10.857 4.394 1.00 0.00 N ATOM 320 CA MET A 21 -19.170 -10.057 3.782 1.00 0.00 C ATOM 321 C MET A 21 -18.486 -9.165 4.819 1.00 0.00 C ATOM 322 O MET A 21 -17.292 -8.889 4.716 1.00 0.00 O ATOM 323 CB MET A 21 -19.771 -9.188 2.676 1.00 0.00 C ATOM 324 CG MET A 21 -20.196 -10.040 1.479 1.00 0.00 C ATOM 325 SD MET A 21 -19.230 -9.601 0.043 1.00 0.00 S ATOM 326 CE MET A 21 -18.810 -11.228 -0.557 1.00 0.00 C ATOM 0 H MET A 21 -21.162 -10.501 4.253 1.00 0.00 H new ATOM 0 HA MET A 21 -18.423 -10.730 3.360 1.00 0.00 H new ATOM 0 HB2 MET A 21 -20.632 -8.644 3.064 1.00 0.00 H new ATOM 0 HB3 MET A 21 -19.041 -8.444 2.356 1.00 0.00 H new ATOM 0 HG2 MET A 21 -20.062 -11.097 1.709 1.00 0.00 H new ATOM 0 HG3 MET A 21 -21.256 -9.891 1.274 1.00 0.00 H new ATOM 0 HE1 MET A 21 -17.943 -11.161 -1.214 1.00 0.00 H new ATOM 0 HE2 MET A 21 -18.577 -11.878 0.286 1.00 0.00 H new ATOM 0 HE3 MET A 21 -19.653 -11.641 -1.111 1.00 0.00 H new ATOM 336 N ALA A 22 -19.273 -8.737 5.796 1.00 0.00 N ATOM 337 CA ALA A 22 -18.758 -7.880 6.851 1.00 0.00 C ATOM 338 C ALA A 22 -17.671 -8.629 7.624 1.00 0.00 C ATOM 339 O ALA A 22 -16.609 -8.074 7.905 1.00 0.00 O ATOM 340 CB ALA A 22 -19.910 -7.431 7.753 1.00 0.00 C ATOM 0 H ALA A 22 -20.263 -8.968 5.879 1.00 0.00 H new ATOM 0 HA ALA A 22 -18.305 -6.982 6.430 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -19.524 -6.788 8.544 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -20.641 -6.879 7.162 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -20.387 -8.305 8.196 1.00 0.00 H new ATOM 346 N LYS A 23 -17.973 -9.878 7.948 1.00 0.00 N ATOM 347 CA LYS A 23 -17.034 -10.709 8.684 1.00 0.00 C ATOM 348 C LYS A 23 -15.823 -11.009 7.798 1.00 0.00 C ATOM 349 O LYS A 23 -14.684 -10.778 8.198 1.00 0.00 O ATOM 350 CB LYS A 23 -17.732 -11.961 9.218 1.00 0.00 C ATOM 351 CG LYS A 23 -17.091 -12.428 10.526 1.00 0.00 C ATOM 352 CD LYS A 23 -18.073 -12.302 11.692 1.00 0.00 C ATOM 353 CE LYS A 23 -17.330 -12.182 13.024 1.00 0.00 C ATOM 354 NZ LYS A 23 -18.202 -12.600 14.145 1.00 0.00 N ATOM 0 H LYS A 23 -18.855 -10.335 7.714 1.00 0.00 H new ATOM 0 HA LYS A 23 -16.663 -10.180 9.562 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -18.789 -11.751 9.381 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -17.676 -12.758 8.476 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -16.769 -13.465 10.428 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -16.200 -11.835 10.731 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -18.707 -11.428 11.545 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -18.730 -13.172 11.715 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -16.433 -12.801 13.003 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -17.004 -11.153 13.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -17.682 -12.512 15.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -19.046 -11.993 14.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -18.492 -13.589 14.009 1.00 0.00 H new ATOM 368 N LEU A 24 -16.112 -11.520 6.610 1.00 0.00 N ATOM 369 CA LEU A 24 -15.060 -11.855 5.664 1.00 0.00 C ATOM 370 C LEU A 24 -14.192 -10.621 5.415 1.00 0.00 C ATOM 371 O LEU A 24 -12.971 -10.727 5.314 1.00 0.00 O ATOM 372 CB LEU A 24 -15.658 -12.455 4.389 1.00 0.00 C ATOM 373 CG LEU A 24 -14.982 -13.723 3.864 1.00 0.00 C ATOM 374 CD1 LEU A 24 -15.734 -14.284 2.655 1.00 0.00 C ATOM 375 CD2 LEU A 24 -13.505 -13.470 3.554 1.00 0.00 C ATOM 0 H LEU A 24 -17.059 -11.710 6.281 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.408 -12.625 6.076 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -16.709 -12.677 4.574 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -15.625 -11.698 3.605 1.00 0.00 H new ATOM 0 HG LEU A 24 -15.021 -14.480 4.647 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -15.233 -15.185 2.301 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -16.757 -14.527 2.943 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -15.749 -13.540 1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -13.049 -14.388 3.183 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.420 -12.690 2.797 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.992 -13.151 4.462 1.00 0.00 H new ATOM 387 N GLU A 25 -14.856 -9.479 5.322 1.00 0.00 N ATOM 388 CA GLU A 25 -14.161 -8.225 5.087 1.00 0.00 C ATOM 389 C GLU A 25 -13.461 -7.758 6.365 1.00 0.00 C ATOM 390 O GLU A 25 -12.339 -7.257 6.315 1.00 0.00 O ATOM 391 CB GLU A 25 -15.121 -7.155 4.564 1.00 0.00 C ATOM 392 CG GLU A 25 -14.374 -5.859 4.239 1.00 0.00 C ATOM 393 CD GLU A 25 -15.352 -4.702 4.022 1.00 0.00 C ATOM 394 OE1 GLU A 25 -16.064 -4.675 3.008 1.00 0.00 O ATOM 395 OE2 GLU A 25 -15.356 -3.809 4.953 1.00 0.00 O ATOM 0 H GLU A 25 -15.869 -9.396 5.405 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.403 -8.390 4.321 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -15.627 -7.521 3.671 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -15.892 -6.958 5.309 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.691 -5.615 5.053 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -13.767 -5.999 3.345 1.00 0.00 H new ATOM 402 N GLU A 26 -14.154 -7.938 7.480 1.00 0.00 N ATOM 403 CA GLU A 26 -13.613 -7.540 8.769 1.00 0.00 C ATOM 404 C GLU A 26 -12.415 -8.418 9.135 1.00 0.00 C ATOM 405 O GLU A 26 -11.333 -7.909 9.424 1.00 0.00 O ATOM 406 CB GLU A 26 -14.689 -7.599 9.855 1.00 0.00 C ATOM 407 CG GLU A 26 -14.059 -7.750 11.242 1.00 0.00 C ATOM 408 CD GLU A 26 -14.827 -6.936 12.285 1.00 0.00 C ATOM 409 OE1 GLU A 26 -16.038 -7.137 12.460 1.00 0.00 O ATOM 410 OE2 GLU A 26 -14.121 -6.068 12.927 1.00 0.00 O ATOM 0 H GLU A 26 -15.085 -8.354 7.518 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.272 -6.507 8.696 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -15.294 -6.693 9.823 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -15.360 -8.437 9.663 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -14.052 -8.801 11.529 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -13.020 -7.421 11.211 1.00 0.00 H new ATOM 417 N CYS A 27 -12.648 -9.722 9.110 1.00 0.00 N ATOM 418 CA CYS A 27 -11.601 -10.675 9.436 1.00 0.00 C ATOM 419 C CYS A 27 -10.296 -10.192 8.799 1.00 0.00 C ATOM 420 O CYS A 27 -9.297 -10.005 9.491 1.00 0.00 O ATOM 421 CB CYS A 27 -11.965 -12.092 8.986 1.00 0.00 C ATOM 422 SG CYS A 27 -10.712 -13.281 9.587 1.00 0.00 S ATOM 0 H CYS A 27 -13.546 -10.141 8.869 1.00 0.00 H new ATOM 0 HA CYS A 27 -11.479 -10.728 10.518 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -12.949 -12.363 9.370 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -12.025 -12.133 7.898 1.00 0.00 H new ATOM 0 HG CYS A 27 -11.032 -14.481 9.201 1.00 0.00 H new ATOM 428 N VAL A 28 -10.349 -10.005 7.489 1.00 0.00 N ATOM 429 CA VAL A 28 -9.183 -9.548 6.751 1.00 0.00 C ATOM 430 C VAL A 28 -8.600 -8.314 7.443 1.00 0.00 C ATOM 431 O VAL A 28 -7.507 -8.371 8.004 1.00 0.00 O ATOM 432 CB VAL A 28 -9.556 -9.293 5.289 1.00 0.00 C ATOM 433 CG1 VAL A 28 -8.499 -8.430 4.597 1.00 0.00 C ATOM 434 CG2 VAL A 28 -9.765 -10.611 4.540 1.00 0.00 C ATOM 0 H VAL A 28 -11.180 -10.161 6.919 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.409 -10.315 6.746 1.00 0.00 H new ATOM 0 HB VAL A 28 -10.498 -8.745 5.273 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.788 -8.263 3.559 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.419 -7.471 5.110 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.536 -8.939 4.628 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.029 -10.402 3.503 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.846 -11.196 4.570 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -10.569 -11.175 5.013 1.00 0.00 H new ATOM 444 N ARG A 29 -9.354 -7.228 7.380 1.00 0.00 N ATOM 445 CA ARG A 29 -8.926 -5.981 7.993 1.00 0.00 C ATOM 446 C ARG A 29 -8.370 -6.243 9.394 1.00 0.00 C ATOM 447 O ARG A 29 -7.283 -5.775 9.732 1.00 0.00 O ATOM 448 CB ARG A 29 -10.086 -4.988 8.090 1.00 0.00 C ATOM 449 CG ARG A 29 -9.720 -3.653 7.437 1.00 0.00 C ATOM 450 CD ARG A 29 -10.909 -2.690 7.453 1.00 0.00 C ATOM 451 NE ARG A 29 -10.787 -1.756 8.595 1.00 0.00 N ATOM 452 CZ ARG A 29 -11.277 -1.998 9.819 1.00 0.00 C ATOM 453 NH1 ARG A 29 -11.923 -3.146 10.068 1.00 0.00 N ATOM 454 NH2 ARG A 29 -11.119 -1.094 10.795 1.00 0.00 N ATOM 0 H ARG A 29 -10.260 -7.184 6.914 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.147 -5.552 7.363 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -10.968 -5.405 7.604 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.345 -4.826 9.136 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -8.878 -3.205 7.964 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -9.399 -3.823 6.409 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -10.948 -2.131 6.518 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -11.841 -3.250 7.529 1.00 0.00 H new ATOM 0 HE ARG A 29 -10.300 -0.873 8.441 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -12.042 -3.836 9.326 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -12.296 -3.330 11.000 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.626 -0.221 10.607 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -11.492 -1.278 11.726 1.00 0.00 H new ATOM 468 N SER A 30 -9.139 -6.990 10.171 1.00 0.00 N ATOM 469 CA SER A 30 -8.737 -7.321 11.528 1.00 0.00 C ATOM 470 C SER A 30 -7.244 -7.653 11.565 1.00 0.00 C ATOM 471 O SER A 30 -6.575 -7.411 12.569 1.00 0.00 O ATOM 472 CB SER A 30 -9.555 -8.491 12.076 1.00 0.00 C ATOM 473 OG SER A 30 -8.889 -9.738 11.896 1.00 0.00 O ATOM 0 H SER A 30 -10.039 -7.376 9.887 1.00 0.00 H new ATOM 0 HA SER A 30 -8.926 -6.454 12.161 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.748 -8.333 13.137 1.00 0.00 H new ATOM 0 HB3 SER A 30 -10.523 -8.522 11.577 1.00 0.00 H new ATOM 0 HG SER A 30 -8.657 -9.852 10.951 1.00 0.00 H new ATOM 479 N ILE A 31 -6.765 -8.202 10.459 1.00 0.00 N ATOM 480 CA ILE A 31 -5.364 -8.571 10.352 1.00 0.00 C ATOM 481 C ILE A 31 -4.495 -7.344 10.637 1.00 0.00 C ATOM 482 O ILE A 31 -4.581 -6.340 9.931 1.00 0.00 O ATOM 483 CB ILE A 31 -5.082 -9.220 8.996 1.00 0.00 C ATOM 484 CG1 ILE A 31 -5.977 -10.442 8.776 1.00 0.00 C ATOM 485 CG2 ILE A 31 -3.599 -9.564 8.849 1.00 0.00 C ATOM 486 CD1 ILE A 31 -6.063 -10.799 7.291 1.00 0.00 C ATOM 0 H ILE A 31 -7.323 -8.400 9.628 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.111 -9.324 11.099 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.324 -8.498 8.216 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.583 -11.291 9.335 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.976 -10.240 9.164 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.427 -10.024 7.876 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.005 -8.654 8.930 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.307 -10.260 9.636 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.705 -11.671 7.163 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.480 -9.957 6.738 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.066 -11.024 6.913 1.00 0.00 H new ATOM 498 N GLN A 32 -3.679 -7.464 11.675 1.00 0.00 N ATOM 499 CA GLN A 32 -2.796 -6.377 12.063 1.00 0.00 C ATOM 500 C GLN A 32 -1.338 -6.837 12.015 1.00 0.00 C ATOM 501 O GLN A 32 -1.033 -7.982 12.342 1.00 0.00 O ATOM 502 CB GLN A 32 -3.159 -5.845 13.450 1.00 0.00 C ATOM 503 CG GLN A 32 -3.567 -4.372 13.383 1.00 0.00 C ATOM 504 CD GLN A 32 -2.338 -3.461 13.393 1.00 0.00 C ATOM 505 OE1 GLN A 32 -1.733 -3.179 12.372 1.00 0.00 O ATOM 506 NE2 GLN A 32 -2.003 -3.018 14.603 1.00 0.00 N ATOM 0 H GLN A 32 -3.611 -8.298 12.259 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.922 -5.560 11.353 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -3.976 -6.434 13.867 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -2.308 -5.960 14.122 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.149 -4.193 12.479 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.210 -4.130 14.229 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -2.553 -3.293 15.417 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -1.196 -2.404 14.716 1.00 0.00 H new ATOM 515 N ALA A 33 -0.475 -5.918 11.605 1.00 0.00 N ATOM 516 CA ALA A 33 0.945 -6.214 11.511 1.00 0.00 C ATOM 517 C ALA A 33 1.730 -4.904 11.425 1.00 0.00 C ATOM 518 O ALA A 33 1.418 -4.041 10.605 1.00 0.00 O ATOM 519 CB ALA A 33 1.197 -7.125 10.308 1.00 0.00 C ATOM 0 H ALA A 33 -0.732 -4.969 11.334 1.00 0.00 H new ATOM 0 HA ALA A 33 1.287 -6.745 12.400 1.00 0.00 H new ATOM 0 HB1 ALA A 33 2.262 -7.347 10.237 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.640 -8.054 10.432 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.869 -6.624 9.397 1.00 0.00 H new ATOM 525 N ASP A 34 2.733 -4.795 12.283 1.00 0.00 N ATOM 526 CA ASP A 34 3.566 -3.605 12.315 1.00 0.00 C ATOM 527 C ASP A 34 3.967 -3.230 10.888 1.00 0.00 C ATOM 528 O ASP A 34 3.855 -2.071 10.491 1.00 0.00 O ATOM 529 CB ASP A 34 4.845 -3.848 13.117 1.00 0.00 C ATOM 530 CG ASP A 34 5.479 -2.594 13.720 1.00 0.00 C ATOM 531 OD1 ASP A 34 4.813 -1.564 13.900 1.00 0.00 O ATOM 532 OD2 ASP A 34 6.732 -2.702 14.013 1.00 0.00 O ATOM 0 H ASP A 34 2.988 -5.512 12.962 1.00 0.00 H new ATOM 0 HA ASP A 34 2.993 -2.806 12.785 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.623 -4.548 13.923 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.576 -4.330 12.468 1.00 0.00 H new ATOM 537 N GLY A 35 4.426 -4.232 10.153 1.00 0.00 N ATOM 538 CA GLY A 35 4.846 -4.023 8.778 1.00 0.00 C ATOM 539 C GLY A 35 3.674 -4.216 7.813 1.00 0.00 C ATOM 540 O GLY A 35 3.876 -4.527 6.640 1.00 0.00 O ATOM 0 H GLY A 35 4.516 -5.192 10.484 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.252 -3.018 8.667 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.646 -4.720 8.528 1.00 0.00 H new ATOM 544 N LEU A 36 2.475 -4.023 8.342 1.00 0.00 N ATOM 545 CA LEU A 36 1.271 -4.172 7.542 1.00 0.00 C ATOM 546 C LEU A 36 0.476 -2.865 7.575 1.00 0.00 C ATOM 547 O LEU A 36 0.047 -2.423 8.640 1.00 0.00 O ATOM 548 CB LEU A 36 0.469 -5.392 8.003 1.00 0.00 C ATOM 549 CG LEU A 36 -0.766 -5.735 7.168 1.00 0.00 C ATOM 550 CD1 LEU A 36 -0.475 -6.893 6.210 1.00 0.00 C ATOM 551 CD2 LEU A 36 -1.972 -6.025 8.066 1.00 0.00 C ATOM 0 H LEU A 36 2.311 -3.765 9.315 1.00 0.00 H new ATOM 0 HA LEU A 36 1.527 -4.363 6.500 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.132 -6.257 8.008 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.153 -5.227 9.033 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.018 -4.867 6.559 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.369 -7.117 5.628 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.336 -6.613 5.537 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.184 -7.774 6.782 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.837 -6.266 7.448 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.746 -6.869 8.718 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.193 -5.147 8.673 1.00 0.00 H new ATOM 563 N VAL A 37 0.305 -2.283 6.398 1.00 0.00 N ATOM 564 CA VAL A 37 -0.430 -1.035 6.278 1.00 0.00 C ATOM 565 C VAL A 37 -1.695 -1.272 5.451 1.00 0.00 C ATOM 566 O VAL A 37 -1.645 -1.278 4.222 1.00 0.00 O ATOM 567 CB VAL A 37 0.474 0.051 5.693 1.00 0.00 C ATOM 568 CG1 VAL A 37 -0.352 1.218 5.151 1.00 0.00 C ATOM 569 CG2 VAL A 37 1.492 0.534 6.728 1.00 0.00 C ATOM 0 H VAL A 37 0.663 -2.653 5.517 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.745 -0.681 7.259 1.00 0.00 H new ATOM 0 HB VAL A 37 1.025 -0.385 4.860 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.315 1.976 4.741 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.019 0.859 4.367 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.942 1.652 5.958 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.122 1.306 6.286 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.967 0.944 7.591 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.113 -0.303 7.046 1.00 0.00 H new ATOM 579 N TRP A 38 -2.800 -1.459 6.158 1.00 0.00 N ATOM 580 CA TRP A 38 -4.076 -1.694 5.503 1.00 0.00 C ATOM 581 C TRP A 38 -4.395 -0.473 4.637 1.00 0.00 C ATOM 582 O TRP A 38 -4.198 0.663 5.065 1.00 0.00 O ATOM 583 CB TRP A 38 -5.169 -2.002 6.529 1.00 0.00 C ATOM 584 CG TRP A 38 -5.366 -3.495 6.799 1.00 0.00 C ATOM 585 CD1 TRP A 38 -5.449 -4.115 7.984 1.00 0.00 C ATOM 586 CD2 TRP A 38 -5.502 -4.537 5.809 1.00 0.00 C ATOM 587 NE1 TRP A 38 -5.628 -5.475 7.832 1.00 0.00 N ATOM 588 CE2 TRP A 38 -5.662 -5.740 6.467 1.00 0.00 C ATOM 589 CE3 TRP A 38 -5.492 -4.466 4.405 1.00 0.00 C ATOM 590 CZ2 TRP A 38 -5.822 -6.961 5.802 1.00 0.00 C ATOM 591 CZ3 TRP A 38 -5.653 -5.695 3.756 1.00 0.00 C ATOM 592 CH2 TRP A 38 -5.814 -6.915 4.404 1.00 0.00 C ATOM 0 H TRP A 38 -2.838 -1.453 7.177 1.00 0.00 H new ATOM 0 HA TRP A 38 -4.024 -2.572 4.860 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -4.924 -1.503 7.467 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -6.111 -1.579 6.179 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.384 -3.613 8.938 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -5.719 -6.160 8.583 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -5.370 -3.536 3.870 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -5.945 -7.890 6.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -5.652 -5.696 2.676 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -5.932 -7.823 3.831 1.00 0.00 H new ATOM 603 N GLY A 39 -4.882 -0.751 3.437 1.00 0.00 N ATOM 604 CA GLY A 39 -5.230 0.310 2.508 1.00 0.00 C ATOM 605 C GLY A 39 -6.748 0.443 2.372 1.00 0.00 C ATOM 606 O GLY A 39 -7.438 0.743 3.347 1.00 0.00 O ATOM 0 H GLY A 39 -5.044 -1.695 3.087 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.808 1.254 2.854 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.791 0.103 1.532 1.00 0.00 H new ATOM 610 N SER A 40 -7.225 0.216 1.157 1.00 0.00 N ATOM 611 CA SER A 40 -8.649 0.307 0.882 1.00 0.00 C ATOM 612 C SER A 40 -9.120 -0.948 0.146 1.00 0.00 C ATOM 613 O SER A 40 -8.506 -1.365 -0.835 1.00 0.00 O ATOM 614 CB SER A 40 -8.972 1.557 0.061 1.00 0.00 C ATOM 615 OG SER A 40 -8.326 1.544 -1.209 1.00 0.00 O ATOM 0 H SER A 40 -6.650 -0.031 0.351 1.00 0.00 H new ATOM 0 HA SER A 40 -9.177 0.383 1.832 1.00 0.00 H new ATOM 0 HB2 SER A 40 -10.050 1.628 -0.082 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.664 2.444 0.615 1.00 0.00 H new ATOM 0 HG SER A 40 -8.559 2.358 -1.703 1.00 0.00 H new ATOM 621 N SER A 41 -10.208 -1.516 0.646 1.00 0.00 N ATOM 622 CA SER A 41 -10.770 -2.715 0.048 1.00 0.00 C ATOM 623 C SER A 41 -11.789 -2.334 -1.028 1.00 0.00 C ATOM 624 O SER A 41 -12.302 -1.216 -1.035 1.00 0.00 O ATOM 625 CB SER A 41 -11.423 -3.604 1.107 1.00 0.00 C ATOM 626 OG SER A 41 -12.231 -2.854 2.011 1.00 0.00 O ATOM 0 H SER A 41 -10.715 -1.167 1.459 1.00 0.00 H new ATOM 0 HA SER A 41 -9.960 -3.281 -0.412 1.00 0.00 H new ATOM 0 HB2 SER A 41 -12.035 -4.361 0.617 1.00 0.00 H new ATOM 0 HB3 SER A 41 -10.649 -4.131 1.665 1.00 0.00 H new ATOM 0 HG SER A 41 -12.631 -3.458 2.670 1.00 0.00 H new ATOM 632 N LYS A 42 -12.053 -3.286 -1.912 1.00 0.00 N ATOM 633 CA LYS A 42 -13.002 -3.065 -2.989 1.00 0.00 C ATOM 634 C LYS A 42 -14.046 -4.183 -2.981 1.00 0.00 C ATOM 635 O LYS A 42 -13.774 -5.287 -2.513 1.00 0.00 O ATOM 636 CB LYS A 42 -12.270 -2.917 -4.325 1.00 0.00 C ATOM 637 CG LYS A 42 -10.874 -2.324 -4.123 1.00 0.00 C ATOM 638 CD LYS A 42 -10.525 -1.347 -5.247 1.00 0.00 C ATOM 639 CE LYS A 42 -10.259 -2.091 -6.558 1.00 0.00 C ATOM 640 NZ LYS A 42 -9.130 -1.470 -7.285 1.00 0.00 N ATOM 0 H LYS A 42 -11.626 -4.212 -1.904 1.00 0.00 H new ATOM 0 HA LYS A 42 -13.537 -2.128 -2.839 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.189 -3.890 -4.809 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.848 -2.277 -4.991 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.829 -1.810 -3.163 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.136 -3.125 -4.091 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.343 -0.640 -5.386 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.645 -0.767 -4.969 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.034 -3.137 -6.350 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.154 -2.074 -7.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.962 -1.986 -8.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.359 -0.478 -7.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.274 -1.508 -6.695 1.00 0.00 H new ATOM 654 N LEU A 43 -15.218 -3.857 -3.504 1.00 0.00 N ATOM 655 CA LEU A 43 -16.306 -4.820 -3.562 1.00 0.00 C ATOM 656 C LEU A 43 -16.695 -5.055 -5.024 1.00 0.00 C ATOM 657 O LEU A 43 -16.468 -4.198 -5.876 1.00 0.00 O ATOM 658 CB LEU A 43 -17.471 -4.367 -2.680 1.00 0.00 C ATOM 659 CG LEU A 43 -17.514 -4.957 -1.269 1.00 0.00 C ATOM 660 CD1 LEU A 43 -17.764 -6.465 -1.314 1.00 0.00 C ATOM 661 CD2 LEU A 43 -16.243 -4.610 -0.491 1.00 0.00 C ATOM 0 H LEU A 43 -15.439 -2.940 -3.892 1.00 0.00 H new ATOM 0 HA LEU A 43 -15.987 -5.781 -3.158 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -17.437 -3.281 -2.597 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -18.403 -4.619 -3.186 1.00 0.00 H new ATOM 0 HG LEU A 43 -18.351 -4.507 -0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -17.790 -6.860 -0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -18.718 -6.661 -1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -16.963 -6.950 -1.872 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -16.299 -5.041 0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -15.375 -5.014 -1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -16.148 -3.527 -0.414 1.00 0.00 H new ATOM 673 N VAL A 44 -17.275 -6.221 -5.268 1.00 0.00 N ATOM 674 CA VAL A 44 -17.698 -6.579 -6.610 1.00 0.00 C ATOM 675 C VAL A 44 -18.890 -7.535 -6.527 1.00 0.00 C ATOM 676 O VAL A 44 -18.767 -8.643 -6.009 1.00 0.00 O ATOM 677 CB VAL A 44 -16.519 -7.162 -7.392 1.00 0.00 C ATOM 678 CG1 VAL A 44 -17.006 -8.076 -8.519 1.00 0.00 C ATOM 679 CG2 VAL A 44 -15.620 -6.050 -7.938 1.00 0.00 C ATOM 0 H VAL A 44 -17.462 -6.930 -4.559 1.00 0.00 H new ATOM 0 HA VAL A 44 -18.028 -5.694 -7.155 1.00 0.00 H new ATOM 0 HB VAL A 44 -15.926 -7.765 -6.704 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -16.148 -8.477 -9.059 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -17.585 -8.897 -8.097 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -17.632 -7.506 -9.205 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -14.790 -6.491 -8.490 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -16.198 -5.409 -8.604 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -15.231 -5.457 -7.110 1.00 0.00 H new ATOM 689 N PRO A 45 -20.047 -7.057 -7.058 1.00 0.00 N ATOM 690 CA PRO A 45 -21.261 -7.857 -7.050 1.00 0.00 C ATOM 691 C PRO A 45 -21.195 -8.967 -8.101 1.00 0.00 C ATOM 692 O PRO A 45 -20.466 -8.851 -9.085 1.00 0.00 O ATOM 693 CB PRO A 45 -22.386 -6.866 -7.301 1.00 0.00 C ATOM 694 CG PRO A 45 -21.731 -5.634 -7.902 1.00 0.00 C ATOM 695 CD PRO A 45 -20.231 -5.749 -7.681 1.00 0.00 C ATOM 0 HA PRO A 45 -21.413 -8.381 -6.107 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -23.130 -7.283 -7.980 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -22.904 -6.620 -6.374 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -21.956 -5.563 -8.966 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -22.118 -4.729 -7.433 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -19.686 -5.678 -8.622 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -19.863 -4.949 -7.039 1.00 0.00 H new ATOM 703 N VAL A 46 -21.966 -10.016 -7.856 1.00 0.00 N ATOM 704 CA VAL A 46 -22.003 -11.145 -8.769 1.00 0.00 C ATOM 705 C VAL A 46 -23.459 -11.543 -9.022 1.00 0.00 C ATOM 706 O VAL A 46 -24.362 -11.079 -8.327 1.00 0.00 O ATOM 707 CB VAL A 46 -21.158 -12.295 -8.216 1.00 0.00 C ATOM 708 CG1 VAL A 46 -21.118 -13.468 -9.197 1.00 0.00 C ATOM 709 CG2 VAL A 46 -19.745 -11.819 -7.874 1.00 0.00 C ATOM 0 H VAL A 46 -22.570 -10.108 -7.039 1.00 0.00 H new ATOM 0 HA VAL A 46 -21.567 -10.872 -9.730 1.00 0.00 H new ATOM 0 HB VAL A 46 -21.627 -12.644 -7.296 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -20.511 -14.271 -8.779 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -22.131 -13.831 -9.371 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -20.684 -13.138 -10.141 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -19.164 -12.654 -7.483 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -19.264 -11.432 -8.772 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -19.798 -11.031 -7.123 1.00 0.00 H new ATOM 719 N GLY A 47 -23.642 -12.397 -10.018 1.00 0.00 N ATOM 720 CA GLY A 47 -24.972 -12.863 -10.370 1.00 0.00 C ATOM 721 C GLY A 47 -25.628 -13.591 -9.195 1.00 0.00 C ATOM 722 O GLY A 47 -24.968 -13.897 -8.204 1.00 0.00 O ATOM 0 H GLY A 47 -22.891 -12.779 -10.593 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -25.590 -12.017 -10.669 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -24.911 -13.532 -11.228 1.00 0.00 H new ATOM 726 N TYR A 48 -26.919 -13.846 -9.345 1.00 0.00 N ATOM 727 CA TYR A 48 -27.672 -14.532 -8.308 1.00 0.00 C ATOM 728 C TYR A 48 -27.824 -13.650 -7.067 1.00 0.00 C ATOM 729 O TYR A 48 -28.936 -13.262 -6.711 1.00 0.00 O ATOM 730 CB TYR A 48 -26.852 -15.771 -7.942 1.00 0.00 C ATOM 731 CG TYR A 48 -27.696 -17.021 -7.686 1.00 0.00 C ATOM 732 CD1 TYR A 48 -28.572 -17.057 -6.621 1.00 0.00 C ATOM 733 CD2 TYR A 48 -27.580 -18.114 -8.521 1.00 0.00 C ATOM 734 CE1 TYR A 48 -29.366 -18.235 -6.379 1.00 0.00 C ATOM 735 CE2 TYR A 48 -28.373 -19.292 -8.281 1.00 0.00 C ATOM 736 CZ TYR A 48 -29.227 -19.294 -7.222 1.00 0.00 C ATOM 737 OH TYR A 48 -29.977 -20.405 -6.995 1.00 0.00 O ATOM 0 H TYR A 48 -27.463 -13.590 -10.169 1.00 0.00 H new ATOM 0 HA TYR A 48 -28.672 -14.782 -8.661 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -26.148 -15.979 -8.747 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -26.263 -15.554 -7.051 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -28.663 -16.202 -5.968 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -26.894 -18.086 -9.355 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -30.055 -18.276 -5.548 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -28.292 -20.154 -8.927 1.00 0.00 H new ATOM 0 HH TYR A 48 -29.775 -21.081 -7.675 1.00 0.00 H new ATOM 747 N GLY A 49 -26.692 -13.361 -6.444 1.00 0.00 N ATOM 748 CA GLY A 49 -26.686 -12.532 -5.250 1.00 0.00 C ATOM 749 C GLY A 49 -25.405 -12.747 -4.441 1.00 0.00 C ATOM 750 O GLY A 49 -25.450 -12.848 -3.216 1.00 0.00 O ATOM 0 H GLY A 49 -25.772 -13.686 -6.743 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -26.771 -11.482 -5.531 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -27.554 -12.769 -4.634 1.00 0.00 H new ATOM 754 N ILE A 50 -24.293 -12.811 -5.158 1.00 0.00 N ATOM 755 CA ILE A 50 -23.002 -13.011 -4.522 1.00 0.00 C ATOM 756 C ILE A 50 -22.141 -11.763 -4.721 1.00 0.00 C ATOM 757 O ILE A 50 -22.439 -10.927 -5.574 1.00 0.00 O ATOM 758 CB ILE A 50 -22.348 -14.297 -5.032 1.00 0.00 C ATOM 759 CG1 ILE A 50 -22.964 -15.527 -4.362 1.00 0.00 C ATOM 760 CG2 ILE A 50 -20.829 -14.247 -4.854 1.00 0.00 C ATOM 761 CD1 ILE A 50 -22.848 -16.757 -5.265 1.00 0.00 C ATOM 0 H ILE A 50 -24.259 -12.728 -6.174 1.00 0.00 H new ATOM 0 HA ILE A 50 -23.124 -13.146 -3.447 1.00 0.00 H new ATOM 0 HB ILE A 50 -22.544 -14.380 -6.101 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -22.462 -15.719 -3.413 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -24.013 -15.335 -4.135 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -20.389 -15.173 -5.224 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -20.425 -13.404 -5.414 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -20.590 -14.129 -3.797 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -23.293 -17.618 -4.766 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -23.371 -16.571 -6.203 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -21.797 -16.960 -5.470 1.00 0.00 H new ATOM 773 N LYS A 51 -21.089 -11.674 -3.919 1.00 0.00 N ATOM 774 CA LYS A 51 -20.182 -10.541 -3.997 1.00 0.00 C ATOM 775 C LYS A 51 -18.743 -11.035 -3.847 1.00 0.00 C ATOM 776 O LYS A 51 -18.507 -12.123 -3.323 1.00 0.00 O ATOM 777 CB LYS A 51 -20.575 -9.471 -2.977 1.00 0.00 C ATOM 778 CG LYS A 51 -21.767 -8.650 -3.473 1.00 0.00 C ATOM 779 CD LYS A 51 -22.630 -8.173 -2.303 1.00 0.00 C ATOM 780 CE LYS A 51 -22.071 -6.883 -1.701 1.00 0.00 C ATOM 781 NZ LYS A 51 -22.181 -6.910 -0.225 1.00 0.00 N ATOM 0 H LYS A 51 -20.845 -12.368 -3.212 1.00 0.00 H new ATOM 0 HA LYS A 51 -20.254 -10.060 -4.973 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.825 -9.944 -2.027 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.727 -8.812 -2.792 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -21.410 -7.790 -4.040 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -22.370 -9.252 -4.153 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -23.652 -8.007 -2.644 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -22.672 -8.948 -1.537 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -21.028 -6.761 -1.992 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -22.614 -6.025 -2.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -21.797 -6.027 0.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -23.180 -7.004 0.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -21.643 -7.718 0.148 1.00 0.00 H new ATOM 795 N LYS A 52 -17.817 -10.213 -4.318 1.00 0.00 N ATOM 796 CA LYS A 52 -16.405 -10.552 -4.243 1.00 0.00 C ATOM 797 C LYS A 52 -15.809 -9.955 -2.968 1.00 0.00 C ATOM 798 O LYS A 52 -16.244 -8.900 -2.510 1.00 0.00 O ATOM 799 CB LYS A 52 -15.682 -10.121 -5.521 1.00 0.00 C ATOM 800 CG LYS A 52 -15.012 -11.317 -6.201 1.00 0.00 C ATOM 801 CD LYS A 52 -14.192 -10.869 -7.412 1.00 0.00 C ATOM 802 CE LYS A 52 -14.731 -11.495 -8.701 1.00 0.00 C ATOM 803 NZ LYS A 52 -13.869 -11.140 -9.850 1.00 0.00 N ATOM 0 H LYS A 52 -18.016 -9.312 -4.753 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.275 -11.632 -4.180 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.392 -9.659 -6.207 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -14.932 -9.367 -5.282 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -14.365 -11.830 -5.489 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.771 -12.033 -6.516 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -14.219 -9.782 -7.492 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -13.149 -11.153 -7.274 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -14.777 -12.579 -8.594 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -15.749 -11.149 -8.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -14.249 -11.573 -10.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.847 -10.106 -9.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.905 -11.491 -9.682 1.00 0.00 H new ATOM 817 N LEU A 53 -14.821 -10.656 -2.430 1.00 0.00 N ATOM 818 CA LEU A 53 -14.160 -10.207 -1.217 1.00 0.00 C ATOM 819 C LEU A 53 -12.750 -9.722 -1.558 1.00 0.00 C ATOM 820 O LEU A 53 -11.764 -10.361 -1.195 1.00 0.00 O ATOM 821 CB LEU A 53 -14.190 -11.307 -0.152 1.00 0.00 C ATOM 822 CG LEU A 53 -14.997 -10.996 1.109 1.00 0.00 C ATOM 823 CD1 LEU A 53 -14.144 -10.248 2.136 1.00 0.00 C ATOM 824 CD2 LEU A 53 -16.279 -10.235 0.767 1.00 0.00 C ATOM 0 H LEU A 53 -14.463 -11.531 -2.812 1.00 0.00 H new ATOM 0 HA LEU A 53 -14.693 -9.360 -0.785 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -14.594 -12.212 -0.604 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -13.164 -11.529 0.142 1.00 0.00 H new ATOM 0 HG LEU A 53 -15.295 -11.941 1.564 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -14.742 -10.039 3.023 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -13.287 -10.861 2.413 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.795 -9.310 1.705 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -16.834 -10.027 1.682 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -16.025 -9.296 0.275 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -16.894 -10.839 0.100 1.00 0.00 H new ATOM 836 N GLN A 54 -12.699 -8.595 -2.254 1.00 0.00 N ATOM 837 CA GLN A 54 -11.425 -8.017 -2.649 1.00 0.00 C ATOM 838 C GLN A 54 -10.962 -6.994 -1.610 1.00 0.00 C ATOM 839 O GLN A 54 -11.767 -6.220 -1.094 1.00 0.00 O ATOM 840 CB GLN A 54 -11.519 -7.383 -4.039 1.00 0.00 C ATOM 841 CG GLN A 54 -10.291 -6.518 -4.330 1.00 0.00 C ATOM 842 CD GLN A 54 -10.110 -6.312 -5.836 1.00 0.00 C ATOM 843 OE1 GLN A 54 -10.486 -5.299 -6.400 1.00 0.00 O ATOM 844 NE2 GLN A 54 -9.515 -7.330 -6.452 1.00 0.00 N ATOM 0 H GLN A 54 -13.519 -8.067 -2.554 1.00 0.00 H new ATOM 0 HA GLN A 54 -10.685 -8.816 -2.699 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.605 -8.164 -4.794 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.421 -6.775 -4.105 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -10.397 -5.552 -3.837 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.401 -6.991 -3.915 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.225 -8.150 -5.919 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.349 -7.291 -7.458 1.00 0.00 H new ATOM 853 N ILE A 55 -9.667 -7.024 -1.334 1.00 0.00 N ATOM 854 CA ILE A 55 -9.087 -6.109 -0.366 1.00 0.00 C ATOM 855 C ILE A 55 -7.667 -5.741 -0.804 1.00 0.00 C ATOM 856 O ILE A 55 -7.058 -6.451 -1.603 1.00 0.00 O ATOM 857 CB ILE A 55 -9.161 -6.701 1.043 1.00 0.00 C ATOM 858 CG1 ILE A 55 -7.768 -7.074 1.555 1.00 0.00 C ATOM 859 CG2 ILE A 55 -10.125 -7.888 1.088 1.00 0.00 C ATOM 860 CD1 ILE A 55 -7.240 -8.323 0.846 1.00 0.00 C ATOM 0 H ILE A 55 -9.003 -7.668 -1.764 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.660 -5.182 -0.328 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.557 -5.939 1.714 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.082 -6.242 1.393 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.807 -7.251 2.630 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -10.159 -8.291 2.100 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.122 -7.559 0.794 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -9.782 -8.662 0.401 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.249 -8.567 1.228 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.915 -9.159 1.030 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.179 -8.135 -0.226 1.00 0.00 H new ATOM 872 N GLN A 56 -7.184 -4.633 -0.263 1.00 0.00 N ATOM 873 CA GLN A 56 -5.847 -4.162 -0.589 1.00 0.00 C ATOM 874 C GLN A 56 -5.039 -3.935 0.689 1.00 0.00 C ATOM 875 O GLN A 56 -5.575 -3.462 1.691 1.00 0.00 O ATOM 876 CB GLN A 56 -5.906 -2.890 -1.436 1.00 0.00 C ATOM 877 CG GLN A 56 -4.501 -2.436 -1.839 1.00 0.00 C ATOM 878 CD GLN A 56 -4.068 -3.093 -3.150 1.00 0.00 C ATOM 879 OE1 GLN A 56 -4.419 -2.662 -4.237 1.00 0.00 O ATOM 880 NE2 GLN A 56 -3.287 -4.157 -2.990 1.00 0.00 N ATOM 0 H GLN A 56 -7.693 -4.047 0.399 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.346 -4.928 -1.180 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.504 -3.071 -2.329 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.402 -2.098 -0.875 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.483 -1.352 -1.948 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -3.793 -2.689 -1.050 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.031 -4.465 -2.052 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -2.944 -4.665 -3.805 1.00 0.00 H new ATOM 889 N CYS A 57 -3.762 -4.281 0.615 1.00 0.00 N ATOM 890 CA CYS A 57 -2.875 -4.120 1.753 1.00 0.00 C ATOM 891 C CYS A 57 -1.578 -3.473 1.263 1.00 0.00 C ATOM 892 O CYS A 57 -1.272 -3.510 0.072 1.00 0.00 O ATOM 893 CB CYS A 57 -2.616 -5.451 2.461 1.00 0.00 C ATOM 894 SG CYS A 57 -2.607 -6.817 1.244 1.00 0.00 S ATOM 0 H CYS A 57 -3.321 -4.673 -0.217 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.345 -3.474 2.495 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.661 -5.414 2.985 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.385 -5.628 3.213 1.00 0.00 H new ATOM 0 HG CYS A 57 -2.577 -6.326 0.041 1.00 0.00 H new ATOM 900 N VAL A 58 -0.850 -2.893 2.207 1.00 0.00 N ATOM 901 CA VAL A 58 0.407 -2.239 1.887 1.00 0.00 C ATOM 902 C VAL A 58 1.521 -2.833 2.752 1.00 0.00 C ATOM 903 O VAL A 58 1.569 -2.595 3.957 1.00 0.00 O ATOM 904 CB VAL A 58 0.265 -0.724 2.052 1.00 0.00 C ATOM 905 CG1 VAL A 58 1.557 -0.006 1.657 1.00 0.00 C ATOM 906 CG2 VAL A 58 -0.925 -0.194 1.249 1.00 0.00 C ATOM 0 H VAL A 58 -1.107 -2.863 3.194 1.00 0.00 H new ATOM 0 HA VAL A 58 0.675 -2.416 0.845 1.00 0.00 H new ATOM 0 HB VAL A 58 0.076 -0.518 3.106 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.429 1.069 1.784 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.374 -0.351 2.291 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.790 -0.223 0.615 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.003 0.885 1.384 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.780 -0.418 0.192 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.841 -0.671 1.598 1.00 0.00 H new ATOM 916 N VAL A 59 2.389 -3.593 2.100 1.00 0.00 N ATOM 917 CA VAL A 59 3.500 -4.222 2.795 1.00 0.00 C ATOM 918 C VAL A 59 4.771 -3.402 2.564 1.00 0.00 C ATOM 919 O VAL A 59 4.780 -2.480 1.749 1.00 0.00 O ATOM 920 CB VAL A 59 3.640 -5.679 2.346 1.00 0.00 C ATOM 921 CG1 VAL A 59 2.267 -6.320 2.129 1.00 0.00 C ATOM 922 CG2 VAL A 59 4.499 -5.783 1.084 1.00 0.00 C ATOM 0 H VAL A 59 2.346 -3.787 1.100 1.00 0.00 H new ATOM 0 HA VAL A 59 3.316 -4.242 3.869 1.00 0.00 H new ATOM 0 HB VAL A 59 4.144 -6.228 3.141 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.395 -7.355 1.811 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.702 -6.294 3.061 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.725 -5.768 1.361 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.583 -6.828 0.786 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.035 -5.212 0.280 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.492 -5.383 1.286 1.00 0.00 H new ATOM 932 N GLU A 60 5.812 -3.766 3.296 1.00 0.00 N ATOM 933 CA GLU A 60 7.086 -3.074 3.182 1.00 0.00 C ATOM 934 C GLU A 60 7.896 -3.644 2.016 1.00 0.00 C ATOM 935 O GLU A 60 8.889 -4.339 2.226 1.00 0.00 O ATOM 936 CB GLU A 60 7.875 -3.159 4.491 1.00 0.00 C ATOM 937 CG GLU A 60 7.784 -1.846 5.271 1.00 0.00 C ATOM 938 CD GLU A 60 8.650 -0.763 4.624 1.00 0.00 C ATOM 939 OE1 GLU A 60 9.906 -0.825 4.912 1.00 0.00 O ATOM 940 OE2 GLU A 60 8.131 0.087 3.887 1.00 0.00 O ATOM 0 H GLU A 60 5.801 -4.531 3.971 1.00 0.00 H new ATOM 0 HA GLU A 60 6.889 -2.021 2.982 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.489 -3.976 5.100 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.919 -3.387 4.277 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.747 -1.513 5.309 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.105 -2.007 6.300 1.00 0.00 H new ATOM 947 N ASP A 61 7.443 -3.328 0.812 1.00 0.00 N ATOM 948 CA ASP A 61 8.113 -3.799 -0.388 1.00 0.00 C ATOM 949 C ASP A 61 7.938 -5.314 -0.503 1.00 0.00 C ATOM 950 O ASP A 61 7.248 -5.797 -1.400 1.00 0.00 O ATOM 951 CB ASP A 61 9.612 -3.499 -0.335 1.00 0.00 C ATOM 952 CG ASP A 61 10.216 -2.984 -1.643 1.00 0.00 C ATOM 953 OD1 ASP A 61 10.591 -3.902 -2.468 1.00 0.00 O ATOM 954 OD2 ASP A 61 10.321 -1.769 -1.863 1.00 0.00 O ATOM 0 H ASP A 61 6.619 -2.751 0.642 1.00 0.00 H new ATOM 0 HA ASP A 61 7.673 -3.287 -1.243 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.792 -2.760 0.446 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.139 -4.407 -0.042 1.00 0.00 H new ATOM 959 N ASP A 62 8.574 -6.023 0.417 1.00 0.00 N ATOM 960 CA ASP A 62 8.498 -7.474 0.431 1.00 0.00 C ATOM 961 C ASP A 62 8.759 -7.982 1.850 1.00 0.00 C ATOM 962 O ASP A 62 9.239 -9.099 2.035 1.00 0.00 O ATOM 963 CB ASP A 62 9.550 -8.089 -0.492 1.00 0.00 C ATOM 964 CG ASP A 62 9.322 -9.562 -0.843 1.00 0.00 C ATOM 965 OD1 ASP A 62 8.390 -9.778 -1.708 1.00 0.00 O ATOM 966 OD2 ASP A 62 9.999 -10.456 -0.316 1.00 0.00 O ATOM 0 H ASP A 62 9.145 -5.619 1.159 1.00 0.00 H new ATOM 0 HA ASP A 62 7.504 -7.762 0.088 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.583 -7.512 -1.416 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.528 -7.991 -0.020 1.00 0.00 H new ATOM 971 N LYS A 63 8.432 -7.136 2.816 1.00 0.00 N ATOM 972 CA LYS A 63 8.626 -7.486 4.214 1.00 0.00 C ATOM 973 C LYS A 63 7.447 -8.336 4.691 1.00 0.00 C ATOM 974 O LYS A 63 7.635 -9.455 5.164 1.00 0.00 O ATOM 975 CB LYS A 63 8.856 -6.227 5.054 1.00 0.00 C ATOM 976 CG LYS A 63 10.103 -6.372 5.929 1.00 0.00 C ATOM 977 CD LYS A 63 10.386 -5.082 6.700 1.00 0.00 C ATOM 978 CE LYS A 63 11.595 -5.247 7.621 1.00 0.00 C ATOM 979 NZ LYS A 63 11.918 -3.966 8.289 1.00 0.00 N ATOM 0 H LYS A 63 8.034 -6.210 2.659 1.00 0.00 H new ATOM 0 HA LYS A 63 9.525 -8.091 4.334 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.966 -5.363 4.398 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.985 -6.041 5.683 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.966 -7.196 6.630 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.961 -6.623 5.306 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.567 -4.268 5.999 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.511 -4.807 7.289 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.387 -6.012 8.369 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.454 -5.590 7.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.742 -4.097 8.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.137 -3.246 7.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.103 -3.654 8.855 1.00 0.00 H new ATOM 993 N VAL A 64 6.256 -7.771 4.549 1.00 0.00 N ATOM 994 CA VAL A 64 5.046 -8.464 4.960 1.00 0.00 C ATOM 995 C VAL A 64 4.421 -9.153 3.745 1.00 0.00 C ATOM 996 O VAL A 64 4.013 -8.490 2.794 1.00 0.00 O ATOM 997 CB VAL A 64 4.093 -7.486 5.650 1.00 0.00 C ATOM 998 CG1 VAL A 64 2.657 -8.015 5.630 1.00 0.00 C ATOM 999 CG2 VAL A 64 4.550 -7.193 7.080 1.00 0.00 C ATOM 0 H VAL A 64 6.103 -6.842 4.156 1.00 0.00 H new ATOM 0 HA VAL A 64 5.278 -9.240 5.689 1.00 0.00 H new ATOM 0 HB VAL A 64 4.113 -6.549 5.094 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.999 -7.301 6.127 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.333 -8.150 4.598 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.614 -8.971 6.151 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.856 -6.495 7.548 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.573 -8.121 7.652 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.547 -6.754 7.060 1.00 0.00 H new ATOM 1009 N GLY A 65 4.366 -10.474 3.818 1.00 0.00 N ATOM 1010 CA GLY A 65 3.797 -11.260 2.736 1.00 0.00 C ATOM 1011 C GLY A 65 2.349 -11.649 3.043 1.00 0.00 C ATOM 1012 O GLY A 65 1.888 -11.496 4.174 1.00 0.00 O ATOM 0 H GLY A 65 4.706 -11.020 4.609 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.835 -10.689 1.808 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.394 -12.159 2.582 1.00 0.00 H new ATOM 1016 N THR A 66 1.674 -12.145 2.018 1.00 0.00 N ATOM 1017 CA THR A 66 0.288 -12.556 2.164 1.00 0.00 C ATOM 1018 C THR A 66 0.204 -13.893 2.904 1.00 0.00 C ATOM 1019 O THR A 66 -0.888 -14.410 3.137 1.00 0.00 O ATOM 1020 CB THR A 66 -0.345 -12.592 0.771 1.00 0.00 C ATOM 1021 OG1 THR A 66 -0.795 -11.256 0.560 1.00 0.00 O ATOM 1022 CG2 THR A 66 -1.625 -13.428 0.730 1.00 0.00 C ATOM 0 H THR A 66 2.060 -12.272 1.083 1.00 0.00 H new ATOM 0 HA THR A 66 -0.273 -11.847 2.773 1.00 0.00 H new ATOM 0 HB THR A 66 0.373 -12.994 0.057 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.556 -11.070 1.149 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.033 -13.420 -0.281 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.399 -14.454 1.022 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.357 -13.007 1.420 1.00 0.00 H new ATOM 1030 N ASP A 67 1.371 -14.414 3.252 1.00 0.00 N ATOM 1031 CA ASP A 67 1.443 -15.681 3.960 1.00 0.00 C ATOM 1032 C ASP A 67 0.591 -15.601 5.228 1.00 0.00 C ATOM 1033 O ASP A 67 -0.343 -16.383 5.404 1.00 0.00 O ATOM 1034 CB ASP A 67 2.881 -15.999 4.376 1.00 0.00 C ATOM 1035 CG ASP A 67 3.680 -14.805 4.904 1.00 0.00 C ATOM 1036 OD1 ASP A 67 4.145 -14.016 3.995 1.00 0.00 O ATOM 1037 OD2 ASP A 67 3.849 -14.639 6.120 1.00 0.00 O ATOM 0 H ASP A 67 2.274 -13.982 3.057 1.00 0.00 H new ATOM 0 HA ASP A 67 1.080 -16.462 3.291 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.859 -16.771 5.145 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.407 -16.419 3.519 1.00 0.00 H new ATOM 1042 N MET A 68 0.943 -14.649 6.080 1.00 0.00 N ATOM 1043 CA MET A 68 0.222 -14.455 7.326 1.00 0.00 C ATOM 1044 C MET A 68 -1.251 -14.134 7.065 1.00 0.00 C ATOM 1045 O MET A 68 -2.139 -14.833 7.550 1.00 0.00 O ATOM 1046 CB MET A 68 0.863 -13.311 8.115 1.00 0.00 C ATOM 1047 CG MET A 68 1.064 -13.701 9.581 1.00 0.00 C ATOM 1048 SD MET A 68 -0.517 -13.959 10.367 1.00 0.00 S ATOM 1049 CE MET A 68 -1.249 -12.349 10.127 1.00 0.00 C ATOM 0 H MET A 68 1.719 -14.003 5.931 1.00 0.00 H new ATOM 0 HA MET A 68 0.275 -15.379 7.901 1.00 0.00 H new ATOM 0 HB2 MET A 68 1.823 -13.050 7.669 1.00 0.00 H new ATOM 0 HB3 MET A 68 0.232 -12.424 8.054 1.00 0.00 H new ATOM 0 HG2 MET A 68 1.664 -14.609 9.645 1.00 0.00 H new ATOM 0 HG3 MET A 68 1.615 -12.918 10.102 1.00 0.00 H new ATOM 0 HE1 MET A 68 -1.910 -12.122 10.963 1.00 0.00 H new ATOM 0 HE2 MET A 68 -0.463 -11.596 10.071 1.00 0.00 H new ATOM 0 HE3 MET A 68 -1.822 -12.344 9.200 1.00 0.00 H new ATOM 1059 N LEU A 69 -1.465 -13.074 6.297 1.00 0.00 N ATOM 1060 CA LEU A 69 -2.814 -12.652 5.966 1.00 0.00 C ATOM 1061 C LEU A 69 -3.598 -13.846 5.415 1.00 0.00 C ATOM 1062 O LEU A 69 -4.703 -14.131 5.872 1.00 0.00 O ATOM 1063 CB LEU A 69 -2.781 -11.449 5.019 1.00 0.00 C ATOM 1064 CG LEU A 69 -2.077 -10.200 5.548 1.00 0.00 C ATOM 1065 CD1 LEU A 69 -0.802 -9.910 4.752 1.00 0.00 C ATOM 1066 CD2 LEU A 69 -3.026 -9.000 5.566 1.00 0.00 C ATOM 0 H LEU A 69 -0.726 -12.496 5.896 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.337 -12.312 6.860 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.292 -11.753 4.094 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.807 -11.183 4.765 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.778 -10.389 6.579 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.321 -9.016 5.149 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.121 -10.757 4.835 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.056 -9.750 3.704 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.499 -8.125 5.947 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.378 -8.800 4.554 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.878 -9.219 6.210 1.00 0.00 H new ATOM 1078 N GLU A 70 -2.993 -14.511 4.441 1.00 0.00 N ATOM 1079 CA GLU A 70 -3.621 -15.668 3.824 1.00 0.00 C ATOM 1080 C GLU A 70 -3.966 -16.714 4.886 1.00 0.00 C ATOM 1081 O GLU A 70 -5.100 -17.187 4.950 1.00 0.00 O ATOM 1082 CB GLU A 70 -2.722 -16.264 2.739 1.00 0.00 C ATOM 1083 CG GLU A 70 -3.353 -17.521 2.136 1.00 0.00 C ATOM 1084 CD GLU A 70 -2.301 -18.374 1.422 1.00 0.00 C ATOM 1085 OE1 GLU A 70 -1.688 -17.783 0.453 1.00 0.00 O ATOM 1086 OE2 GLU A 70 -2.095 -19.540 1.789 1.00 0.00 O ATOM 0 H GLU A 70 -2.076 -14.271 4.064 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.546 -15.345 3.347 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.553 -15.526 1.955 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.748 -16.509 3.162 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.829 -18.107 2.923 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.136 -17.238 1.432 1.00 0.00 H new ATOM 1093 N GLU A 71 -2.968 -17.043 5.693 1.00 0.00 N ATOM 1094 CA GLU A 71 -3.152 -18.025 6.749 1.00 0.00 C ATOM 1095 C GLU A 71 -4.270 -17.583 7.695 1.00 0.00 C ATOM 1096 O GLU A 71 -4.782 -18.385 8.474 1.00 0.00 O ATOM 1097 CB GLU A 71 -1.848 -18.259 7.512 1.00 0.00 C ATOM 1098 CG GLU A 71 -1.200 -19.583 7.099 1.00 0.00 C ATOM 1099 CD GLU A 71 -0.742 -20.376 8.324 1.00 0.00 C ATOM 1100 OE1 GLU A 71 -0.565 -19.798 9.406 1.00 0.00 O ATOM 1101 OE2 GLU A 71 -0.571 -21.639 8.123 1.00 0.00 O ATOM 0 H GLU A 71 -2.030 -16.647 5.637 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.442 -18.971 6.293 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.158 -17.437 7.320 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.046 -18.266 8.584 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.911 -20.176 6.523 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -0.347 -19.387 6.449 1.00 0.00 H new ATOM 1108 N GLN A 72 -4.616 -16.308 7.596 1.00 0.00 N ATOM 1109 CA GLN A 72 -5.664 -15.749 8.434 1.00 0.00 C ATOM 1110 C GLN A 72 -6.978 -15.667 7.656 1.00 0.00 C ATOM 1111 O GLN A 72 -8.030 -16.049 8.166 1.00 0.00 O ATOM 1112 CB GLN A 72 -5.259 -14.376 8.975 1.00 0.00 C ATOM 1113 CG GLN A 72 -6.186 -13.940 10.111 1.00 0.00 C ATOM 1114 CD GLN A 72 -5.455 -13.969 11.456 1.00 0.00 C ATOM 1115 OE1 GLN A 72 -5.809 -14.697 12.368 1.00 0.00 O ATOM 1116 NE2 GLN A 72 -4.419 -13.138 11.526 1.00 0.00 N ATOM 0 H GLN A 72 -4.189 -15.646 6.948 1.00 0.00 H new ATOM 0 HA GLN A 72 -5.811 -16.410 9.288 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -4.230 -14.411 9.333 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -5.292 -13.640 8.171 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -6.558 -12.934 9.916 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.054 -14.598 10.150 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -4.177 -12.556 10.724 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -3.866 -13.083 12.382 1.00 0.00 H new ATOM 1125 N ILE A 73 -6.875 -15.166 6.433 1.00 0.00 N ATOM 1126 CA ILE A 73 -8.042 -15.029 5.580 1.00 0.00 C ATOM 1127 C ILE A 73 -8.525 -16.418 5.155 1.00 0.00 C ATOM 1128 O ILE A 73 -9.695 -16.754 5.332 1.00 0.00 O ATOM 1129 CB ILE A 73 -7.741 -14.098 4.404 1.00 0.00 C ATOM 1130 CG1 ILE A 73 -7.077 -12.805 4.885 1.00 0.00 C ATOM 1131 CG2 ILE A 73 -9.003 -13.823 3.583 1.00 0.00 C ATOM 1132 CD1 ILE A 73 -6.083 -12.280 3.848 1.00 0.00 C ATOM 0 H ILE A 73 -6.001 -14.850 6.013 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.859 -14.560 6.128 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.032 -14.599 3.745 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.840 -12.050 5.078 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.562 -12.986 5.829 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.760 -13.159 2.754 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.395 -14.762 3.193 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.754 -13.352 4.217 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.626 -11.361 4.215 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.308 -13.027 3.676 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.606 -12.077 2.913 1.00 0.00 H new ATOM 1144 N THR A 74 -7.598 -17.189 4.605 1.00 0.00 N ATOM 1145 CA THR A 74 -7.914 -18.533 4.154 1.00 0.00 C ATOM 1146 C THR A 74 -8.050 -19.478 5.350 1.00 0.00 C ATOM 1147 O THR A 74 -8.347 -20.660 5.181 1.00 0.00 O ATOM 1148 CB THR A 74 -6.835 -18.964 3.159 1.00 0.00 C ATOM 1149 OG1 THR A 74 -5.709 -19.268 3.977 1.00 0.00 O ATOM 1150 CG2 THR A 74 -6.355 -17.808 2.278 1.00 0.00 C ATOM 0 H THR A 74 -6.628 -16.908 4.462 1.00 0.00 H new ATOM 0 HA THR A 74 -8.877 -18.563 3.644 1.00 0.00 H new ATOM 0 HB THR A 74 -7.222 -19.764 2.528 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.684 -18.654 4.740 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.590 -18.168 1.590 1.00 0.00 H new ATOM 0 HG22 THR A 74 -7.196 -17.410 1.710 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.937 -17.021 2.906 1.00 0.00 H new ATOM 1158 N ALA A 75 -7.826 -18.922 6.531 1.00 0.00 N ATOM 1159 CA ALA A 75 -7.921 -19.700 7.755 1.00 0.00 C ATOM 1160 C ALA A 75 -9.386 -20.051 8.020 1.00 0.00 C ATOM 1161 O ALA A 75 -9.683 -20.888 8.871 1.00 0.00 O ATOM 1162 CB ALA A 75 -7.291 -18.917 8.908 1.00 0.00 C ATOM 0 H ALA A 75 -7.579 -17.942 6.667 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.371 -20.636 7.658 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.362 -19.501 9.826 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.243 -18.720 8.684 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.818 -17.972 9.037 1.00 0.00 H new ATOM 1168 N PHE A 76 -10.263 -19.394 7.275 1.00 0.00 N ATOM 1169 CA PHE A 76 -11.690 -19.626 7.418 1.00 0.00 C ATOM 1170 C PHE A 76 -12.241 -20.409 6.226 1.00 0.00 C ATOM 1171 O PHE A 76 -12.568 -19.826 5.193 1.00 0.00 O ATOM 1172 CB PHE A 76 -12.364 -18.253 7.467 1.00 0.00 C ATOM 1173 CG PHE A 76 -12.884 -17.864 8.852 1.00 0.00 C ATOM 1174 CD1 PHE A 76 -12.093 -18.027 9.946 1.00 0.00 C ATOM 1175 CD2 PHE A 76 -14.138 -17.354 8.989 1.00 0.00 C ATOM 1176 CE1 PHE A 76 -12.575 -17.665 11.231 1.00 0.00 C ATOM 1177 CE2 PHE A 76 -14.621 -16.994 10.275 1.00 0.00 C ATOM 1178 CZ PHE A 76 -13.829 -17.157 11.369 1.00 0.00 C ATOM 0 H PHE A 76 -10.012 -18.701 6.570 1.00 0.00 H new ATOM 0 HA PHE A 76 -11.883 -20.207 8.320 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.652 -17.498 7.132 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -13.195 -18.242 6.762 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -11.098 -18.432 9.837 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -14.766 -17.223 8.120 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -11.946 -17.793 12.099 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -15.617 -16.591 10.384 1.00 0.00 H new ATOM 0 HZ PHE A 76 -14.196 -16.883 12.347 1.00 0.00 H new ATOM 1188 N GLU A 77 -12.325 -21.719 6.407 1.00 0.00 N ATOM 1189 CA GLU A 77 -12.831 -22.589 5.359 1.00 0.00 C ATOM 1190 C GLU A 77 -14.354 -22.709 5.455 1.00 0.00 C ATOM 1191 O GLU A 77 -14.988 -23.316 4.595 1.00 0.00 O ATOM 1192 CB GLU A 77 -12.168 -23.966 5.421 1.00 0.00 C ATOM 1193 CG GLU A 77 -11.697 -24.284 6.841 1.00 0.00 C ATOM 1194 CD GLU A 77 -11.312 -25.759 6.975 1.00 0.00 C ATOM 1195 OE1 GLU A 77 -10.181 -26.138 6.634 1.00 0.00 O ATOM 1196 OE2 GLU A 77 -12.236 -26.522 7.452 1.00 0.00 O ATOM 0 H GLU A 77 -12.051 -22.199 7.264 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.582 -22.145 4.395 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.873 -24.728 5.089 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -11.320 -23.996 4.737 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -10.842 -23.657 7.093 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.488 -24.045 7.552 1.00 0.00 H new ATOM 1203 N ASP A 78 -14.895 -22.118 6.511 1.00 0.00 N ATOM 1204 CA ASP A 78 -16.330 -22.151 6.732 1.00 0.00 C ATOM 1205 C ASP A 78 -16.959 -20.877 6.163 1.00 0.00 C ATOM 1206 O ASP A 78 -18.099 -20.545 6.486 1.00 0.00 O ATOM 1207 CB ASP A 78 -16.657 -22.212 8.225 1.00 0.00 C ATOM 1208 CG ASP A 78 -15.762 -21.350 9.119 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -14.533 -21.328 8.959 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -16.385 -20.672 10.022 1.00 0.00 O ATOM 0 H ASP A 78 -14.365 -21.614 7.222 1.00 0.00 H new ATOM 0 HA ASP A 78 -16.726 -23.039 6.239 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -17.693 -21.903 8.368 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -16.585 -23.248 8.555 1.00 0.00 H new ATOM 1215 N TYR A 79 -16.189 -20.198 5.326 1.00 0.00 N ATOM 1216 CA TYR A 79 -16.655 -18.968 4.708 1.00 0.00 C ATOM 1217 C TYR A 79 -15.958 -18.729 3.368 1.00 0.00 C ATOM 1218 O TYR A 79 -16.604 -18.370 2.384 1.00 0.00 O ATOM 1219 CB TYR A 79 -16.278 -17.843 5.675 1.00 0.00 C ATOM 1220 CG TYR A 79 -17.228 -17.700 6.865 1.00 0.00 C ATOM 1221 CD1 TYR A 79 -17.090 -18.528 7.961 1.00 0.00 C ATOM 1222 CD2 TYR A 79 -18.223 -16.745 6.845 1.00 0.00 C ATOM 1223 CE1 TYR A 79 -17.984 -18.395 9.082 1.00 0.00 C ATOM 1224 CE2 TYR A 79 -19.117 -16.612 7.965 1.00 0.00 C ATOM 1225 CZ TYR A 79 -18.953 -17.442 9.029 1.00 0.00 C ATOM 1226 OH TYR A 79 -19.797 -17.316 10.088 1.00 0.00 O ATOM 0 H TYR A 79 -15.244 -20.477 5.061 1.00 0.00 H new ATOM 0 HA TYR A 79 -17.727 -19.015 4.518 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -15.269 -18.021 6.048 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -16.253 -16.901 5.128 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -16.311 -19.276 7.978 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -18.331 -16.097 5.988 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -17.887 -19.037 9.945 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -19.901 -15.869 7.960 1.00 0.00 H new ATOM 0 HH TYR A 79 -20.437 -16.595 9.912 1.00 0.00 H new ATOM 1236 N VAL A 80 -14.649 -18.936 3.373 1.00 0.00 N ATOM 1237 CA VAL A 80 -13.858 -18.747 2.168 1.00 0.00 C ATOM 1238 C VAL A 80 -13.908 -20.022 1.325 1.00 0.00 C ATOM 1239 O VAL A 80 -13.669 -21.117 1.832 1.00 0.00 O ATOM 1240 CB VAL A 80 -12.433 -18.331 2.540 1.00 0.00 C ATOM 1241 CG1 VAL A 80 -11.538 -18.275 1.299 1.00 0.00 C ATOM 1242 CG2 VAL A 80 -12.428 -16.993 3.281 1.00 0.00 C ATOM 0 H VAL A 80 -14.117 -19.232 4.191 1.00 0.00 H new ATOM 0 HA VAL A 80 -14.271 -17.941 1.561 1.00 0.00 H new ATOM 0 HB VAL A 80 -12.027 -19.087 3.213 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -10.531 -17.977 1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.504 -19.258 0.830 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -11.941 -17.550 0.592 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -11.403 -16.721 3.534 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.861 -16.222 2.644 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -13.016 -17.081 4.195 1.00 0.00 H new ATOM 1252 N GLN A 81 -14.223 -19.839 0.051 1.00 0.00 N ATOM 1253 CA GLN A 81 -14.307 -20.961 -0.868 1.00 0.00 C ATOM 1254 C GLN A 81 -12.923 -21.293 -1.430 1.00 0.00 C ATOM 1255 O GLN A 81 -12.600 -22.460 -1.645 1.00 0.00 O ATOM 1256 CB GLN A 81 -15.302 -20.673 -1.995 1.00 0.00 C ATOM 1257 CG GLN A 81 -15.553 -21.925 -2.838 1.00 0.00 C ATOM 1258 CD GLN A 81 -16.134 -21.558 -4.206 1.00 0.00 C ATOM 1259 OE1 GLN A 81 -17.200 -20.975 -4.319 1.00 0.00 O ATOM 1260 NE2 GLN A 81 -15.376 -21.928 -5.233 1.00 0.00 N ATOM 0 H GLN A 81 -14.423 -18.930 -0.366 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.671 -21.829 -0.318 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -16.243 -20.320 -1.573 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -14.917 -19.874 -2.629 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -14.619 -22.472 -2.970 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -16.240 -22.589 -2.314 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -14.494 -22.413 -5.067 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -15.676 -21.727 -6.187 1.00 0.00 H new ATOM 1269 N SER A 82 -12.142 -20.245 -1.651 1.00 0.00 N ATOM 1270 CA SER A 82 -10.801 -20.412 -2.184 1.00 0.00 C ATOM 1271 C SER A 82 -10.178 -19.044 -2.468 1.00 0.00 C ATOM 1272 O SER A 82 -10.660 -18.304 -3.324 1.00 0.00 O ATOM 1273 CB SER A 82 -10.814 -21.263 -3.455 1.00 0.00 C ATOM 1274 OG SER A 82 -10.753 -22.657 -3.164 1.00 0.00 O ATOM 0 H SER A 82 -12.412 -19.278 -1.471 1.00 0.00 H new ATOM 0 HA SER A 82 -10.199 -20.932 -1.438 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.719 -21.051 -4.024 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.969 -20.987 -4.085 1.00 0.00 H new ATOM 0 HG SER A 82 -11.578 -22.933 -2.713 1.00 0.00 H new ATOM 1280 N MET A 83 -9.116 -18.749 -1.733 1.00 0.00 N ATOM 1281 CA MET A 83 -8.421 -17.482 -1.895 1.00 0.00 C ATOM 1282 C MET A 83 -7.358 -17.577 -2.992 1.00 0.00 C ATOM 1283 O MET A 83 -6.818 -18.651 -3.246 1.00 0.00 O ATOM 1284 CB MET A 83 -7.759 -17.091 -0.573 1.00 0.00 C ATOM 1285 CG MET A 83 -6.788 -15.924 -0.771 1.00 0.00 C ATOM 1286 SD MET A 83 -5.179 -16.542 -1.238 1.00 0.00 S ATOM 1287 CE MET A 83 -4.140 -15.299 -0.488 1.00 0.00 C ATOM 0 H MET A 83 -8.719 -19.365 -1.024 1.00 0.00 H new ATOM 0 HA MET A 83 -9.148 -16.723 -2.185 1.00 0.00 H new ATOM 0 HB2 MET A 83 -8.523 -16.814 0.153 1.00 0.00 H new ATOM 0 HB3 MET A 83 -7.225 -17.948 -0.162 1.00 0.00 H new ATOM 0 HG2 MET A 83 -7.166 -15.252 -1.541 1.00 0.00 H new ATOM 0 HG3 MET A 83 -6.711 -15.344 0.149 1.00 0.00 H new ATOM 0 HE1 MET A 83 -3.119 -15.673 -0.416 1.00 0.00 H new ATOM 0 HE2 MET A 83 -4.153 -14.397 -1.099 1.00 0.00 H new ATOM 0 HE3 MET A 83 -4.513 -15.067 0.510 1.00 0.00 H new ATOM 1297 N ASP A 84 -7.090 -16.436 -3.610 1.00 0.00 N ATOM 1298 CA ASP A 84 -6.101 -16.376 -4.673 1.00 0.00 C ATOM 1299 C ASP A 84 -5.420 -15.006 -4.654 1.00 0.00 C ATOM 1300 O ASP A 84 -5.657 -14.204 -3.752 1.00 0.00 O ATOM 1301 CB ASP A 84 -6.754 -16.560 -6.044 1.00 0.00 C ATOM 1302 CG ASP A 84 -6.894 -18.013 -6.504 1.00 0.00 C ATOM 1303 OD1 ASP A 84 -6.863 -18.947 -5.689 1.00 0.00 O ATOM 1304 OD2 ASP A 84 -7.039 -18.170 -7.777 1.00 0.00 O ATOM 0 H ASP A 84 -7.540 -15.546 -3.395 1.00 0.00 H new ATOM 0 HA ASP A 84 -5.379 -17.176 -4.507 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -7.744 -16.105 -6.022 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -6.169 -16.015 -6.785 1.00 0.00 H new ATOM 1309 N VAL A 85 -4.588 -14.780 -5.660 1.00 0.00 N ATOM 1310 CA VAL A 85 -3.872 -13.521 -5.771 1.00 0.00 C ATOM 1311 C VAL A 85 -4.463 -12.701 -6.919 1.00 0.00 C ATOM 1312 O VAL A 85 -4.865 -13.257 -7.940 1.00 0.00 O ATOM 1313 CB VAL A 85 -2.373 -13.784 -5.933 1.00 0.00 C ATOM 1314 CG1 VAL A 85 -1.616 -12.484 -6.215 1.00 0.00 C ATOM 1315 CG2 VAL A 85 -1.805 -14.493 -4.702 1.00 0.00 C ATOM 0 H VAL A 85 -4.394 -15.448 -6.406 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.989 -12.934 -4.860 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.239 -14.443 -6.791 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.553 -12.699 -6.326 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.993 -12.035 -7.134 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.762 -11.791 -5.386 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.738 -14.668 -4.843 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.957 -13.870 -3.821 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.314 -15.447 -4.564 1.00 0.00 H new ATOM 1325 N ALA A 86 -4.497 -11.393 -6.714 1.00 0.00 N ATOM 1326 CA ALA A 86 -5.032 -10.491 -7.720 1.00 0.00 C ATOM 1327 C ALA A 86 -3.876 -9.803 -8.448 1.00 0.00 C ATOM 1328 O ALA A 86 -4.003 -9.438 -9.617 1.00 0.00 O ATOM 1329 CB ALA A 86 -5.982 -9.492 -7.057 1.00 0.00 C ATOM 0 H ALA A 86 -4.163 -10.936 -5.866 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.607 -11.043 -8.463 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.383 -8.816 -7.812 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.801 -10.030 -6.580 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.440 -8.917 -6.306 1.00 0.00 H new ATOM 1335 N ALA A 87 -2.776 -9.646 -7.728 1.00 0.00 N ATOM 1336 CA ALA A 87 -1.597 -9.007 -8.292 1.00 0.00 C ATOM 1337 C ALA A 87 -0.577 -8.758 -7.179 1.00 0.00 C ATOM 1338 O ALA A 87 -0.868 -8.977 -6.005 1.00 0.00 O ATOM 1339 CB ALA A 87 -2.008 -7.718 -9.006 1.00 0.00 C ATOM 0 H ALA A 87 -2.675 -9.950 -6.759 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.126 -9.654 -9.032 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.125 -7.239 -9.429 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.711 -7.953 -9.805 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.481 -7.042 -8.293 1.00 0.00 H new ATOM 1345 N PHE A 88 0.599 -8.304 -7.589 1.00 0.00 N ATOM 1346 CA PHE A 88 1.664 -8.023 -6.642 1.00 0.00 C ATOM 1347 C PHE A 88 2.626 -6.970 -7.196 1.00 0.00 C ATOM 1348 O PHE A 88 3.584 -7.305 -7.892 1.00 0.00 O ATOM 1349 CB PHE A 88 2.427 -9.331 -6.426 1.00 0.00 C ATOM 1350 CG PHE A 88 2.510 -9.769 -4.963 1.00 0.00 C ATOM 1351 CD1 PHE A 88 3.466 -9.246 -4.149 1.00 0.00 C ATOM 1352 CD2 PHE A 88 1.627 -10.681 -4.474 1.00 0.00 C ATOM 1353 CE1 PHE A 88 3.543 -9.653 -2.791 1.00 0.00 C ATOM 1354 CE2 PHE A 88 1.704 -11.087 -3.115 1.00 0.00 C ATOM 1355 CZ PHE A 88 2.660 -10.565 -2.303 1.00 0.00 C ATOM 0 H PHE A 88 0.837 -8.124 -8.564 1.00 0.00 H new ATOM 0 HA PHE A 88 1.244 -7.639 -5.712 1.00 0.00 H new ATOM 0 HB2 PHE A 88 1.946 -10.120 -7.004 1.00 0.00 H new ATOM 0 HB3 PHE A 88 3.438 -9.219 -6.819 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.167 -8.521 -4.536 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.867 -11.097 -5.119 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.303 -9.238 -2.145 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.002 -11.811 -2.727 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.719 -10.874 -1.270 1.00 0.00 H new ATOM 1365 N ASN A 89 2.338 -5.720 -6.866 1.00 0.00 N ATOM 1366 CA ASN A 89 3.167 -4.617 -7.322 1.00 0.00 C ATOM 1367 C ASN A 89 3.142 -3.500 -6.276 1.00 0.00 C ATOM 1368 O ASN A 89 2.381 -3.564 -5.313 1.00 0.00 O ATOM 1369 CB ASN A 89 2.642 -4.042 -8.639 1.00 0.00 C ATOM 1370 CG ASN A 89 1.160 -3.680 -8.528 1.00 0.00 C ATOM 1371 OD1 ASN A 89 0.789 -2.596 -8.110 1.00 0.00 O ATOM 1372 ND2 ASN A 89 0.336 -4.646 -8.925 1.00 0.00 N ATOM 0 H ASN A 89 1.543 -5.446 -6.289 1.00 0.00 H new ATOM 0 HA ASN A 89 4.179 -4.994 -7.470 1.00 0.00 H new ATOM 0 HB2 ASN A 89 3.217 -3.156 -8.908 1.00 0.00 H new ATOM 0 HB3 ASN A 89 2.783 -4.769 -9.439 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -0.673 -4.502 -8.890 1.00 0.00 H new ATOM 0 HD22 ASN A 89 0.713 -5.531 -9.265 1.00 0.00 H new ATOM 1379 N LYS A 90 3.984 -2.503 -6.501 1.00 0.00 N ATOM 1380 CA LYS A 90 4.069 -1.373 -5.591 1.00 0.00 C ATOM 1381 C LYS A 90 2.954 -0.377 -5.916 1.00 0.00 C ATOM 1382 O LYS A 90 2.320 -0.427 -6.968 1.00 0.00 O ATOM 1383 CB LYS A 90 5.470 -0.761 -5.626 1.00 0.00 C ATOM 1384 CG LYS A 90 5.479 0.624 -4.975 1.00 0.00 C ATOM 1385 CD LYS A 90 6.906 1.160 -4.846 1.00 0.00 C ATOM 1386 CE LYS A 90 6.915 2.546 -4.198 1.00 0.00 C ATOM 1387 NZ LYS A 90 7.249 3.584 -5.198 1.00 0.00 N ATOM 0 H LYS A 90 4.614 -2.454 -7.301 1.00 0.00 H new ATOM 0 HA LYS A 90 3.915 -1.700 -4.563 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.170 -1.416 -5.107 1.00 0.00 H new ATOM 0 HB3 LYS A 90 5.812 -0.684 -6.658 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.880 1.313 -5.570 1.00 0.00 H new ATOM 0 HG3 LYS A 90 5.017 0.569 -3.989 1.00 0.00 H new ATOM 0 HD2 LYS A 90 7.504 0.472 -4.249 1.00 0.00 H new ATOM 0 HD3 LYS A 90 7.369 1.212 -5.831 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.939 2.755 -3.760 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.641 2.569 -3.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.251 4.518 -4.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.190 3.392 -5.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.541 3.572 -5.960 1.00 0.00 H new ATOM 1401 N ILE A 91 2.727 0.542 -4.975 1.00 0.00 N ATOM 1402 CA ILE A 91 1.706 1.561 -5.128 1.00 0.00 C ATOM 1403 C ILE A 91 2.357 2.896 -5.460 1.00 0.00 C ATOM 1404 O ILE A 91 3.250 3.347 -4.746 1.00 0.00 O ATOM 1405 CB ILE A 91 0.890 1.659 -3.842 1.00 0.00 C ATOM 1406 CG1 ILE A 91 1.471 0.712 -2.797 1.00 0.00 C ATOM 1407 CG2 ILE A 91 -0.558 1.274 -4.130 1.00 0.00 C ATOM 1408 CD1 ILE A 91 0.376 0.303 -1.816 1.00 0.00 C ATOM 1409 OXT ILE A 91 1.996 3.536 -6.446 1.00 0.00 O ATOM 0 H ILE A 91 3.244 0.595 -4.097 1.00 0.00 H new ATOM 0 HA ILE A 91 1.037 1.293 -5.946 1.00 0.00 H new ATOM 0 HB ILE A 91 0.926 2.681 -3.465 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.888 -0.171 -3.282 1.00 0.00 H new ATOM 0 HG13 ILE A 91 2.288 1.198 -2.264 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.142 1.343 -3.212 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -0.973 1.951 -4.877 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.595 0.252 -4.507 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.791 -0.374 -1.069 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.020 1.190 -1.322 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.426 -0.200 -2.355 1.00 0.00 H new TER 1421 ILE A 91