USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 711 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 73 GLN : amide:sc= 0.132 K(o=0.24,f=-1.2) USER MOD Set 1.2: A 78 GLN : amide:sc= 0.11 K(o=0.24,f=-0.98) USER MOD Set 2.1: A 58 LYS NZ :NH3+ -172:sc= -1.57 (180deg=-1.97) USER MOD Set 2.2: A 61 SER OG : rot -96:sc= 0.309 USER MOD Set 3.1: A 25 MET CE :methyl 173:sc= -1.59 (180deg=-1.77) USER MOD Set 3.2: A 45 MET CE :methyl -124:sc= -4.88! (180deg=-5.42!) USER MOD Set 4.1: A 19 TYR OH : rot 80:sc= 1.31 USER MOD Set 4.2: A 51 CYS SG : rot 22:sc= -1.77 USER MOD Single : A 1 GLY N :NH3+ 176:sc= 0 (180deg=-0.0224) USER MOD Single : A 2 SER OG : rot 27:sc= 0.75 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 43:sc= 0.441 USER MOD Single : A 14 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.141) USER MOD Single : A 16 ASN : amide:sc= -3.59! C(o=-3.6!,f=-5.4!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.412 X(o=-0.41,f=-0.028) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.89 K(o=-0.89,f=-0.13) USER MOD Single : A 55 THR OG1 : rot -170:sc= -0.538 USER MOD Single : A 56 TYR OH : rot -26:sc= -0.0854 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.175 X(o=-0.18,f=0) USER MOD Single : A 70 ASN : amide:sc= -0.0139 X(o=-0.014,f=-0.014) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -120:sc= -0.202 (180deg=-2.85!) USER MOD Single : A 82 ASN : amide:sc= -0.267 X(o=-0.27,f=-0.29) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0.369 K(o=0.37,f=-4.1!) USER MOD Single : A 89 MET CE :methyl -173:sc= 0 (180deg=-0.0844) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 28:sc= 0.504 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.627 5.116 9.845 1.00 0.00 N ATOM 2 CA GLY A 1 -29.423 5.955 8.968 1.00 0.00 C ATOM 3 C GLY A 1 -28.633 6.469 7.781 1.00 0.00 C ATOM 4 O GLY A 1 -28.746 7.637 7.410 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.193 4.846 10.675 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.333 4.260 9.333 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.784 5.640 10.156 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -30.283 5.388 8.610 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -29.812 6.801 9.535 1.00 0.00 H new ATOM 8 N SER A 2 -27.827 5.595 7.186 1.00 0.00 N ATOM 9 CA SER A 2 -27.010 5.969 6.037 1.00 0.00 C ATOM 10 C SER A 2 -26.612 4.737 5.229 1.00 0.00 C ATOM 11 O SER A 2 -26.261 3.700 5.791 1.00 0.00 O ATOM 12 CB SER A 2 -25.757 6.716 6.498 1.00 0.00 C ATOM 13 OG SER A 2 -26.039 8.084 6.741 1.00 0.00 O ATOM 0 H SER A 2 -27.722 4.624 7.480 1.00 0.00 H new ATOM 0 HA SER A 2 -27.602 6.625 5.399 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.368 6.255 7.406 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.979 6.631 5.739 1.00 0.00 H new ATOM 0 HG SER A 2 -26.982 8.185 6.987 1.00 0.00 H new ATOM 19 N SER A 3 -26.671 4.860 3.907 1.00 0.00 N ATOM 20 CA SER A 3 -26.321 3.757 3.021 1.00 0.00 C ATOM 21 C SER A 3 -25.290 4.197 1.986 1.00 0.00 C ATOM 22 O SER A 3 -25.541 5.099 1.188 1.00 0.00 O ATOM 23 CB SER A 3 -27.571 3.224 2.317 1.00 0.00 C ATOM 24 OG SER A 3 -28.616 2.985 3.244 1.00 0.00 O ATOM 0 H SER A 3 -26.958 5.713 3.426 1.00 0.00 H new ATOM 0 HA SER A 3 -25.886 2.962 3.626 1.00 0.00 H new ATOM 0 HB2 SER A 3 -27.903 3.941 1.567 1.00 0.00 H new ATOM 0 HB3 SER A 3 -27.330 2.301 1.790 1.00 0.00 H new ATOM 0 HG SER A 3 -29.404 2.647 2.769 1.00 0.00 H new ATOM 30 N GLY A 4 -24.127 3.552 2.007 1.00 0.00 N ATOM 31 CA GLY A 4 -23.075 3.890 1.067 1.00 0.00 C ATOM 32 C GLY A 4 -21.886 4.549 1.740 1.00 0.00 C ATOM 33 O GLY A 4 -21.358 4.033 2.725 1.00 0.00 O ATOM 0 H GLY A 4 -23.895 2.802 2.658 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.744 2.986 0.556 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -23.474 4.559 0.305 1.00 0.00 H new ATOM 37 N SER A 5 -21.464 5.690 1.206 1.00 0.00 N ATOM 38 CA SER A 5 -20.327 6.417 1.758 1.00 0.00 C ATOM 39 C SER A 5 -20.795 7.532 2.688 1.00 0.00 C ATOM 40 O SER A 5 -21.918 8.022 2.573 1.00 0.00 O ATOM 41 CB SER A 5 -19.473 7.003 0.631 1.00 0.00 C ATOM 42 OG SER A 5 -20.172 8.024 -0.060 1.00 0.00 O ATOM 0 H SER A 5 -21.892 6.131 0.392 1.00 0.00 H new ATOM 0 HA SER A 5 -19.724 5.715 2.334 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.548 7.406 1.043 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.194 6.213 -0.066 1.00 0.00 H new ATOM 0 HG SER A 5 -19.605 8.383 -0.774 1.00 0.00 H new ATOM 48 N SER A 6 -19.924 7.929 3.611 1.00 0.00 N ATOM 49 CA SER A 6 -20.248 8.983 4.564 1.00 0.00 C ATOM 50 C SER A 6 -19.181 10.074 4.552 1.00 0.00 C ATOM 51 O SER A 6 -18.116 9.923 5.149 1.00 0.00 O ATOM 52 CB SER A 6 -20.383 8.402 5.973 1.00 0.00 C ATOM 53 OG SER A 6 -19.237 7.646 6.325 1.00 0.00 O ATOM 0 H SER A 6 -18.989 7.536 3.718 1.00 0.00 H new ATOM 0 HA SER A 6 -21.199 9.426 4.268 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.524 9.210 6.691 1.00 0.00 H new ATOM 0 HB3 SER A 6 -21.270 7.770 6.026 1.00 0.00 H new ATOM 0 HG SER A 6 -18.430 8.125 6.043 1.00 0.00 H new ATOM 59 N GLY A 7 -19.476 11.174 3.866 1.00 0.00 N ATOM 60 CA GLY A 7 -18.533 12.274 3.787 1.00 0.00 C ATOM 61 C GLY A 7 -17.131 11.813 3.439 1.00 0.00 C ATOM 62 O GLY A 7 -16.297 11.621 4.323 1.00 0.00 O ATOM 0 H GLY A 7 -20.351 11.323 3.364 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.874 12.988 3.037 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.513 12.800 4.741 1.00 0.00 H new ATOM 66 N GLU A 8 -16.873 11.634 2.147 1.00 0.00 N ATOM 67 CA GLU A 8 -15.563 11.190 1.685 1.00 0.00 C ATOM 68 C GLU A 8 -14.546 12.325 1.761 1.00 0.00 C ATOM 69 O GLU A 8 -14.576 13.254 0.953 1.00 0.00 O ATOM 70 CB GLU A 8 -15.654 10.666 0.250 1.00 0.00 C ATOM 71 CG GLU A 8 -16.079 9.210 0.160 1.00 0.00 C ATOM 72 CD GLU A 8 -15.239 8.302 1.036 1.00 0.00 C ATOM 73 OE1 GLU A 8 -14.085 8.671 1.338 1.00 0.00 O ATOM 74 OE2 GLU A 8 -15.735 7.222 1.419 1.00 0.00 O ATOM 0 H GLU A 8 -17.553 11.789 1.403 1.00 0.00 H new ATOM 0 HA GLU A 8 -15.230 10.383 2.338 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -16.363 11.278 -0.307 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -14.684 10.783 -0.233 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -17.126 9.122 0.451 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -16.007 8.878 -0.876 1.00 0.00 H new ATOM 81 N ARG A 9 -13.647 12.242 2.736 1.00 0.00 N ATOM 82 CA ARG A 9 -12.622 13.262 2.919 1.00 0.00 C ATOM 83 C ARG A 9 -11.478 13.066 1.929 1.00 0.00 C ATOM 84 O ARG A 9 -10.885 11.990 1.856 1.00 0.00 O ATOM 85 CB ARG A 9 -12.084 13.225 4.350 1.00 0.00 C ATOM 86 CG ARG A 9 -11.442 11.899 4.725 1.00 0.00 C ATOM 87 CD ARG A 9 -11.239 11.783 6.228 1.00 0.00 C ATOM 88 NE ARG A 9 -12.508 11.685 6.945 1.00 0.00 N ATOM 89 CZ ARG A 9 -13.257 10.588 6.967 1.00 0.00 C ATOM 90 NH1 ARG A 9 -12.867 9.502 6.315 1.00 0.00 N ATOM 91 NH2 ARG A 9 -14.399 10.577 7.643 1.00 0.00 N ATOM 0 H ARG A 9 -13.608 11.479 3.411 1.00 0.00 H new ATOM 0 HA ARG A 9 -13.077 14.235 2.735 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -11.351 14.022 4.474 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -12.901 13.432 5.042 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -12.070 11.078 4.377 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -10.482 11.802 4.219 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.631 10.905 6.445 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -10.686 12.651 6.587 1.00 0.00 H new ATOM 0 HE ARG A 9 -12.837 12.504 7.457 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -11.990 9.507 5.795 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -13.444 8.661 6.334 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -14.702 11.411 8.146 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -14.974 9.735 7.660 1.00 0.00 H new ATOM 105 N ARG A 10 -11.174 14.114 1.169 1.00 0.00 N ATOM 106 CA ARG A 10 -10.102 14.056 0.182 1.00 0.00 C ATOM 107 C ARG A 10 -8.822 13.504 0.802 1.00 0.00 C ATOM 108 O ARG A 10 -8.747 13.291 2.012 1.00 0.00 O ATOM 109 CB ARG A 10 -9.841 15.446 -0.400 1.00 0.00 C ATOM 110 CG ARG A 10 -8.861 16.274 0.415 1.00 0.00 C ATOM 111 CD ARG A 10 -9.408 16.582 1.799 1.00 0.00 C ATOM 112 NE ARG A 10 -8.665 17.655 2.456 1.00 0.00 N ATOM 113 CZ ARG A 10 -8.869 18.945 2.214 1.00 0.00 C ATOM 114 NH1 ARG A 10 -9.789 19.321 1.337 1.00 0.00 N ATOM 115 NH2 ARG A 10 -8.152 19.862 2.851 1.00 0.00 N ATOM 0 H ARG A 10 -11.655 15.012 1.218 1.00 0.00 H new ATOM 0 HA ARG A 10 -10.415 13.387 -0.619 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -9.457 15.339 -1.415 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.786 15.984 -0.471 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.917 15.736 0.507 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -8.647 17.206 -0.108 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -10.458 16.864 1.719 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.366 15.683 2.414 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.951 17.399 3.138 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.343 18.619 0.846 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.943 20.312 1.153 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.444 19.576 3.527 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.309 20.852 2.665 1.00 0.00 H new ATOM 129 N ALA A 11 -7.816 13.274 -0.036 1.00 0.00 N ATOM 130 CA ALA A 11 -6.539 12.748 0.429 1.00 0.00 C ATOM 131 C ALA A 11 -5.404 13.160 -0.502 1.00 0.00 C ATOM 132 O ALA A 11 -5.584 13.314 -1.710 1.00 0.00 O ATOM 133 CB ALA A 11 -6.604 11.232 0.547 1.00 0.00 C ATOM 0 H ALA A 11 -7.861 13.444 -1.041 1.00 0.00 H new ATOM 0 HA ALA A 11 -6.337 13.170 1.414 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.643 10.853 0.895 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.383 10.955 1.258 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.833 10.801 -0.428 1.00 0.00 H new ATOM 139 N PRO A 12 -4.205 13.345 0.071 1.00 0.00 N ATOM 140 CA PRO A 12 -3.017 13.743 -0.690 1.00 0.00 C ATOM 141 C PRO A 12 -2.517 12.631 -1.606 1.00 0.00 C ATOM 142 O PRO A 12 -2.595 11.451 -1.265 1.00 0.00 O ATOM 143 CB PRO A 12 -1.983 14.044 0.398 1.00 0.00 C ATOM 144 CG PRO A 12 -2.416 13.229 1.568 1.00 0.00 C ATOM 145 CD PRO A 12 -3.917 13.180 1.506 1.00 0.00 C ATOM 0 HA PRO A 12 -3.219 14.586 -1.350 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.978 13.771 0.076 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.962 15.106 0.641 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.991 12.226 1.524 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.079 13.678 2.502 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.304 12.235 1.887 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -4.370 13.973 2.101 1.00 0.00 H new ATOM 153 N ARG A 13 -2.002 13.016 -2.769 1.00 0.00 N ATOM 154 CA ARG A 13 -1.490 12.051 -3.735 1.00 0.00 C ATOM 155 C ARG A 13 0.010 12.238 -3.947 1.00 0.00 C ATOM 156 O ARG A 13 0.441 12.782 -4.964 1.00 0.00 O ATOM 157 CB ARG A 13 -2.226 12.192 -5.068 1.00 0.00 C ATOM 158 CG ARG A 13 -2.166 10.943 -5.932 1.00 0.00 C ATOM 159 CD ARG A 13 -0.854 10.856 -6.696 1.00 0.00 C ATOM 160 NE ARG A 13 0.227 10.326 -5.868 1.00 0.00 N ATOM 161 CZ ARG A 13 1.449 10.079 -6.325 1.00 0.00 C ATOM 162 NH1 ARG A 13 1.745 10.312 -7.597 1.00 0.00 N ATOM 163 NH2 ARG A 13 2.379 9.597 -5.510 1.00 0.00 N ATOM 0 H ARG A 13 -1.928 13.989 -3.065 1.00 0.00 H new ATOM 0 HA ARG A 13 -1.662 11.051 -3.338 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.270 12.439 -4.873 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.799 13.028 -5.622 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.282 10.059 -5.304 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.998 10.946 -6.636 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.986 10.220 -7.571 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.580 11.846 -7.060 1.00 0.00 H new ATOM 0 HE ARG A 13 0.032 10.135 -4.885 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.033 10.682 -8.227 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.685 10.121 -7.945 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.155 9.416 -4.531 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.317 9.408 -5.862 1.00 0.00 H new ATOM 177 N LYS A 14 0.800 11.785 -2.980 1.00 0.00 N ATOM 178 CA LYS A 14 2.251 11.901 -3.060 1.00 0.00 C ATOM 179 C LYS A 14 2.927 10.988 -2.041 1.00 0.00 C ATOM 180 O LYS A 14 2.537 10.947 -0.876 1.00 0.00 O ATOM 181 CB LYS A 14 2.681 13.351 -2.825 1.00 0.00 C ATOM 182 CG LYS A 14 1.804 14.092 -1.830 1.00 0.00 C ATOM 183 CD LYS A 14 2.413 15.427 -1.437 1.00 0.00 C ATOM 184 CE LYS A 14 1.591 16.119 -0.360 1.00 0.00 C ATOM 185 NZ LYS A 14 1.654 15.394 0.938 1.00 0.00 N ATOM 0 H LYS A 14 0.460 11.334 -2.131 1.00 0.00 H new ATOM 0 HA LYS A 14 2.560 11.594 -4.059 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.711 13.362 -2.468 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.667 13.884 -3.776 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.817 14.255 -2.264 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.664 13.479 -0.940 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.430 15.272 -1.077 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.480 16.070 -2.315 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.954 17.138 -0.225 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.553 16.191 -0.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.272 15.999 1.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.091 14.522 0.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.643 15.154 1.154 1.00 0.00 H new ATOM 199 N GLY A 15 3.944 10.259 -2.490 1.00 0.00 N ATOM 200 CA GLY A 15 4.658 9.357 -1.605 1.00 0.00 C ATOM 201 C GLY A 15 5.452 8.310 -2.361 1.00 0.00 C ATOM 202 O GLY A 15 5.220 8.083 -3.547 1.00 0.00 O ATOM 0 H GLY A 15 4.286 10.277 -3.451 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.333 9.933 -0.972 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.946 8.862 -0.945 1.00 0.00 H new ATOM 206 N ASN A 16 6.392 7.672 -1.672 1.00 0.00 N ATOM 207 CA ASN A 16 7.225 6.645 -2.287 1.00 0.00 C ATOM 208 C ASN A 16 7.069 5.312 -1.562 1.00 0.00 C ATOM 209 O ASN A 16 7.038 4.251 -2.187 1.00 0.00 O ATOM 210 CB ASN A 16 8.694 7.075 -2.275 1.00 0.00 C ATOM 211 CG ASN A 16 9.491 6.441 -3.399 1.00 0.00 C ATOM 212 OD1 ASN A 16 10.478 5.746 -3.159 1.00 0.00 O ATOM 213 ND2 ASN A 16 9.064 6.678 -4.634 1.00 0.00 N ATOM 0 H ASN A 16 6.596 7.848 -0.688 1.00 0.00 H new ATOM 0 HA ASN A 16 6.898 6.518 -3.319 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.753 8.160 -2.359 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.141 6.804 -1.319 1.00 0.00 H new ATOM 0 HD21 ASN A 16 9.559 6.277 -5.431 1.00 0.00 H new ATOM 0 HD22 ASN A 16 8.241 7.260 -4.786 1.00 0.00 H new ATOM 220 N THR A 17 6.969 5.373 -0.237 1.00 0.00 N ATOM 221 CA THR A 17 6.816 4.171 0.574 1.00 0.00 C ATOM 222 C THR A 17 5.350 3.771 0.692 1.00 0.00 C ATOM 223 O THR A 17 4.455 4.604 0.545 1.00 0.00 O ATOM 224 CB THR A 17 7.398 4.369 1.986 1.00 0.00 C ATOM 225 OG1 THR A 17 8.586 5.166 1.919 1.00 0.00 O ATOM 226 CG2 THR A 17 7.716 3.030 2.633 1.00 0.00 C ATOM 0 H THR A 17 6.991 6.242 0.297 1.00 0.00 H new ATOM 0 HA THR A 17 7.367 3.377 0.070 1.00 0.00 H new ATOM 0 HB THR A 17 6.652 4.880 2.594 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.949 5.289 2.821 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.126 3.196 3.629 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.804 2.437 2.709 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.446 2.496 2.025 1.00 0.00 H new ATOM 234 N LEU A 18 5.111 2.492 0.960 1.00 0.00 N ATOM 235 CA LEU A 18 3.752 1.981 1.099 1.00 0.00 C ATOM 236 C LEU A 18 3.664 0.970 2.238 1.00 0.00 C ATOM 237 O LEU A 18 4.401 -0.016 2.264 1.00 0.00 O ATOM 238 CB LEU A 18 3.293 1.334 -0.209 1.00 0.00 C ATOM 239 CG LEU A 18 3.704 2.053 -1.494 1.00 0.00 C ATOM 240 CD1 LEU A 18 3.341 1.219 -2.712 1.00 0.00 C ATOM 241 CD2 LEU A 18 3.049 3.425 -1.570 1.00 0.00 C ATOM 0 H LEU A 18 5.840 1.790 1.085 1.00 0.00 H new ATOM 0 HA LEU A 18 3.097 2.820 1.332 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.684 0.317 -0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.206 1.257 -0.191 1.00 0.00 H new ATOM 0 HG LEU A 18 4.785 2.189 -1.482 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.641 1.747 -3.617 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.857 0.260 -2.663 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.264 1.051 -2.730 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.353 3.923 -2.491 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.965 3.312 -1.559 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.360 4.024 -0.714 1.00 0.00 H new ATOM 253 N TYR A 19 2.758 1.220 3.176 1.00 0.00 N ATOM 254 CA TYR A 19 2.574 0.332 4.318 1.00 0.00 C ATOM 255 C TYR A 19 1.690 -0.855 3.948 1.00 0.00 C ATOM 256 O TYR A 19 0.472 -0.723 3.828 1.00 0.00 O ATOM 257 CB TYR A 19 1.957 1.096 5.491 1.00 0.00 C ATOM 258 CG TYR A 19 2.048 0.360 6.808 1.00 0.00 C ATOM 259 CD1 TYR A 19 1.257 -0.754 7.061 1.00 0.00 C ATOM 260 CD2 TYR A 19 2.927 0.777 7.800 1.00 0.00 C ATOM 261 CE1 TYR A 19 1.337 -1.429 8.263 1.00 0.00 C ATOM 262 CE2 TYR A 19 3.015 0.107 9.005 1.00 0.00 C ATOM 263 CZ TYR A 19 2.217 -0.995 9.232 1.00 0.00 C ATOM 264 OH TYR A 19 2.301 -1.666 10.431 1.00 0.00 O ATOM 0 H TYR A 19 2.139 2.031 3.168 1.00 0.00 H new ATOM 0 HA TYR A 19 3.553 -0.045 4.614 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.456 2.060 5.588 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.909 1.300 5.270 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.568 -1.098 6.304 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.552 1.640 7.626 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.714 -2.292 8.443 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.705 0.444 9.765 1.00 0.00 H new ATOM 0 HH TYR A 19 2.856 -2.466 10.320 1.00 0.00 H new ATOM 274 N VAL A 20 2.313 -2.015 3.768 1.00 0.00 N ATOM 275 CA VAL A 20 1.585 -3.227 3.414 1.00 0.00 C ATOM 276 C VAL A 20 1.295 -4.075 4.647 1.00 0.00 C ATOM 277 O VAL A 20 2.061 -4.070 5.611 1.00 0.00 O ATOM 278 CB VAL A 20 2.369 -4.075 2.395 1.00 0.00 C ATOM 279 CG1 VAL A 20 1.537 -5.264 1.937 1.00 0.00 C ATOM 280 CG2 VAL A 20 2.794 -3.223 1.208 1.00 0.00 C ATOM 0 H VAL A 20 3.321 -2.141 3.862 1.00 0.00 H new ATOM 0 HA VAL A 20 0.644 -2.910 2.965 1.00 0.00 H new ATOM 0 HB VAL A 20 3.268 -4.456 2.880 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.107 -5.851 1.217 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.287 -5.886 2.797 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.620 -4.907 1.468 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.347 -3.838 0.498 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.910 -2.811 0.721 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.430 -2.408 1.554 1.00 0.00 H new ATOM 290 N TYR A 21 0.184 -4.802 4.611 1.00 0.00 N ATOM 291 CA TYR A 21 -0.209 -5.654 5.727 1.00 0.00 C ATOM 292 C TYR A 21 -0.797 -6.970 5.227 1.00 0.00 C ATOM 293 O TYR A 21 -1.661 -6.984 4.351 1.00 0.00 O ATOM 294 CB TYR A 21 -1.225 -4.933 6.613 1.00 0.00 C ATOM 295 CG TYR A 21 -1.807 -5.806 7.702 1.00 0.00 C ATOM 296 CD1 TYR A 21 -2.878 -6.652 7.443 1.00 0.00 C ATOM 297 CD2 TYR A 21 -1.286 -5.785 8.990 1.00 0.00 C ATOM 298 CE1 TYR A 21 -3.413 -7.452 8.434 1.00 0.00 C ATOM 299 CE2 TYR A 21 -1.814 -6.582 9.987 1.00 0.00 C ATOM 300 CZ TYR A 21 -2.877 -7.413 9.705 1.00 0.00 C ATOM 301 OH TYR A 21 -3.407 -8.207 10.696 1.00 0.00 O ATOM 0 H TYR A 21 -0.461 -4.818 3.821 1.00 0.00 H new ATOM 0 HA TYR A 21 0.683 -5.875 6.314 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.746 -4.067 7.070 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.036 -4.556 5.989 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.300 -6.685 6.449 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.454 -5.134 9.215 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.246 -8.104 8.215 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.396 -6.554 10.982 1.00 0.00 H new ATOM 0 HH TYR A 21 -2.915 -8.061 11.531 1.00 0.00 H new ATOM 311 N GLY A 22 -0.321 -8.076 5.791 1.00 0.00 N ATOM 312 CA GLY A 22 -0.810 -9.383 5.391 1.00 0.00 C ATOM 313 C GLY A 22 -0.805 -10.378 6.534 1.00 0.00 C ATOM 314 O GLY A 22 -0.466 -10.032 7.665 1.00 0.00 O ATOM 0 H GLY A 22 0.395 -8.090 6.518 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.824 -9.285 5.003 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.193 -9.765 4.578 1.00 0.00 H new ATOM 318 N GLU A 23 -1.183 -11.618 6.239 1.00 0.00 N ATOM 319 CA GLU A 23 -1.222 -12.666 7.252 1.00 0.00 C ATOM 320 C GLU A 23 -0.439 -13.894 6.796 1.00 0.00 C ATOM 321 O GLU A 23 0.392 -14.422 7.535 1.00 0.00 O ATOM 322 CB GLU A 23 -2.670 -13.056 7.558 1.00 0.00 C ATOM 323 CG GLU A 23 -3.524 -11.895 8.041 1.00 0.00 C ATOM 324 CD GLU A 23 -4.730 -12.350 8.839 1.00 0.00 C ATOM 325 OE1 GLU A 23 -4.580 -12.595 10.055 1.00 0.00 O ATOM 326 OE2 GLU A 23 -5.824 -12.462 8.248 1.00 0.00 O ATOM 0 H GLU A 23 -1.466 -11.921 5.307 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.758 -12.277 8.158 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.121 -13.479 6.660 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.674 -13.839 8.316 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.915 -11.232 8.656 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.860 -11.314 7.182 1.00 0.00 H new ATOM 333 N ASP A 24 -0.711 -14.342 5.576 1.00 0.00 N ATOM 334 CA ASP A 24 -0.033 -15.507 5.020 1.00 0.00 C ATOM 335 C ASP A 24 0.751 -15.132 3.766 1.00 0.00 C ATOM 336 O ASP A 24 0.717 -15.846 2.765 1.00 0.00 O ATOM 337 CB ASP A 24 -1.045 -16.606 4.694 1.00 0.00 C ATOM 338 CG ASP A 24 -1.652 -17.222 5.939 1.00 0.00 C ATOM 339 OD1 ASP A 24 -2.281 -16.480 6.722 1.00 0.00 O ATOM 340 OD2 ASP A 24 -1.497 -18.447 6.132 1.00 0.00 O ATOM 0 H ASP A 24 -1.397 -13.916 4.953 1.00 0.00 H new ATOM 0 HA ASP A 24 0.668 -15.880 5.767 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.839 -16.192 4.073 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.556 -17.384 4.109 1.00 0.00 H new ATOM 345 N MET A 25 1.456 -14.007 3.829 1.00 0.00 N ATOM 346 CA MET A 25 2.249 -13.538 2.699 1.00 0.00 C ATOM 347 C MET A 25 3.735 -13.534 3.041 1.00 0.00 C ATOM 348 O MET A 25 4.114 -13.428 4.208 1.00 0.00 O ATOM 349 CB MET A 25 1.805 -12.133 2.285 1.00 0.00 C ATOM 350 CG MET A 25 1.299 -11.290 3.445 1.00 0.00 C ATOM 351 SD MET A 25 2.528 -11.093 4.749 1.00 0.00 S ATOM 352 CE MET A 25 2.809 -9.326 4.685 1.00 0.00 C ATOM 0 H MET A 25 1.494 -13.404 4.650 1.00 0.00 H new ATOM 0 HA MET A 25 2.088 -14.222 1.866 1.00 0.00 H new ATOM 0 HB2 MET A 25 2.643 -11.620 1.812 1.00 0.00 H new ATOM 0 HB3 MET A 25 1.018 -12.215 1.536 1.00 0.00 H new ATOM 0 HG2 MET A 25 1.007 -10.307 3.075 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.404 -11.752 3.862 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.452 -9.030 5.514 1.00 0.00 H new ATOM 0 HE2 MET A 25 3.291 -9.068 3.742 1.00 0.00 H new ATOM 0 HE3 MET A 25 1.856 -8.803 4.760 1.00 0.00 H new ATOM 362 N THR A 26 4.574 -13.652 2.017 1.00 0.00 N ATOM 363 CA THR A 26 6.019 -13.664 2.210 1.00 0.00 C ATOM 364 C THR A 26 6.697 -12.604 1.350 1.00 0.00 C ATOM 365 O THR A 26 6.164 -12.162 0.331 1.00 0.00 O ATOM 366 CB THR A 26 6.619 -15.042 1.875 1.00 0.00 C ATOM 367 OG1 THR A 26 6.014 -15.564 0.687 1.00 0.00 O ATOM 368 CG2 THR A 26 6.414 -16.016 3.025 1.00 0.00 C ATOM 0 H THR A 26 4.278 -13.741 1.045 1.00 0.00 H new ATOM 0 HA THR A 26 6.199 -13.444 3.262 1.00 0.00 H new ATOM 0 HB THR A 26 7.690 -14.918 1.712 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.402 -16.440 0.480 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.846 -16.982 2.765 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.901 -15.630 3.920 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.347 -16.135 3.215 1.00 0.00 H new ATOM 376 N PRO A 27 7.902 -12.184 1.766 1.00 0.00 N ATOM 377 CA PRO A 27 8.679 -11.172 1.046 1.00 0.00 C ATOM 378 C PRO A 27 8.759 -11.457 -0.450 1.00 0.00 C ATOM 379 O PRO A 27 8.319 -10.651 -1.271 1.00 0.00 O ATOM 380 CB PRO A 27 10.067 -11.271 1.684 1.00 0.00 C ATOM 381 CG PRO A 27 9.818 -11.804 3.052 1.00 0.00 C ATOM 382 CD PRO A 27 8.597 -12.667 2.970 1.00 0.00 C ATOM 0 HA PRO A 27 8.229 -10.182 1.122 1.00 0.00 H new ATOM 0 HB2 PRO A 27 10.718 -11.933 1.114 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.556 -10.297 1.721 1.00 0.00 H new ATOM 0 HG2 PRO A 27 10.674 -12.380 3.403 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.668 -10.990 3.762 1.00 0.00 H new ATOM 0 HD2 PRO A 27 8.858 -13.722 2.884 1.00 0.00 H new ATOM 0 HD3 PRO A 27 7.975 -12.564 3.859 1.00 0.00 H new ATOM 390 N THR A 28 9.322 -12.609 -0.799 1.00 0.00 N ATOM 391 CA THR A 28 9.460 -13.000 -2.196 1.00 0.00 C ATOM 392 C THR A 28 8.146 -12.825 -2.949 1.00 0.00 C ATOM 393 O THR A 28 8.138 -12.547 -4.149 1.00 0.00 O ATOM 394 CB THR A 28 9.922 -14.464 -2.327 1.00 0.00 C ATOM 395 OG1 THR A 28 11.209 -14.627 -1.722 1.00 0.00 O ATOM 396 CG2 THR A 28 9.986 -14.882 -3.788 1.00 0.00 C ATOM 0 H THR A 28 9.690 -13.288 -0.133 1.00 0.00 H new ATOM 0 HA THR A 28 10.216 -12.347 -2.633 1.00 0.00 H new ATOM 0 HB THR A 28 9.198 -15.098 -1.816 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.495 -15.560 -1.808 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.315 -15.919 -3.856 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.998 -14.784 -4.238 1.00 0.00 H new ATOM 0 HG23 THR A 28 10.691 -14.243 -4.319 1.00 0.00 H new ATOM 404 N LEU A 29 7.036 -12.986 -2.237 1.00 0.00 N ATOM 405 CA LEU A 29 5.714 -12.845 -2.838 1.00 0.00 C ATOM 406 C LEU A 29 5.434 -11.390 -3.201 1.00 0.00 C ATOM 407 O LEU A 29 5.082 -11.080 -4.340 1.00 0.00 O ATOM 408 CB LEU A 29 4.639 -13.359 -1.879 1.00 0.00 C ATOM 409 CG LEU A 29 3.274 -13.657 -2.499 1.00 0.00 C ATOM 410 CD1 LEU A 29 2.433 -14.505 -1.557 1.00 0.00 C ATOM 411 CD2 LEU A 29 2.551 -12.364 -2.844 1.00 0.00 C ATOM 0 H LEU A 29 7.025 -13.214 -1.243 1.00 0.00 H new ATOM 0 HA LEU A 29 5.692 -13.439 -3.751 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.008 -14.269 -1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.503 -12.621 -1.088 1.00 0.00 H new ATOM 0 HG LEU A 29 3.430 -14.219 -3.420 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.465 -14.707 -2.015 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.945 -15.447 -1.360 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.286 -13.970 -0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.581 -12.596 -3.284 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.407 -11.775 -1.938 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.146 -11.793 -3.557 1.00 0.00 H new ATOM 423 N LEU A 30 5.595 -10.501 -2.227 1.00 0.00 N ATOM 424 CA LEU A 30 5.362 -9.078 -2.444 1.00 0.00 C ATOM 425 C LEU A 30 6.261 -8.542 -3.554 1.00 0.00 C ATOM 426 O LEU A 30 5.918 -7.572 -4.230 1.00 0.00 O ATOM 427 CB LEU A 30 5.608 -8.297 -1.152 1.00 0.00 C ATOM 428 CG LEU A 30 5.052 -8.924 0.127 1.00 0.00 C ATOM 429 CD1 LEU A 30 5.252 -7.990 1.311 1.00 0.00 C ATOM 430 CD2 LEU A 30 3.578 -9.264 -0.043 1.00 0.00 C ATOM 0 H LEU A 30 5.886 -10.741 -1.279 1.00 0.00 H new ATOM 0 HA LEU A 30 4.323 -8.948 -2.748 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.683 -8.164 -1.030 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.175 -7.303 -1.264 1.00 0.00 H new ATOM 0 HG LEU A 30 5.598 -9.847 0.323 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.850 -8.453 2.212 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.316 -7.797 1.446 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.733 -7.050 1.124 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.199 -9.709 0.877 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.018 -8.355 -0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.460 -9.971 -0.864 1.00 0.00 H new ATOM 442 N ARG A 31 7.411 -9.181 -3.737 1.00 0.00 N ATOM 443 CA ARG A 31 8.359 -8.769 -4.766 1.00 0.00 C ATOM 444 C ARG A 31 7.744 -8.903 -6.156 1.00 0.00 C ATOM 445 O ARG A 31 7.870 -8.008 -6.990 1.00 0.00 O ATOM 446 CB ARG A 31 9.636 -9.607 -4.678 1.00 0.00 C ATOM 447 CG ARG A 31 10.665 -9.049 -3.708 1.00 0.00 C ATOM 448 CD ARG A 31 11.975 -9.818 -3.783 1.00 0.00 C ATOM 449 NE ARG A 31 12.850 -9.308 -4.835 1.00 0.00 N ATOM 450 CZ ARG A 31 12.821 -9.742 -6.090 1.00 0.00 C ATOM 451 NH1 ARG A 31 11.965 -10.690 -6.447 1.00 0.00 N ATOM 452 NH2 ARG A 31 13.649 -9.228 -6.990 1.00 0.00 N ATOM 0 H ARG A 31 7.709 -9.986 -3.186 1.00 0.00 H new ATOM 0 HA ARG A 31 8.608 -7.721 -4.597 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.375 -10.621 -4.374 1.00 0.00 H new ATOM 0 HB3 ARG A 31 10.084 -9.677 -5.669 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.846 -7.998 -3.932 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.272 -9.095 -2.692 1.00 0.00 H new ATOM 0 HD2 ARG A 31 12.488 -9.755 -2.823 1.00 0.00 H new ATOM 0 HD3 ARG A 31 11.766 -10.872 -3.965 1.00 0.00 H new ATOM 0 HE ARG A 31 13.520 -8.578 -4.593 1.00 0.00 H new ATOM 0 HH11 ARG A 31 11.327 -11.087 -5.757 1.00 0.00 H new ATOM 0 HH12 ARG A 31 11.944 -11.022 -7.411 1.00 0.00 H new ATOM 0 HH21 ARG A 31 14.309 -8.499 -6.718 1.00 0.00 H new ATOM 0 HH22 ARG A 31 13.626 -9.562 -7.954 1.00 0.00 H new ATOM 466 N GLY A 32 7.079 -10.029 -6.397 1.00 0.00 N ATOM 467 CA GLY A 32 6.456 -10.260 -7.687 1.00 0.00 C ATOM 468 C GLY A 32 5.050 -9.697 -7.761 1.00 0.00 C ATOM 469 O GLY A 32 4.431 -9.694 -8.825 1.00 0.00 O ATOM 0 H GLY A 32 6.961 -10.785 -5.722 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.067 -9.808 -8.468 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.426 -11.331 -7.886 1.00 0.00 H new ATOM 473 N ALA A 33 4.545 -9.222 -6.628 1.00 0.00 N ATOM 474 CA ALA A 33 3.204 -8.655 -6.569 1.00 0.00 C ATOM 475 C ALA A 33 3.244 -7.135 -6.695 1.00 0.00 C ATOM 476 O ALA A 33 2.355 -6.528 -7.291 1.00 0.00 O ATOM 477 CB ALA A 33 2.515 -9.060 -5.274 1.00 0.00 C ATOM 0 H ALA A 33 5.044 -9.219 -5.739 1.00 0.00 H new ATOM 0 HA ALA A 33 2.633 -9.049 -7.410 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.514 -8.629 -5.244 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.444 -10.147 -5.224 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.093 -8.695 -4.425 1.00 0.00 H new ATOM 483 N PHE A 34 4.282 -6.527 -6.129 1.00 0.00 N ATOM 484 CA PHE A 34 4.437 -5.078 -6.176 1.00 0.00 C ATOM 485 C PHE A 34 5.275 -4.660 -7.382 1.00 0.00 C ATOM 486 O PHE A 34 5.224 -3.511 -7.818 1.00 0.00 O ATOM 487 CB PHE A 34 5.089 -4.571 -4.888 1.00 0.00 C ATOM 488 CG PHE A 34 4.139 -4.494 -3.727 1.00 0.00 C ATOM 489 CD1 PHE A 34 3.683 -5.648 -3.110 1.00 0.00 C ATOM 490 CD2 PHE A 34 3.704 -3.268 -3.251 1.00 0.00 C ATOM 491 CE1 PHE A 34 2.809 -5.580 -2.042 1.00 0.00 C ATOM 492 CE2 PHE A 34 2.830 -3.193 -2.183 1.00 0.00 C ATOM 493 CZ PHE A 34 2.383 -4.351 -1.577 1.00 0.00 C ATOM 0 H PHE A 34 5.028 -7.015 -5.633 1.00 0.00 H new ATOM 0 HA PHE A 34 3.446 -4.635 -6.272 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.918 -5.229 -4.626 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.511 -3.582 -5.068 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.015 -6.611 -3.468 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.052 -2.360 -3.720 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.459 -6.487 -1.571 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.497 -2.231 -1.823 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.702 -4.296 -0.741 1.00 0.00 H new ATOM 503 N SER A 35 6.046 -5.603 -7.914 1.00 0.00 N ATOM 504 CA SER A 35 6.899 -5.333 -9.066 1.00 0.00 C ATOM 505 C SER A 35 6.067 -4.884 -10.264 1.00 0.00 C ATOM 506 O SER A 35 6.391 -3.913 -10.948 1.00 0.00 O ATOM 507 CB SER A 35 7.709 -6.579 -9.431 1.00 0.00 C ATOM 508 OG SER A 35 7.930 -6.651 -10.828 1.00 0.00 O ATOM 0 H SER A 35 6.098 -6.560 -7.566 1.00 0.00 H new ATOM 0 HA SER A 35 7.584 -4.528 -8.799 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.666 -6.561 -8.909 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.180 -7.471 -9.097 1.00 0.00 H new ATOM 0 HG SER A 35 8.451 -7.455 -11.036 1.00 0.00 H new ATOM 514 N PRO A 36 4.968 -5.608 -10.525 1.00 0.00 N ATOM 515 CA PRO A 36 4.067 -5.303 -11.640 1.00 0.00 C ATOM 516 C PRO A 36 3.696 -3.825 -11.699 1.00 0.00 C ATOM 517 O PRO A 36 3.358 -3.302 -12.760 1.00 0.00 O ATOM 518 CB PRO A 36 2.830 -6.154 -11.338 1.00 0.00 C ATOM 519 CG PRO A 36 3.341 -7.288 -10.519 1.00 0.00 C ATOM 520 CD PRO A 36 4.521 -6.778 -9.751 1.00 0.00 C ATOM 0 HA PRO A 36 4.525 -5.519 -12.605 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.078 -5.581 -10.795 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.360 -6.508 -12.255 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.569 -7.653 -9.842 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.628 -8.125 -11.156 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.246 -6.502 -8.733 1.00 0.00 H new ATOM 0 HD3 PRO A 36 5.305 -7.531 -9.677 1.00 0.00 H new ATOM 528 N PHE A 37 3.761 -3.158 -10.552 1.00 0.00 N ATOM 529 CA PHE A 37 3.431 -1.739 -10.473 1.00 0.00 C ATOM 530 C PHE A 37 4.652 -0.879 -10.786 1.00 0.00 C ATOM 531 O PHE A 37 4.526 0.243 -11.275 1.00 0.00 O ATOM 532 CB PHE A 37 2.894 -1.395 -9.082 1.00 0.00 C ATOM 533 CG PHE A 37 1.521 -1.943 -8.818 1.00 0.00 C ATOM 534 CD1 PHE A 37 1.357 -3.210 -8.282 1.00 0.00 C ATOM 535 CD2 PHE A 37 0.393 -1.191 -9.106 1.00 0.00 C ATOM 536 CE1 PHE A 37 0.095 -3.718 -8.037 1.00 0.00 C ATOM 537 CE2 PHE A 37 -0.872 -1.693 -8.863 1.00 0.00 C ATOM 538 CZ PHE A 37 -1.021 -2.958 -8.329 1.00 0.00 C ATOM 0 H PHE A 37 4.039 -3.577 -9.664 1.00 0.00 H new ATOM 0 HA PHE A 37 2.660 -1.529 -11.214 1.00 0.00 H new ATOM 0 HB2 PHE A 37 3.582 -1.782 -8.330 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.872 -0.311 -8.967 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.226 -3.808 -8.053 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.503 -0.202 -9.525 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -0.018 -4.707 -7.618 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.743 -1.096 -9.091 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.008 -3.352 -8.140 1.00 0.00 H new ATOM 548 N GLY A 38 5.835 -1.414 -10.499 1.00 0.00 N ATOM 549 CA GLY A 38 7.062 -0.682 -10.755 1.00 0.00 C ATOM 550 C GLY A 38 8.295 -1.443 -10.309 1.00 0.00 C ATOM 551 O GLY A 38 8.401 -2.649 -10.528 1.00 0.00 O ATOM 0 H GLY A 38 5.966 -2.341 -10.094 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.137 -0.467 -11.821 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.024 0.277 -10.238 1.00 0.00 H new ATOM 555 N ASN A 39 9.230 -0.736 -9.682 1.00 0.00 N ATOM 556 CA ASN A 39 10.463 -1.352 -9.206 1.00 0.00 C ATOM 557 C ASN A 39 10.591 -1.214 -7.692 1.00 0.00 C ATOM 558 O ASN A 39 10.481 -0.114 -7.148 1.00 0.00 O ATOM 559 CB ASN A 39 11.674 -0.716 -9.892 1.00 0.00 C ATOM 560 CG ASN A 39 12.988 -1.212 -9.322 1.00 0.00 C ATOM 561 OD1 ASN A 39 13.241 -2.416 -9.270 1.00 0.00 O ATOM 562 ND2 ASN A 39 13.833 -0.283 -8.889 1.00 0.00 N ATOM 0 H ASN A 39 9.157 0.263 -9.492 1.00 0.00 H new ATOM 0 HA ASN A 39 10.429 -2.413 -9.455 1.00 0.00 H new ATOM 0 HB2 ASN A 39 11.639 -0.933 -10.960 1.00 0.00 H new ATOM 0 HB3 ASN A 39 11.621 0.367 -9.786 1.00 0.00 H new ATOM 0 HD21 ASN A 39 14.733 -0.556 -8.494 1.00 0.00 H new ATOM 0 HD22 ASN A 39 13.582 0.704 -8.951 1.00 0.00 H new ATOM 569 N ILE A 40 10.826 -2.335 -7.019 1.00 0.00 N ATOM 570 CA ILE A 40 10.971 -2.337 -5.568 1.00 0.00 C ATOM 571 C ILE A 40 12.425 -2.128 -5.161 1.00 0.00 C ATOM 572 O ILE A 40 13.255 -3.027 -5.302 1.00 0.00 O ATOM 573 CB ILE A 40 10.462 -3.655 -4.954 1.00 0.00 C ATOM 574 CG1 ILE A 40 9.016 -3.918 -5.382 1.00 0.00 C ATOM 575 CG2 ILE A 40 10.571 -3.609 -3.437 1.00 0.00 C ATOM 576 CD1 ILE A 40 8.594 -5.362 -5.228 1.00 0.00 C ATOM 0 H ILE A 40 10.920 -3.253 -7.454 1.00 0.00 H new ATOM 0 HA ILE A 40 10.368 -1.512 -5.189 1.00 0.00 H new ATOM 0 HB ILE A 40 11.083 -4.473 -5.319 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.351 -3.288 -4.791 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.894 -3.621 -6.424 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.208 -4.547 -3.017 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.613 -3.463 -3.151 1.00 0.00 H new ATOM 0 HG23 ILE A 40 9.971 -2.784 -3.054 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.559 -5.475 -5.550 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.235 -5.996 -5.840 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.683 -5.658 -4.183 1.00 0.00 H new ATOM 588 N ILE A 41 12.726 -0.938 -4.653 1.00 0.00 N ATOM 589 CA ILE A 41 14.080 -0.612 -4.222 1.00 0.00 C ATOM 590 C ILE A 41 14.262 -0.880 -2.732 1.00 0.00 C ATOM 591 O ILE A 41 15.383 -1.068 -2.258 1.00 0.00 O ATOM 592 CB ILE A 41 14.424 0.861 -4.513 1.00 0.00 C ATOM 593 CG1 ILE A 41 13.260 1.768 -4.111 1.00 0.00 C ATOM 594 CG2 ILE A 41 14.763 1.045 -5.985 1.00 0.00 C ATOM 595 CD1 ILE A 41 13.589 3.243 -4.184 1.00 0.00 C ATOM 0 H ILE A 41 12.051 -0.184 -4.530 1.00 0.00 H new ATOM 0 HA ILE A 41 14.755 -1.253 -4.789 1.00 0.00 H new ATOM 0 HB ILE A 41 15.297 1.139 -3.922 1.00 0.00 H new ATOM 0 HG12 ILE A 41 12.409 1.562 -4.760 1.00 0.00 H new ATOM 0 HG13 ILE A 41 12.953 1.522 -3.094 1.00 0.00 H new ATOM 0 HG21 ILE A 41 15.004 2.091 -6.175 1.00 0.00 H new ATOM 0 HG22 ILE A 41 15.621 0.423 -6.241 1.00 0.00 H new ATOM 0 HG23 ILE A 41 13.908 0.753 -6.595 1.00 0.00 H new ATOM 0 HD11 ILE A 41 12.717 3.825 -3.885 1.00 0.00 H new ATOM 0 HD12 ILE A 41 14.420 3.464 -3.514 1.00 0.00 H new ATOM 0 HD13 ILE A 41 13.867 3.504 -5.205 1.00 0.00 H new ATOM 607 N ASP A 42 13.154 -0.899 -2.000 1.00 0.00 N ATOM 608 CA ASP A 42 13.190 -1.148 -0.564 1.00 0.00 C ATOM 609 C ASP A 42 11.959 -1.929 -0.116 1.00 0.00 C ATOM 610 O ASP A 42 10.840 -1.413 -0.141 1.00 0.00 O ATOM 611 CB ASP A 42 13.278 0.173 0.202 1.00 0.00 C ATOM 612 CG ASP A 42 13.997 0.026 1.528 1.00 0.00 C ATOM 613 OD1 ASP A 42 13.816 -1.018 2.190 1.00 0.00 O ATOM 614 OD2 ASP A 42 14.742 0.955 1.905 1.00 0.00 O ATOM 0 H ASP A 42 12.219 -0.745 -2.378 1.00 0.00 H new ATOM 0 HA ASP A 42 14.075 -1.745 -0.346 1.00 0.00 H new ATOM 0 HB2 ASP A 42 13.797 0.911 -0.410 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.273 0.556 0.378 1.00 0.00 H new ATOM 619 N LEU A 43 12.171 -3.175 0.292 1.00 0.00 N ATOM 620 CA LEU A 43 11.077 -4.028 0.744 1.00 0.00 C ATOM 621 C LEU A 43 11.458 -4.768 2.023 1.00 0.00 C ATOM 622 O LEU A 43 12.288 -5.677 2.003 1.00 0.00 O ATOM 623 CB LEU A 43 10.703 -5.032 -0.347 1.00 0.00 C ATOM 624 CG LEU A 43 9.825 -6.205 0.093 1.00 0.00 C ATOM 625 CD1 LEU A 43 8.515 -5.702 0.678 1.00 0.00 C ATOM 626 CD2 LEU A 43 9.564 -7.143 -1.077 1.00 0.00 C ATOM 0 H LEU A 43 13.090 -3.617 0.319 1.00 0.00 H new ATOM 0 HA LEU A 43 10.216 -3.393 0.955 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.187 -4.497 -1.144 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.622 -5.432 -0.775 1.00 0.00 H new ATOM 0 HG LEU A 43 10.355 -6.760 0.867 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.904 -6.551 0.985 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.721 -5.071 1.543 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.979 -5.123 -0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.938 -7.972 -0.746 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.055 -6.599 -1.873 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.512 -7.531 -1.451 1.00 0.00 H new ATOM 638 N SER A 44 10.843 -4.374 3.134 1.00 0.00 N ATOM 639 CA SER A 44 11.118 -4.998 4.422 1.00 0.00 C ATOM 640 C SER A 44 9.869 -5.678 4.974 1.00 0.00 C ATOM 641 O SER A 44 8.779 -5.106 4.959 1.00 0.00 O ATOM 642 CB SER A 44 11.627 -3.956 5.420 1.00 0.00 C ATOM 643 OG SER A 44 13.012 -3.714 5.242 1.00 0.00 O ATOM 0 H SER A 44 10.151 -3.625 3.167 1.00 0.00 H new ATOM 0 HA SER A 44 11.888 -5.755 4.273 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.073 -3.026 5.294 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.443 -4.301 6.437 1.00 0.00 H new ATOM 0 HG SER A 44 13.313 -3.043 5.890 1.00 0.00 H new ATOM 649 N MET A 45 10.036 -6.904 5.460 1.00 0.00 N ATOM 650 CA MET A 45 8.922 -7.662 6.018 1.00 0.00 C ATOM 651 C MET A 45 9.144 -7.942 7.501 1.00 0.00 C ATOM 652 O MET A 45 10.201 -8.432 7.899 1.00 0.00 O ATOM 653 CB MET A 45 8.744 -8.979 5.260 1.00 0.00 C ATOM 654 CG MET A 45 7.809 -8.871 4.066 1.00 0.00 C ATOM 655 SD MET A 45 6.077 -9.083 4.518 1.00 0.00 S ATOM 656 CE MET A 45 5.682 -10.597 3.647 1.00 0.00 C ATOM 0 H MET A 45 10.931 -7.393 5.479 1.00 0.00 H new ATOM 0 HA MET A 45 8.017 -7.064 5.911 1.00 0.00 H new ATOM 0 HB2 MET A 45 9.719 -9.326 4.918 1.00 0.00 H new ATOM 0 HB3 MET A 45 8.359 -9.734 5.945 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.940 -7.898 3.594 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.082 -9.624 3.326 1.00 0.00 H new ATOM 0 HE1 MET A 45 4.830 -10.426 2.988 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.542 -10.911 3.055 1.00 0.00 H new ATOM 0 HE3 MET A 45 5.433 -11.377 4.367 1.00 0.00 H new ATOM 666 N ASP A 46 8.141 -7.627 8.314 1.00 0.00 N ATOM 667 CA ASP A 46 8.227 -7.846 9.754 1.00 0.00 C ATOM 668 C ASP A 46 7.120 -8.782 10.228 1.00 0.00 C ATOM 669 O ASP A 46 5.992 -8.366 10.493 1.00 0.00 O ATOM 670 CB ASP A 46 8.139 -6.513 10.499 1.00 0.00 C ATOM 671 CG ASP A 46 9.443 -5.741 10.462 1.00 0.00 C ATOM 672 OD1 ASP A 46 9.760 -5.162 9.401 1.00 0.00 O ATOM 673 OD2 ASP A 46 10.147 -5.716 11.493 1.00 0.00 O ATOM 0 H ASP A 46 7.260 -7.220 8.001 1.00 0.00 H new ATOM 0 HA ASP A 46 9.189 -8.312 9.970 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.348 -5.906 10.059 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.859 -6.698 11.536 1.00 0.00 H new ATOM 678 N PRO A 47 7.447 -10.078 10.337 1.00 0.00 N ATOM 679 CA PRO A 47 6.494 -11.101 10.779 1.00 0.00 C ATOM 680 C PRO A 47 5.742 -10.687 12.039 1.00 0.00 C ATOM 681 O PRO A 47 4.530 -10.869 12.156 1.00 0.00 O ATOM 682 CB PRO A 47 7.383 -12.315 11.061 1.00 0.00 C ATOM 683 CG PRO A 47 8.576 -12.122 10.190 1.00 0.00 C ATOM 684 CD PRO A 47 8.773 -10.645 10.037 1.00 0.00 C ATOM 0 HA PRO A 47 5.720 -11.286 10.034 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.665 -12.364 12.113 1.00 0.00 H new ATOM 0 HB3 PRO A 47 6.868 -13.246 10.826 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.457 -12.584 10.635 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.425 -12.593 9.219 1.00 0.00 H new ATOM 0 HD2 PRO A 47 9.532 -10.270 10.723 1.00 0.00 H new ATOM 0 HD3 PRO A 47 9.099 -10.388 9.029 1.00 0.00 H new ATOM 692 N PRO A 48 6.475 -10.114 13.005 1.00 0.00 N ATOM 693 CA PRO A 48 5.897 -9.661 14.274 1.00 0.00 C ATOM 694 C PRO A 48 4.635 -8.831 14.072 1.00 0.00 C ATOM 695 O PRO A 48 3.598 -9.104 14.677 1.00 0.00 O ATOM 696 CB PRO A 48 7.009 -8.804 14.884 1.00 0.00 C ATOM 697 CG PRO A 48 8.268 -9.340 14.294 1.00 0.00 C ATOM 698 CD PRO A 48 7.925 -9.865 12.934 1.00 0.00 C ATOM 0 HA PRO A 48 5.590 -10.496 14.903 1.00 0.00 H new ATOM 0 HB2 PRO A 48 6.875 -7.750 14.640 1.00 0.00 H new ATOM 0 HB3 PRO A 48 7.017 -8.881 15.971 1.00 0.00 H new ATOM 0 HG2 PRO A 48 9.025 -8.559 14.226 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.681 -10.131 14.920 1.00 0.00 H new ATOM 0 HD2 PRO A 48 8.169 -9.143 12.154 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.476 -10.778 12.707 1.00 0.00 H new ATOM 706 N ARG A 49 4.729 -7.817 13.218 1.00 0.00 N ATOM 707 CA ARG A 49 3.594 -6.947 12.937 1.00 0.00 C ATOM 708 C ARG A 49 2.866 -7.393 11.672 1.00 0.00 C ATOM 709 O ARG A 49 2.032 -6.666 11.135 1.00 0.00 O ATOM 710 CB ARG A 49 4.060 -5.498 12.785 1.00 0.00 C ATOM 711 CG ARG A 49 4.418 -4.831 14.104 1.00 0.00 C ATOM 712 CD ARG A 49 3.186 -4.272 14.797 1.00 0.00 C ATOM 713 NE ARG A 49 3.534 -3.453 15.955 1.00 0.00 N ATOM 714 CZ ARG A 49 3.813 -3.955 17.153 1.00 0.00 C ATOM 715 NH1 ARG A 49 3.785 -5.266 17.349 1.00 0.00 N ATOM 716 NH2 ARG A 49 4.121 -3.145 18.158 1.00 0.00 N ATOM 0 H ARG A 49 5.580 -7.578 12.709 1.00 0.00 H new ATOM 0 HA ARG A 49 2.902 -7.013 13.776 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.929 -5.472 12.127 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.274 -4.922 12.298 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.908 -5.553 14.757 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.132 -4.027 13.925 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.612 -3.674 14.089 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.544 -5.094 15.114 1.00 0.00 H new ATOM 0 HE ARG A 49 3.565 -2.440 15.838 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.549 -5.892 16.579 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.000 -5.649 18.270 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.144 -2.136 18.011 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.335 -3.532 19.077 1.00 0.00 H new ATOM 730 N ASN A 50 3.189 -8.593 11.202 1.00 0.00 N ATOM 731 CA ASN A 50 2.567 -9.136 10.000 1.00 0.00 C ATOM 732 C ASN A 50 2.373 -8.048 8.949 1.00 0.00 C ATOM 733 O ASN A 50 1.375 -8.038 8.228 1.00 0.00 O ATOM 734 CB ASN A 50 1.221 -9.777 10.342 1.00 0.00 C ATOM 735 CG ASN A 50 1.335 -10.808 11.449 1.00 0.00 C ATOM 736 OD1 ASN A 50 1.234 -12.010 11.205 1.00 0.00 O ATOM 737 ND2 ASN A 50 1.546 -10.340 12.673 1.00 0.00 N ATOM 0 H ASN A 50 3.878 -9.208 11.635 1.00 0.00 H new ATOM 0 HA ASN A 50 3.230 -9.898 9.590 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.518 -9.000 10.644 1.00 0.00 H new ATOM 0 HB3 ASN A 50 0.810 -10.250 9.450 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.631 -10.985 13.458 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.623 -9.335 12.828 1.00 0.00 H new ATOM 744 N CYS A 51 3.334 -7.134 8.867 1.00 0.00 N ATOM 745 CA CYS A 51 3.269 -6.041 7.904 1.00 0.00 C ATOM 746 C CYS A 51 4.593 -5.892 7.161 1.00 0.00 C ATOM 747 O CYS A 51 5.585 -6.531 7.506 1.00 0.00 O ATOM 748 CB CYS A 51 2.917 -4.731 8.611 1.00 0.00 C ATOM 749 SG CYS A 51 4.086 -4.254 9.905 1.00 0.00 S ATOM 0 H CYS A 51 4.167 -7.128 9.456 1.00 0.00 H new ATOM 0 HA CYS A 51 2.490 -6.274 7.178 1.00 0.00 H new ATOM 0 HB2 CYS A 51 2.866 -3.933 7.870 1.00 0.00 H new ATOM 0 HB3 CYS A 51 1.923 -4.823 9.050 1.00 0.00 H new ATOM 0 HG CYS A 51 5.228 -4.839 9.696 1.00 0.00 H new ATOM 755 N ALA A 52 4.598 -5.044 6.137 1.00 0.00 N ATOM 756 CA ALA A 52 5.799 -4.810 5.345 1.00 0.00 C ATOM 757 C ALA A 52 5.814 -3.396 4.774 1.00 0.00 C ATOM 758 O ALA A 52 4.794 -2.707 4.769 1.00 0.00 O ATOM 759 CB ALA A 52 5.900 -5.835 4.225 1.00 0.00 C ATOM 0 H ALA A 52 3.784 -4.508 5.837 1.00 0.00 H new ATOM 0 HA ALA A 52 6.663 -4.918 6.000 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.801 -5.649 3.641 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.945 -6.837 4.652 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.026 -5.755 3.578 1.00 0.00 H new ATOM 765 N PHE A 53 6.978 -2.969 4.295 1.00 0.00 N ATOM 766 CA PHE A 53 7.126 -1.636 3.723 1.00 0.00 C ATOM 767 C PHE A 53 7.759 -1.706 2.337 1.00 0.00 C ATOM 768 O PHE A 53 8.971 -1.878 2.203 1.00 0.00 O ATOM 769 CB PHE A 53 7.978 -0.756 4.641 1.00 0.00 C ATOM 770 CG PHE A 53 7.623 -0.887 6.095 1.00 0.00 C ATOM 771 CD1 PHE A 53 6.497 -0.261 6.606 1.00 0.00 C ATOM 772 CD2 PHE A 53 8.416 -1.634 6.950 1.00 0.00 C ATOM 773 CE1 PHE A 53 6.168 -0.380 7.943 1.00 0.00 C ATOM 774 CE2 PHE A 53 8.091 -1.757 8.288 1.00 0.00 C ATOM 775 CZ PHE A 53 6.966 -1.128 8.785 1.00 0.00 C ATOM 0 H PHE A 53 7.832 -3.527 4.292 1.00 0.00 H new ATOM 0 HA PHE A 53 6.133 -1.196 3.628 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.028 -1.015 4.507 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.865 0.286 4.340 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.870 0.326 5.952 1.00 0.00 H new ATOM 0 HD2 PHE A 53 9.298 -2.126 6.567 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.287 0.112 8.329 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.716 -2.344 8.944 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.711 -1.221 9.830 1.00 0.00 H new ATOM 785 N VAL A 54 6.929 -1.572 1.307 1.00 0.00 N ATOM 786 CA VAL A 54 7.406 -1.619 -0.070 1.00 0.00 C ATOM 787 C VAL A 54 7.592 -0.216 -0.636 1.00 0.00 C ATOM 788 O VAL A 54 6.659 0.588 -0.652 1.00 0.00 O ATOM 789 CB VAL A 54 6.435 -2.401 -0.974 1.00 0.00 C ATOM 790 CG1 VAL A 54 6.946 -2.433 -2.406 1.00 0.00 C ATOM 791 CG2 VAL A 54 6.230 -3.811 -0.441 1.00 0.00 C ATOM 0 H VAL A 54 5.923 -1.430 1.400 1.00 0.00 H new ATOM 0 HA VAL A 54 8.368 -2.131 -0.054 1.00 0.00 H new ATOM 0 HB VAL A 54 5.472 -1.891 -0.969 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.247 -2.990 -3.030 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.036 -1.414 -2.783 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.922 -2.918 -2.433 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.541 -4.349 -1.092 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.187 -4.333 -0.414 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.815 -3.763 0.566 1.00 0.00 H new ATOM 801 N THR A 55 8.803 0.074 -1.101 1.00 0.00 N ATOM 802 CA THR A 55 9.112 1.381 -1.668 1.00 0.00 C ATOM 803 C THR A 55 9.269 1.300 -3.182 1.00 0.00 C ATOM 804 O THR A 55 9.910 0.386 -3.702 1.00 0.00 O ATOM 805 CB THR A 55 10.400 1.967 -1.060 1.00 0.00 C ATOM 806 OG1 THR A 55 10.359 1.862 0.367 1.00 0.00 O ATOM 807 CG2 THR A 55 10.574 3.423 -1.462 1.00 0.00 C ATOM 0 H THR A 55 9.586 -0.579 -1.096 1.00 0.00 H new ATOM 0 HA THR A 55 8.275 2.036 -1.427 1.00 0.00 H new ATOM 0 HB THR A 55 11.248 1.398 -1.442 1.00 0.00 H new ATOM 0 HG1 THR A 55 11.100 2.373 0.754 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.490 3.815 -1.021 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.634 3.496 -2.548 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.723 4.003 -1.106 1.00 0.00 H new ATOM 815 N TYR A 56 8.681 2.261 -3.885 1.00 0.00 N ATOM 816 CA TYR A 56 8.754 2.298 -5.341 1.00 0.00 C ATOM 817 C TYR A 56 9.747 3.357 -5.810 1.00 0.00 C ATOM 818 O TYR A 56 9.849 4.432 -5.220 1.00 0.00 O ATOM 819 CB TYR A 56 7.373 2.578 -5.936 1.00 0.00 C ATOM 820 CG TYR A 56 6.458 1.375 -5.936 1.00 0.00 C ATOM 821 CD1 TYR A 56 6.895 0.146 -6.416 1.00 0.00 C ATOM 822 CD2 TYR A 56 5.157 1.466 -5.458 1.00 0.00 C ATOM 823 CE1 TYR A 56 6.062 -0.956 -6.419 1.00 0.00 C ATOM 824 CE2 TYR A 56 4.318 0.369 -5.456 1.00 0.00 C ATOM 825 CZ TYR A 56 4.775 -0.840 -5.938 1.00 0.00 C ATOM 826 OH TYR A 56 3.942 -1.935 -5.938 1.00 0.00 O ATOM 0 H TYR A 56 8.148 3.025 -3.470 1.00 0.00 H new ATOM 0 HA TYR A 56 9.099 1.324 -5.686 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.901 3.383 -5.373 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.493 2.933 -6.960 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.903 0.051 -6.793 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.795 2.411 -5.081 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.417 -1.904 -6.796 1.00 0.00 H new ATOM 0 HE2 TYR A 56 3.310 0.457 -5.079 1.00 0.00 H new ATOM 0 HH TYR A 56 4.219 -2.557 -6.643 1.00 0.00 H new ATOM 836 N GLU A 57 10.477 3.044 -6.877 1.00 0.00 N ATOM 837 CA GLU A 57 11.462 3.969 -7.425 1.00 0.00 C ATOM 838 C GLU A 57 10.836 5.334 -7.695 1.00 0.00 C ATOM 839 O GLU A 57 11.479 6.370 -7.526 1.00 0.00 O ATOM 840 CB GLU A 57 12.060 3.405 -8.716 1.00 0.00 C ATOM 841 CG GLU A 57 13.275 4.172 -9.209 1.00 0.00 C ATOM 842 CD GLU A 57 14.572 3.652 -8.619 1.00 0.00 C ATOM 843 OE1 GLU A 57 15.034 2.578 -9.056 1.00 0.00 O ATOM 844 OE2 GLU A 57 15.124 4.319 -7.719 1.00 0.00 O ATOM 0 H GLU A 57 10.405 2.158 -7.378 1.00 0.00 H new ATOM 0 HA GLU A 57 12.256 4.093 -6.689 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.339 2.364 -8.553 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.296 3.412 -9.494 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.324 4.109 -10.296 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.162 5.226 -8.956 1.00 0.00 H new ATOM 851 N LYS A 58 9.576 5.327 -8.117 1.00 0.00 N ATOM 852 CA LYS A 58 8.860 6.563 -8.411 1.00 0.00 C ATOM 853 C LYS A 58 7.720 6.780 -7.421 1.00 0.00 C ATOM 854 O LYS A 58 7.354 5.873 -6.674 1.00 0.00 O ATOM 855 CB LYS A 58 8.310 6.531 -9.839 1.00 0.00 C ATOM 856 CG LYS A 58 9.293 5.980 -10.857 1.00 0.00 C ATOM 857 CD LYS A 58 9.145 4.476 -11.017 1.00 0.00 C ATOM 858 CE LYS A 58 8.078 4.127 -12.043 1.00 0.00 C ATOM 859 NZ LYS A 58 6.728 4.015 -11.424 1.00 0.00 N ATOM 0 H LYS A 58 9.029 4.478 -8.263 1.00 0.00 H new ATOM 0 HA LYS A 58 9.562 7.391 -8.317 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.404 5.926 -9.857 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.024 7.541 -10.132 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.133 6.467 -11.819 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.311 6.215 -10.546 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.099 4.046 -11.322 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.887 4.030 -10.056 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.059 4.891 -12.821 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.335 3.185 -12.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.054 3.645 -12.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.772 3.368 -10.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.414 4.953 -11.104 1.00 0.00 H new ATOM 873 N MET A 59 7.163 7.987 -7.422 1.00 0.00 N ATOM 874 CA MET A 59 6.063 8.321 -6.525 1.00 0.00 C ATOM 875 C MET A 59 4.729 7.866 -7.109 1.00 0.00 C ATOM 876 O MET A 59 3.832 7.448 -6.378 1.00 0.00 O ATOM 877 CB MET A 59 6.031 9.828 -6.262 1.00 0.00 C ATOM 878 CG MET A 59 6.037 10.666 -7.530 1.00 0.00 C ATOM 879 SD MET A 59 5.885 12.432 -7.196 1.00 0.00 S ATOM 880 CE MET A 59 7.608 12.920 -7.169 1.00 0.00 C ATOM 0 H MET A 59 7.455 8.749 -8.034 1.00 0.00 H new ATOM 0 HA MET A 59 6.224 7.799 -5.582 1.00 0.00 H new ATOM 0 HB2 MET A 59 5.140 10.068 -5.682 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.892 10.101 -5.652 1.00 0.00 H new ATOM 0 HG2 MET A 59 6.961 10.482 -8.078 1.00 0.00 H new ATOM 0 HG3 MET A 59 5.216 10.350 -8.174 1.00 0.00 H new ATOM 0 HE1 MET A 59 7.680 13.990 -6.973 1.00 0.00 H new ATOM 0 HE2 MET A 59 8.129 12.371 -6.385 1.00 0.00 H new ATOM 0 HE3 MET A 59 8.065 12.696 -8.133 1.00 0.00 H new ATOM 890 N GLU A 60 4.605 7.952 -8.430 1.00 0.00 N ATOM 891 CA GLU A 60 3.380 7.550 -9.110 1.00 0.00 C ATOM 892 C GLU A 60 2.905 6.187 -8.615 1.00 0.00 C ATOM 893 O GLU A 60 1.744 6.020 -8.242 1.00 0.00 O ATOM 894 CB GLU A 60 3.600 7.507 -10.623 1.00 0.00 C ATOM 895 CG GLU A 60 4.798 6.670 -11.040 1.00 0.00 C ATOM 896 CD GLU A 60 5.150 6.844 -12.505 1.00 0.00 C ATOM 897 OE1 GLU A 60 5.614 7.943 -12.876 1.00 0.00 O ATOM 898 OE2 GLU A 60 4.962 5.883 -13.279 1.00 0.00 O ATOM 0 H GLU A 60 5.338 8.296 -9.050 1.00 0.00 H new ATOM 0 HA GLU A 60 2.611 8.288 -8.883 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.705 7.109 -11.101 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.732 8.524 -10.992 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.658 6.943 -10.429 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.588 5.619 -10.843 1.00 0.00 H new ATOM 905 N SER A 61 3.812 5.215 -8.615 1.00 0.00 N ATOM 906 CA SER A 61 3.485 3.865 -8.170 1.00 0.00 C ATOM 907 C SER A 61 2.819 3.891 -6.798 1.00 0.00 C ATOM 908 O SER A 61 1.770 3.282 -6.594 1.00 0.00 O ATOM 909 CB SER A 61 4.748 3.002 -8.121 1.00 0.00 C ATOM 910 OG SER A 61 5.313 2.851 -9.411 1.00 0.00 O ATOM 0 H SER A 61 4.778 5.337 -8.918 1.00 0.00 H new ATOM 0 HA SER A 61 2.785 3.433 -8.885 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.478 3.458 -7.452 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.507 2.022 -7.709 1.00 0.00 H new ATOM 0 HG SER A 61 5.000 2.012 -9.809 1.00 0.00 H new ATOM 916 N ALA A 62 3.438 4.601 -5.860 1.00 0.00 N ATOM 917 CA ALA A 62 2.906 4.709 -4.508 1.00 0.00 C ATOM 918 C ALA A 62 1.384 4.806 -4.523 1.00 0.00 C ATOM 919 O ALA A 62 0.693 3.973 -3.935 1.00 0.00 O ATOM 920 CB ALA A 62 3.506 5.914 -3.799 1.00 0.00 C ATOM 0 H ALA A 62 4.309 5.110 -6.012 1.00 0.00 H new ATOM 0 HA ALA A 62 3.181 3.806 -3.963 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.099 5.982 -2.790 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.589 5.804 -3.747 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.260 6.821 -4.351 1.00 0.00 H new ATOM 926 N ASP A 63 0.867 5.827 -5.198 1.00 0.00 N ATOM 927 CA ASP A 63 -0.573 6.032 -5.290 1.00 0.00 C ATOM 928 C ASP A 63 -1.237 4.894 -6.058 1.00 0.00 C ATOM 929 O ASP A 63 -2.336 4.460 -5.716 1.00 0.00 O ATOM 930 CB ASP A 63 -0.877 7.368 -5.970 1.00 0.00 C ATOM 931 CG ASP A 63 -2.190 7.346 -6.728 1.00 0.00 C ATOM 932 OD1 ASP A 63 -3.252 7.264 -6.075 1.00 0.00 O ATOM 933 OD2 ASP A 63 -2.156 7.412 -7.975 1.00 0.00 O ATOM 0 H ASP A 63 1.424 6.526 -5.690 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.978 6.047 -4.278 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.908 8.156 -5.218 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.068 7.615 -6.657 1.00 0.00 H new ATOM 938 N GLN A 64 -0.561 4.415 -7.098 1.00 0.00 N ATOM 939 CA GLN A 64 -1.086 3.328 -7.915 1.00 0.00 C ATOM 940 C GLN A 64 -1.364 2.093 -7.065 1.00 0.00 C ATOM 941 O GLN A 64 -2.515 1.695 -6.889 1.00 0.00 O ATOM 942 CB GLN A 64 -0.101 2.981 -9.033 1.00 0.00 C ATOM 943 CG GLN A 64 0.019 4.061 -10.096 1.00 0.00 C ATOM 944 CD GLN A 64 0.448 3.511 -11.442 1.00 0.00 C ATOM 945 OE1 GLN A 64 -0.383 3.257 -12.315 1.00 0.00 O ATOM 946 NE2 GLN A 64 1.751 3.324 -11.617 1.00 0.00 N ATOM 0 H GLN A 64 0.351 4.763 -7.394 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.025 3.661 -8.357 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.882 2.801 -8.597 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.415 2.051 -9.506 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.940 4.567 -10.204 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.740 4.810 -9.768 1.00 0.00 H new ATOM 0 HE21 GLN A 64 2.404 3.548 -10.866 1.00 0.00 H new ATOM 0 HE22 GLN A 64 2.099 2.956 -12.502 1.00 0.00 H new ATOM 955 N ALA A 65 -0.302 1.490 -6.540 1.00 0.00 N ATOM 956 CA ALA A 65 -0.432 0.302 -5.706 1.00 0.00 C ATOM 957 C ALA A 65 -1.516 0.488 -4.650 1.00 0.00 C ATOM 958 O ALA A 65 -2.454 -0.304 -4.561 1.00 0.00 O ATOM 959 CB ALA A 65 0.899 -0.030 -5.048 1.00 0.00 C ATOM 0 H ALA A 65 0.658 1.805 -6.678 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.725 -0.530 -6.346 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.787 -0.920 -4.428 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.649 -0.216 -5.817 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.217 0.807 -4.427 1.00 0.00 H new ATOM 965 N VAL A 66 -1.380 1.540 -3.849 1.00 0.00 N ATOM 966 CA VAL A 66 -2.347 1.831 -2.797 1.00 0.00 C ATOM 967 C VAL A 66 -3.764 1.894 -3.357 1.00 0.00 C ATOM 968 O VAL A 66 -4.741 1.810 -2.612 1.00 0.00 O ATOM 969 CB VAL A 66 -2.026 3.161 -2.091 1.00 0.00 C ATOM 970 CG1 VAL A 66 -3.246 3.678 -1.344 1.00 0.00 C ATOM 971 CG2 VAL A 66 -0.845 2.992 -1.148 1.00 0.00 C ATOM 0 H VAL A 66 -0.609 2.205 -3.909 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.281 1.019 -2.072 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.755 3.897 -2.848 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.999 4.619 -0.852 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.062 3.840 -2.048 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.552 2.946 -0.596 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.632 3.942 -0.658 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.085 2.241 -0.395 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.030 2.672 -1.714 1.00 0.00 H new ATOM 981 N ALA A 67 -3.869 2.041 -4.673 1.00 0.00 N ATOM 982 CA ALA A 67 -5.166 2.113 -5.333 1.00 0.00 C ATOM 983 C ALA A 67 -5.639 0.729 -5.766 1.00 0.00 C ATOM 984 O ALA A 67 -6.821 0.406 -5.659 1.00 0.00 O ATOM 985 CB ALA A 67 -5.098 3.048 -6.532 1.00 0.00 C ATOM 0 H ALA A 67 -3.071 2.113 -5.304 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.888 2.509 -4.618 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.074 3.092 -7.015 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.813 4.046 -6.199 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.358 2.677 -7.241 1.00 0.00 H new ATOM 991 N GLU A 68 -4.708 -0.083 -6.256 1.00 0.00 N ATOM 992 CA GLU A 68 -5.031 -1.432 -6.707 1.00 0.00 C ATOM 993 C GLU A 68 -4.711 -2.458 -5.624 1.00 0.00 C ATOM 994 O GLU A 68 -5.587 -3.201 -5.179 1.00 0.00 O ATOM 995 CB GLU A 68 -4.260 -1.765 -7.985 1.00 0.00 C ATOM 996 CG GLU A 68 -4.590 -0.849 -9.152 1.00 0.00 C ATOM 997 CD GLU A 68 -5.978 -1.093 -9.711 1.00 0.00 C ATOM 998 OE1 GLU A 68 -6.368 -2.272 -9.837 1.00 0.00 O ATOM 999 OE2 GLU A 68 -6.674 -0.104 -10.022 1.00 0.00 O ATOM 0 H GLU A 68 -3.724 0.169 -6.351 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.100 -1.472 -6.916 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.191 -1.707 -7.780 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.474 -2.795 -8.271 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.510 0.189 -8.828 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.853 -0.994 -9.942 1.00 0.00 H new ATOM 1006 N LEU A 69 -3.451 -2.494 -5.205 1.00 0.00 N ATOM 1007 CA LEU A 69 -3.014 -3.430 -4.175 1.00 0.00 C ATOM 1008 C LEU A 69 -3.835 -3.259 -2.901 1.00 0.00 C ATOM 1009 O LEU A 69 -3.792 -4.103 -2.006 1.00 0.00 O ATOM 1010 CB LEU A 69 -1.529 -3.225 -3.870 1.00 0.00 C ATOM 1011 CG LEU A 69 -0.549 -3.778 -4.905 1.00 0.00 C ATOM 1012 CD1 LEU A 69 0.838 -3.930 -4.298 1.00 0.00 C ATOM 1013 CD2 LEU A 69 -1.044 -5.109 -5.451 1.00 0.00 C ATOM 0 H LEU A 69 -2.714 -1.886 -5.562 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.166 -4.442 -4.550 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.345 -2.156 -3.760 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.309 -3.687 -2.908 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.486 -3.071 -5.732 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.522 -4.325 -5.049 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.195 -2.958 -3.957 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.792 -4.616 -3.452 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.334 -5.487 -6.186 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.137 -5.825 -4.635 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.016 -4.969 -5.924 1.00 0.00 H new ATOM 1025 N ASN A 70 -4.583 -2.164 -2.827 1.00 0.00 N ATOM 1026 CA ASN A 70 -5.416 -1.884 -1.663 1.00 0.00 C ATOM 1027 C ASN A 70 -6.605 -2.837 -1.603 1.00 0.00 C ATOM 1028 O ASN A 70 -7.469 -2.826 -2.480 1.00 0.00 O ATOM 1029 CB ASN A 70 -5.910 -0.436 -1.700 1.00 0.00 C ATOM 1030 CG ASN A 70 -7.260 -0.269 -1.029 1.00 0.00 C ATOM 1031 OD1 ASN A 70 -8.268 -0.019 -1.690 1.00 0.00 O ATOM 1032 ND2 ASN A 70 -7.285 -0.406 0.292 1.00 0.00 N ATOM 0 H ASN A 70 -4.630 -1.455 -3.559 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.810 -2.032 -0.769 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.180 0.207 -1.207 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -5.979 -0.105 -2.736 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.164 -0.304 0.799 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.425 -0.613 0.800 1.00 0.00 H new ATOM 1039 N GLY A 71 -6.644 -3.662 -0.561 1.00 0.00 N ATOM 1040 CA GLY A 71 -7.731 -4.611 -0.405 1.00 0.00 C ATOM 1041 C GLY A 71 -7.738 -5.669 -1.490 1.00 0.00 C ATOM 1042 O GLY A 71 -8.722 -6.389 -1.660 1.00 0.00 O ATOM 0 H GLY A 71 -5.942 -3.690 0.178 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.650 -5.094 0.569 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.681 -4.076 -0.417 1.00 0.00 H new ATOM 1046 N THR A 72 -6.637 -5.762 -2.230 1.00 0.00 N ATOM 1047 CA THR A 72 -6.521 -6.738 -3.307 1.00 0.00 C ATOM 1048 C THR A 72 -6.216 -8.127 -2.760 1.00 0.00 C ATOM 1049 O THR A 72 -5.632 -8.266 -1.685 1.00 0.00 O ATOM 1050 CB THR A 72 -5.421 -6.340 -4.309 1.00 0.00 C ATOM 1051 OG1 THR A 72 -5.698 -6.909 -5.593 1.00 0.00 O ATOM 1052 CG2 THR A 72 -4.055 -6.806 -3.826 1.00 0.00 C ATOM 0 H THR A 72 -5.814 -5.174 -2.103 1.00 0.00 H new ATOM 0 HA THR A 72 -7.482 -6.757 -3.822 1.00 0.00 H new ATOM 0 HB THR A 72 -5.410 -5.253 -4.389 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.995 -6.650 -6.224 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.294 -6.514 -4.550 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.834 -6.348 -2.862 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.057 -7.891 -3.720 1.00 0.00 H new ATOM 1060 N GLN A 73 -6.614 -9.153 -3.506 1.00 0.00 N ATOM 1061 CA GLN A 73 -6.382 -10.532 -3.094 1.00 0.00 C ATOM 1062 C GLN A 73 -5.427 -11.233 -4.054 1.00 0.00 C ATOM 1063 O GLN A 73 -5.842 -11.758 -5.087 1.00 0.00 O ATOM 1064 CB GLN A 73 -7.706 -11.295 -3.025 1.00 0.00 C ATOM 1065 CG GLN A 73 -7.572 -12.694 -2.445 1.00 0.00 C ATOM 1066 CD GLN A 73 -8.911 -13.303 -2.076 1.00 0.00 C ATOM 1067 OE1 GLN A 73 -9.667 -12.736 -1.287 1.00 0.00 O ATOM 1068 NE2 GLN A 73 -9.211 -14.464 -2.646 1.00 0.00 N ATOM 0 H GLN A 73 -7.098 -9.055 -4.398 1.00 0.00 H new ATOM 0 HA GLN A 73 -5.927 -10.518 -2.104 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.413 -10.726 -2.421 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.128 -11.365 -4.027 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.072 -13.337 -3.169 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.937 -12.657 -1.560 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.554 -14.899 -3.294 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -10.098 -14.921 -2.436 1.00 0.00 H new ATOM 1077 N VAL A 74 -4.144 -11.238 -3.705 1.00 0.00 N ATOM 1078 CA VAL A 74 -3.129 -11.876 -4.536 1.00 0.00 C ATOM 1079 C VAL A 74 -2.571 -13.124 -3.860 1.00 0.00 C ATOM 1080 O VAL A 74 -2.376 -13.149 -2.646 1.00 0.00 O ATOM 1081 CB VAL A 74 -1.969 -10.911 -4.845 1.00 0.00 C ATOM 1082 CG1 VAL A 74 -2.503 -9.546 -5.251 1.00 0.00 C ATOM 1083 CG2 VAL A 74 -1.041 -10.793 -3.645 1.00 0.00 C ATOM 0 H VAL A 74 -3.783 -10.808 -2.853 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.615 -12.158 -5.470 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.397 -11.314 -5.681 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.669 -8.878 -5.465 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.124 -9.648 -6.141 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.100 -9.132 -4.438 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.227 -10.107 -3.881 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.599 -10.413 -2.789 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.631 -11.774 -3.404 1.00 0.00 H new ATOM 1093 N GLU A 75 -2.316 -14.157 -4.657 1.00 0.00 N ATOM 1094 CA GLU A 75 -1.780 -15.409 -4.135 1.00 0.00 C ATOM 1095 C GLU A 75 -2.660 -15.951 -3.011 1.00 0.00 C ATOM 1096 O GLU A 75 -2.165 -16.543 -2.052 1.00 0.00 O ATOM 1097 CB GLU A 75 -0.352 -15.206 -3.626 1.00 0.00 C ATOM 1098 CG GLU A 75 0.571 -14.558 -4.645 1.00 0.00 C ATOM 1099 CD GLU A 75 1.075 -15.541 -5.684 1.00 0.00 C ATOM 1100 OE1 GLU A 75 0.252 -16.312 -6.221 1.00 0.00 O ATOM 1101 OE2 GLU A 75 2.293 -15.539 -5.960 1.00 0.00 O ATOM 0 H GLU A 75 -2.472 -14.152 -5.665 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.768 -16.136 -4.947 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.380 -14.588 -2.729 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.062 -16.172 -3.336 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.042 -13.747 -5.145 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.422 -14.113 -4.128 1.00 0.00 H new ATOM 1108 N SER A 76 -3.966 -15.742 -3.137 1.00 0.00 N ATOM 1109 CA SER A 76 -4.915 -16.205 -2.131 1.00 0.00 C ATOM 1110 C SER A 76 -4.654 -15.530 -0.788 1.00 0.00 C ATOM 1111 O SER A 76 -4.930 -16.098 0.269 1.00 0.00 O ATOM 1112 CB SER A 76 -4.827 -17.724 -1.977 1.00 0.00 C ATOM 1113 OG SER A 76 -5.663 -18.381 -2.915 1.00 0.00 O ATOM 0 H SER A 76 -4.392 -15.255 -3.926 1.00 0.00 H new ATOM 0 HA SER A 76 -5.918 -15.939 -2.463 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.795 -18.048 -2.115 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.117 -18.008 -0.965 1.00 0.00 H new ATOM 0 HG SER A 76 -5.588 -19.351 -2.797 1.00 0.00 H new ATOM 1119 N VAL A 77 -4.119 -14.315 -0.837 1.00 0.00 N ATOM 1120 CA VAL A 77 -3.821 -13.561 0.375 1.00 0.00 C ATOM 1121 C VAL A 77 -4.212 -12.095 0.221 1.00 0.00 C ATOM 1122 O VAL A 77 -3.675 -11.386 -0.630 1.00 0.00 O ATOM 1123 CB VAL A 77 -2.326 -13.646 0.735 1.00 0.00 C ATOM 1124 CG1 VAL A 77 -1.997 -12.697 1.877 1.00 0.00 C ATOM 1125 CG2 VAL A 77 -1.945 -15.075 1.093 1.00 0.00 C ATOM 0 H VAL A 77 -3.883 -13.831 -1.703 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.407 -14.008 1.178 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.743 -13.345 -0.135 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.936 -12.771 2.117 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.231 -11.675 1.580 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.587 -12.964 2.754 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.885 -15.117 1.345 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.534 -15.405 1.948 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.142 -15.728 0.243 1.00 0.00 H new ATOM 1135 N GLN A 78 -5.151 -11.649 1.049 1.00 0.00 N ATOM 1136 CA GLN A 78 -5.614 -10.267 1.004 1.00 0.00 C ATOM 1137 C GLN A 78 -4.525 -9.312 1.481 1.00 0.00 C ATOM 1138 O GLN A 78 -4.222 -9.244 2.673 1.00 0.00 O ATOM 1139 CB GLN A 78 -6.868 -10.100 1.864 1.00 0.00 C ATOM 1140 CG GLN A 78 -8.162 -10.350 1.107 1.00 0.00 C ATOM 1141 CD GLN A 78 -9.267 -10.882 1.999 1.00 0.00 C ATOM 1142 OE1 GLN A 78 -9.179 -10.811 3.225 1.00 0.00 O ATOM 1143 NE2 GLN A 78 -10.315 -11.419 1.386 1.00 0.00 N ATOM 0 H GLN A 78 -5.606 -12.224 1.758 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.856 -10.024 -0.031 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -6.813 -10.786 2.709 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -6.886 -9.090 2.274 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -8.492 -9.421 0.642 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -7.976 -11.061 0.302 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -10.346 -11.457 0.367 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -11.089 -11.794 1.934 1.00 0.00 H new ATOM 1152 N LEU A 79 -3.939 -8.576 0.544 1.00 0.00 N ATOM 1153 CA LEU A 79 -2.882 -7.624 0.868 1.00 0.00 C ATOM 1154 C LEU A 79 -3.454 -6.226 1.079 1.00 0.00 C ATOM 1155 O LEU A 79 -4.218 -5.725 0.254 1.00 0.00 O ATOM 1156 CB LEU A 79 -1.834 -7.595 -0.246 1.00 0.00 C ATOM 1157 CG LEU A 79 -0.870 -8.781 -0.291 1.00 0.00 C ATOM 1158 CD1 LEU A 79 0.343 -8.451 -1.147 1.00 0.00 C ATOM 1159 CD2 LEU A 79 -0.440 -9.172 1.116 1.00 0.00 C ATOM 0 H LEU A 79 -4.178 -8.620 -0.447 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.409 -7.947 1.795 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.352 -7.537 -1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.249 -6.681 -0.144 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.388 -9.628 -0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.018 -9.307 -1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.020 -8.220 -2.162 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.862 -7.590 -0.726 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.246 -10.018 1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.059 -8.328 1.592 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.317 -9.451 1.700 1.00 0.00 H new ATOM 1171 N LYS A 80 -3.079 -5.599 2.189 1.00 0.00 N ATOM 1172 CA LYS A 80 -3.551 -4.257 2.508 1.00 0.00 C ATOM 1173 C LYS A 80 -2.417 -3.242 2.404 1.00 0.00 C ATOM 1174 O LYS A 80 -1.515 -3.216 3.241 1.00 0.00 O ATOM 1175 CB LYS A 80 -4.149 -4.226 3.917 1.00 0.00 C ATOM 1176 CG LYS A 80 -5.505 -4.903 4.016 1.00 0.00 C ATOM 1177 CD LYS A 80 -5.370 -6.414 4.100 1.00 0.00 C ATOM 1178 CE LYS A 80 -6.518 -7.034 4.881 1.00 0.00 C ATOM 1179 NZ LYS A 80 -7.677 -7.356 4.003 1.00 0.00 N ATOM 0 H LYS A 80 -2.449 -6.000 2.884 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.322 -3.989 1.786 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.458 -4.711 4.607 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.245 -3.189 4.239 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.033 -4.535 4.896 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -6.109 -4.639 3.148 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.344 -6.834 3.095 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.424 -6.670 4.577 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.173 -7.943 5.374 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -6.836 -6.347 5.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -8.514 -6.831 4.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -7.456 -7.086 3.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -7.871 -8.377 4.045 1.00 0.00 H new ATOM 1193 N VAL A 81 -2.470 -2.407 1.371 1.00 0.00 N ATOM 1194 CA VAL A 81 -1.449 -1.388 1.159 1.00 0.00 C ATOM 1195 C VAL A 81 -1.999 0.007 1.433 1.00 0.00 C ATOM 1196 O VAL A 81 -3.101 0.346 1.004 1.00 0.00 O ATOM 1197 CB VAL A 81 -0.898 -1.437 -0.279 1.00 0.00 C ATOM 1198 CG1 VAL A 81 0.413 -0.671 -0.375 1.00 0.00 C ATOM 1199 CG2 VAL A 81 -0.717 -2.878 -0.731 1.00 0.00 C ATOM 0 H VAL A 81 -3.209 -2.416 0.668 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.640 -1.600 1.858 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.619 -0.960 -0.942 1.00 0.00 H new ATOM 0 HG11 VAL A 81 0.787 -0.717 -1.398 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.248 0.369 -0.095 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.145 -1.116 0.299 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.327 -2.894 -1.749 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.016 -3.383 -0.066 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.678 -3.392 -0.703 1.00 0.00 H new ATOM 1209 N ASN A 82 -1.223 0.812 2.151 1.00 0.00 N ATOM 1210 CA ASN A 82 -1.633 2.172 2.484 1.00 0.00 C ATOM 1211 C ASN A 82 -0.465 3.143 2.337 1.00 0.00 C ATOM 1212 O ASN A 82 0.698 2.749 2.428 1.00 0.00 O ATOM 1213 CB ASN A 82 -2.180 2.227 3.911 1.00 0.00 C ATOM 1214 CG ASN A 82 -3.039 1.023 4.248 1.00 0.00 C ATOM 1215 OD1 ASN A 82 -2.539 0.003 4.722 1.00 0.00 O ATOM 1216 ND2 ASN A 82 -4.339 1.137 4.004 1.00 0.00 N ATOM 0 H ASN A 82 -0.307 0.547 2.513 1.00 0.00 H new ATOM 0 HA ASN A 82 -2.419 2.469 1.789 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -1.349 2.285 4.614 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -2.768 3.136 4.037 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -4.967 0.360 4.210 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -4.710 2.002 3.610 1.00 0.00 H new ATOM 1223 N ILE A 83 -0.784 4.413 2.109 1.00 0.00 N ATOM 1224 CA ILE A 83 0.238 5.440 1.952 1.00 0.00 C ATOM 1225 C ILE A 83 0.945 5.719 3.273 1.00 0.00 C ATOM 1226 O ILE A 83 0.464 6.498 4.095 1.00 0.00 O ATOM 1227 CB ILE A 83 -0.362 6.753 1.416 1.00 0.00 C ATOM 1228 CG1 ILE A 83 -1.262 6.474 0.211 1.00 0.00 C ATOM 1229 CG2 ILE A 83 0.745 7.728 1.043 1.00 0.00 C ATOM 1230 CD1 ILE A 83 -0.501 6.051 -1.026 1.00 0.00 C ATOM 0 H ILE A 83 -1.742 4.755 2.029 1.00 0.00 H new ATOM 0 HA ILE A 83 0.960 5.059 1.230 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.968 7.205 2.201 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.975 5.693 0.474 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.840 7.370 -0.016 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.305 8.651 0.666 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.349 7.947 1.924 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.375 7.285 0.272 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.202 5.870 -1.840 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.193 6.840 -1.314 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.055 5.137 -0.816 1.00 0.00 H new ATOM 1242 N ALA A 84 2.093 5.077 3.471 1.00 0.00 N ATOM 1243 CA ALA A 84 2.869 5.259 4.691 1.00 0.00 C ATOM 1244 C ALA A 84 2.871 6.720 5.128 1.00 0.00 C ATOM 1245 O ALA A 84 3.321 7.598 4.391 1.00 0.00 O ATOM 1246 CB ALA A 84 4.294 4.765 4.489 1.00 0.00 C ATOM 0 H ALA A 84 2.505 4.427 2.802 1.00 0.00 H new ATOM 0 HA ALA A 84 2.401 4.671 5.481 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.862 4.907 5.408 1.00 0.00 H new ATOM 0 HB2 ALA A 84 4.279 3.706 4.232 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.763 5.328 3.682 1.00 0.00 H new ATOM 1252 N ARG A 85 2.365 6.974 6.330 1.00 0.00 N ATOM 1253 CA ARG A 85 2.307 8.330 6.864 1.00 0.00 C ATOM 1254 C ARG A 85 3.584 8.668 7.628 1.00 0.00 C ATOM 1255 O ARG A 85 3.553 9.405 8.614 1.00 0.00 O ATOM 1256 CB ARG A 85 1.093 8.487 7.782 1.00 0.00 C ATOM 1257 CG ARG A 85 -0.194 8.807 7.040 1.00 0.00 C ATOM 1258 CD ARG A 85 -1.353 9.021 8.002 1.00 0.00 C ATOM 1259 NE ARG A 85 -1.418 10.398 8.483 1.00 0.00 N ATOM 1260 CZ ARG A 85 -2.357 10.843 9.311 1.00 0.00 C ATOM 1261 NH1 ARG A 85 -3.303 10.024 9.748 1.00 0.00 N ATOM 1262 NH2 ARG A 85 -2.349 12.111 9.704 1.00 0.00 N ATOM 0 H ARG A 85 1.989 6.259 6.953 1.00 0.00 H new ATOM 0 HA ARG A 85 2.212 9.021 6.026 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.956 7.567 8.350 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.293 9.279 8.503 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -0.053 9.702 6.434 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -0.433 7.993 6.356 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -2.289 8.766 7.504 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -1.249 8.345 8.851 1.00 0.00 H new ATOM 0 HE ARG A 85 -0.704 11.054 8.166 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -3.312 9.049 9.449 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -4.022 10.369 10.384 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -1.622 12.744 9.370 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -3.070 12.452 10.340 1.00 0.00 H new ATOM 1276 N LYS A 86 4.705 8.125 7.166 1.00 0.00 N ATOM 1277 CA LYS A 86 5.993 8.370 7.803 1.00 0.00 C ATOM 1278 C LYS A 86 6.974 9.006 6.823 1.00 0.00 C ATOM 1279 O LYS A 86 8.170 8.718 6.855 1.00 0.00 O ATOM 1280 CB LYS A 86 6.573 7.061 8.345 1.00 0.00 C ATOM 1281 CG LYS A 86 7.515 7.254 9.521 1.00 0.00 C ATOM 1282 CD LYS A 86 7.810 5.938 10.221 1.00 0.00 C ATOM 1283 CE LYS A 86 8.715 5.051 9.381 1.00 0.00 C ATOM 1284 NZ LYS A 86 9.441 4.052 10.214 1.00 0.00 N ATOM 0 H LYS A 86 4.747 7.512 6.352 1.00 0.00 H new ATOM 0 HA LYS A 86 5.835 9.062 8.631 1.00 0.00 H new ATOM 0 HB2 LYS A 86 5.754 6.409 8.649 1.00 0.00 H new ATOM 0 HB3 LYS A 86 7.106 6.550 7.543 1.00 0.00 H new ATOM 0 HG2 LYS A 86 8.447 7.699 9.172 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.074 7.954 10.231 1.00 0.00 H new ATOM 0 HD2 LYS A 86 8.283 6.134 11.183 1.00 0.00 H new ATOM 0 HD3 LYS A 86 6.875 5.416 10.426 1.00 0.00 H new ATOM 0 HE2 LYS A 86 8.120 4.533 8.629 1.00 0.00 H new ATOM 0 HE3 LYS A 86 9.435 5.670 8.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 10.047 3.467 9.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 10.029 4.546 10.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 8.754 3.445 10.705 1.00 0.00 H new ATOM 1298 N GLN A 87 6.459 9.871 5.956 1.00 0.00 N ATOM 1299 CA GLN A 87 7.290 10.548 4.968 1.00 0.00 C ATOM 1300 C GLN A 87 7.131 12.061 5.066 1.00 0.00 C ATOM 1301 O GLN A 87 6.353 12.676 4.337 1.00 0.00 O ATOM 1302 CB GLN A 87 6.930 10.075 3.558 1.00 0.00 C ATOM 1303 CG GLN A 87 5.467 9.694 3.399 1.00 0.00 C ATOM 1304 CD GLN A 87 5.199 8.932 2.117 1.00 0.00 C ATOM 1305 OE1 GLN A 87 6.056 8.852 1.237 1.00 0.00 O ATOM 1306 NE2 GLN A 87 4.003 8.364 2.004 1.00 0.00 N ATOM 0 H GLN A 87 5.471 10.120 5.918 1.00 0.00 H new ATOM 0 HA GLN A 87 8.331 10.297 5.173 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.171 10.865 2.846 1.00 0.00 H new ATOM 0 HB3 GLN A 87 7.550 9.216 3.302 1.00 0.00 H new ATOM 0 HG2 GLN A 87 5.159 9.086 4.250 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.856 10.597 3.415 1.00 0.00 H new ATOM 0 HE21 GLN A 87 3.322 8.455 2.758 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.766 7.837 1.164 1.00 0.00 H new ATOM 1315 N PRO A 88 7.884 12.677 5.990 1.00 0.00 N ATOM 1316 CA PRO A 88 7.843 14.127 6.205 1.00 0.00 C ATOM 1317 C PRO A 88 8.457 14.903 5.045 1.00 0.00 C ATOM 1318 O PRO A 88 8.838 14.321 4.030 1.00 0.00 O ATOM 1319 CB PRO A 88 8.674 14.319 7.476 1.00 0.00 C ATOM 1320 CG PRO A 88 9.594 13.148 7.509 1.00 0.00 C ATOM 1321 CD PRO A 88 8.833 12.006 6.894 1.00 0.00 C ATOM 0 HA PRO A 88 6.822 14.499 6.286 1.00 0.00 H new ATOM 0 HB2 PRO A 88 9.228 15.257 7.448 1.00 0.00 H new ATOM 0 HB3 PRO A 88 8.040 14.349 8.362 1.00 0.00 H new ATOM 0 HG2 PRO A 88 10.508 13.354 6.951 1.00 0.00 H new ATOM 0 HG3 PRO A 88 9.891 12.914 8.531 1.00 0.00 H new ATOM 0 HD2 PRO A 88 9.493 11.328 6.353 1.00 0.00 H new ATOM 0 HD3 PRO A 88 8.318 11.413 7.650 1.00 0.00 H new ATOM 1329 N MET A 89 8.551 16.219 5.203 1.00 0.00 N ATOM 1330 CA MET A 89 9.121 17.074 4.169 1.00 0.00 C ATOM 1331 C MET A 89 10.639 16.940 4.128 1.00 0.00 C ATOM 1332 O MET A 89 11.332 17.326 5.071 1.00 0.00 O ATOM 1333 CB MET A 89 8.732 18.534 4.412 1.00 0.00 C ATOM 1334 CG MET A 89 9.309 19.495 3.386 1.00 0.00 C ATOM 1335 SD MET A 89 9.306 21.205 3.958 1.00 0.00 S ATOM 1336 CE MET A 89 7.552 21.483 4.189 1.00 0.00 C ATOM 0 H MET A 89 8.240 16.716 6.037 1.00 0.00 H new ATOM 0 HA MET A 89 8.720 16.754 3.207 1.00 0.00 H new ATOM 0 HB2 MET A 89 7.645 18.618 4.405 1.00 0.00 H new ATOM 0 HB3 MET A 89 9.069 18.831 5.405 1.00 0.00 H new ATOM 0 HG2 MET A 89 10.330 19.197 3.149 1.00 0.00 H new ATOM 0 HG3 MET A 89 8.734 19.424 2.463 1.00 0.00 H new ATOM 0 HE1 MET A 89 7.378 22.534 4.421 1.00 0.00 H new ATOM 0 HE2 MET A 89 7.019 21.220 3.276 1.00 0.00 H new ATOM 0 HE3 MET A 89 7.191 20.865 5.011 1.00 0.00 H new ATOM 1346 N LEU A 90 11.151 16.391 3.032 1.00 0.00 N ATOM 1347 CA LEU A 90 12.589 16.206 2.869 1.00 0.00 C ATOM 1348 C LEU A 90 13.127 17.085 1.744 1.00 0.00 C ATOM 1349 O LEU A 90 13.389 16.607 0.641 1.00 0.00 O ATOM 1350 CB LEU A 90 12.905 14.738 2.580 1.00 0.00 C ATOM 1351 CG LEU A 90 13.162 13.853 3.800 1.00 0.00 C ATOM 1352 CD1 LEU A 90 13.296 12.396 3.385 1.00 0.00 C ATOM 1353 CD2 LEU A 90 14.409 14.315 4.540 1.00 0.00 C ATOM 0 H LEU A 90 10.592 16.066 2.243 1.00 0.00 H new ATOM 0 HA LEU A 90 13.076 16.499 3.799 1.00 0.00 H new ATOM 0 HB2 LEU A 90 12.075 14.313 2.016 1.00 0.00 H new ATOM 0 HB3 LEU A 90 13.783 14.696 1.935 1.00 0.00 H new ATOM 0 HG LEU A 90 12.310 13.940 4.474 1.00 0.00 H new ATOM 0 HD11 LEU A 90 13.479 11.782 4.267 1.00 0.00 H new ATOM 0 HD12 LEU A 90 12.376 12.070 2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 90 14.130 12.291 2.691 1.00 0.00 H new ATOM 0 HD21 LEU A 90 14.577 13.674 5.405 1.00 0.00 H new ATOM 0 HD22 LEU A 90 15.270 14.258 3.874 1.00 0.00 H new ATOM 0 HD23 LEU A 90 14.275 15.345 4.872 1.00 0.00 H new ATOM 1365 N ASP A 91 13.292 18.371 2.033 1.00 0.00 N ATOM 1366 CA ASP A 91 13.802 19.317 1.047 1.00 0.00 C ATOM 1367 C ASP A 91 15.291 19.093 0.800 1.00 0.00 C ATOM 1368 O ASP A 91 16.094 19.101 1.733 1.00 0.00 O ATOM 1369 CB ASP A 91 13.560 20.753 1.514 1.00 0.00 C ATOM 1370 CG ASP A 91 14.678 21.271 2.398 1.00 0.00 C ATOM 1371 OD1 ASP A 91 14.796 20.792 3.545 1.00 0.00 O ATOM 1372 OD2 ASP A 91 15.433 22.155 1.943 1.00 0.00 O ATOM 0 H ASP A 91 13.080 18.782 2.942 1.00 0.00 H new ATOM 0 HA ASP A 91 13.268 19.153 0.111 1.00 0.00 H new ATOM 0 HB2 ASP A 91 13.458 21.402 0.644 1.00 0.00 H new ATOM 0 HB3 ASP A 91 12.618 20.801 2.060 1.00 0.00 H new ATOM 1377 N SER A 92 15.652 18.893 -0.464 1.00 0.00 N ATOM 1378 CA SER A 92 17.043 18.662 -0.834 1.00 0.00 C ATOM 1379 C SER A 92 17.823 19.973 -0.861 1.00 0.00 C ATOM 1380 O SER A 92 17.245 21.054 -0.761 1.00 0.00 O ATOM 1381 CB SER A 92 17.123 17.979 -2.200 1.00 0.00 C ATOM 1382 OG SER A 92 18.375 17.339 -2.378 1.00 0.00 O ATOM 0 H SER A 92 15.000 18.886 -1.249 1.00 0.00 H new ATOM 0 HA SER A 92 17.489 18.010 -0.083 1.00 0.00 H new ATOM 0 HB2 SER A 92 16.321 17.247 -2.292 1.00 0.00 H new ATOM 0 HB3 SER A 92 16.973 18.717 -2.988 1.00 0.00 H new ATOM 0 HG SER A 92 18.400 16.909 -3.258 1.00 0.00 H new ATOM 1388 N GLY A 93 19.142 19.868 -0.998 1.00 0.00 N ATOM 1389 CA GLY A 93 19.980 21.051 -1.036 1.00 0.00 C ATOM 1390 C GLY A 93 20.270 21.511 -2.451 1.00 0.00 C ATOM 1391 O GLY A 93 19.838 20.897 -3.427 1.00 0.00 O ATOM 0 H GLY A 93 19.644 18.984 -1.083 1.00 0.00 H new ATOM 0 HA2 GLY A 93 19.491 21.857 -0.488 1.00 0.00 H new ATOM 0 HA3 GLY A 93 20.920 20.843 -0.525 1.00 0.00 H new ATOM 1395 N PRO A 94 21.018 22.618 -2.576 1.00 0.00 N ATOM 1396 CA PRO A 94 21.381 23.185 -3.878 1.00 0.00 C ATOM 1397 C PRO A 94 22.374 22.310 -4.635 1.00 0.00 C ATOM 1398 O PRO A 94 22.176 22.002 -5.810 1.00 0.00 O ATOM 1399 CB PRO A 94 22.019 24.528 -3.515 1.00 0.00 C ATOM 1400 CG PRO A 94 22.528 24.342 -2.127 1.00 0.00 C ATOM 1401 CD PRO A 94 21.566 23.401 -1.456 1.00 0.00 C ATOM 0 HA PRO A 94 20.519 23.272 -4.539 1.00 0.00 H new ATOM 0 HB2 PRO A 94 22.826 24.782 -4.202 1.00 0.00 H new ATOM 0 HB3 PRO A 94 21.292 25.338 -3.565 1.00 0.00 H new ATOM 0 HG2 PRO A 94 23.537 23.930 -2.133 1.00 0.00 H new ATOM 0 HG3 PRO A 94 22.576 25.294 -1.598 1.00 0.00 H new ATOM 0 HD2 PRO A 94 22.069 22.764 -0.728 1.00 0.00 H new ATOM 0 HD3 PRO A 94 20.784 23.940 -0.921 1.00 0.00 H new ATOM 1409 N SER A 95 23.444 21.912 -3.953 1.00 0.00 N ATOM 1410 CA SER A 95 24.471 21.075 -4.563 1.00 0.00 C ATOM 1411 C SER A 95 23.857 19.818 -5.170 1.00 0.00 C ATOM 1412 O SER A 95 22.650 19.594 -5.074 1.00 0.00 O ATOM 1413 CB SER A 95 25.527 20.691 -3.525 1.00 0.00 C ATOM 1414 OG SER A 95 24.961 19.913 -2.484 1.00 0.00 O ATOM 0 H SER A 95 23.622 22.156 -2.979 1.00 0.00 H new ATOM 0 HA SER A 95 24.946 21.647 -5.360 1.00 0.00 H new ATOM 0 HB2 SER A 95 26.328 20.131 -4.007 1.00 0.00 H new ATOM 0 HB3 SER A 95 25.975 21.592 -3.107 1.00 0.00 H new ATOM 0 HG SER A 95 25.657 19.679 -1.835 1.00 0.00 H new ATOM 1420 N SER A 96 24.697 18.999 -5.795 1.00 0.00 N ATOM 1421 CA SER A 96 24.237 17.765 -6.422 1.00 0.00 C ATOM 1422 C SER A 96 25.382 16.766 -6.558 1.00 0.00 C ATOM 1423 O SER A 96 26.544 17.102 -6.332 1.00 0.00 O ATOM 1424 CB SER A 96 23.637 18.060 -7.798 1.00 0.00 C ATOM 1425 OG SER A 96 22.260 18.381 -7.696 1.00 0.00 O ATOM 0 H SER A 96 25.699 19.167 -5.881 1.00 0.00 H new ATOM 0 HA SER A 96 23.469 17.327 -5.785 1.00 0.00 H new ATOM 0 HB2 SER A 96 24.173 18.888 -8.262 1.00 0.00 H new ATOM 0 HB3 SER A 96 23.765 17.194 -8.447 1.00 0.00 H new ATOM 0 HG SER A 96 22.080 18.774 -6.817 1.00 0.00 H new ATOM 1431 N GLY A 97 25.044 15.535 -6.929 1.00 0.00 N ATOM 1432 CA GLY A 97 26.053 14.505 -7.089 1.00 0.00 C ATOM 1433 C GLY A 97 26.975 14.405 -5.890 1.00 0.00 C ATOM 1434 O GLY A 97 28.174 14.662 -5.997 1.00 0.00 O ATOM 0 H GLY A 97 24.089 15.233 -7.122 1.00 0.00 H new ATOM 0 HA2 GLY A 97 25.564 13.544 -7.249 1.00 0.00 H new ATOM 0 HA3 GLY A 97 26.643 14.715 -7.981 1.00 0.00 H new TER 1438 GLY A 97