USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 527 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 13 LYS NZ :NH3+ 178:sc= 1.34! (180deg=0.717) USER MOD Set 1.2: A 15 ASN : amide:sc= -1.3! C(o=0.83!,f=-20!) USER MOD Set 1.3: A 21 THR OG1 : rot -103:sc= 0.786 USER MOD Set 2.1: A 6 THR OG1 : rot -80:sc= 2.2 USER MOD Set 2.2: A 8 LYS NZ :NH3+ -178:sc= 1.09! (180deg=0.754) USER MOD Single : A 1 THR N :NH3+ -125:sc= 0.546 (180deg=0.0131) USER MOD Single : A 1 THR OG1 : rot 59:sc= 1.46 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 160:sc= -1.43! USER MOD Single : A 23 LYS NZ :NH3+ -179:sc= 1.09 (180deg=1.04) USER MOD Single : A 27 LYS NZ :NH3+ 154:sc= 0.734 (180deg=-0.251!) USER MOD Single : A 31 THR OG1 : rot -130:sc= -2.23 USER MOD Single : A 32 ASN : amide:sc= -0.0591 X(o=-0.059,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.326 K(o=-0.33,f=-1.2) USER MOD Single : A 37 GLN : amide:sc= -0.555 X(o=-0.55,f=-0.52) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -97:sc= 0.949 USER MOD Single : A 44 GLN : amide:sc= 0.00786 X(o=0.0079,f=0) USER MOD Single : A 46 THR OG1 : rot -96:sc= 1.19 USER MOD Single : A 48 MET CE :methyl -170:sc= 0 (180deg=-0.198) USER MOD Single : A 49 THR OG1 : rot -68:sc= 0.463 USER MOD Single : A 51 THR OG1 : rot -176:sc= -1.16 USER MOD Single : A 53 LYS NZ :NH3+ 163:sc= 1.83 (180deg=1.6) USER MOD Single : A 54 THR OG1 : rot -56:sc= 0.915 USER MOD Single : A 55 ASN : amide:sc= -0.22 X(o=-0.22,f=-0.46) USER MOD Single : A 58 HIS : no HD1:sc= -0.119 X(o=-0.12,f=-0.0068) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 64 SER OG : rot -57:sc= 0.587 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 46.810 89.792 -20.791 1.00 0.00 N ATOM 2 CA THR A 1 45.641 88.904 -21.095 1.00 0.00 C ATOM 3 C THR A 1 46.063 87.431 -20.994 1.00 0.00 C ATOM 4 O THR A 1 47.241 87.133 -20.907 1.00 0.00 O ATOM 5 CB THR A 1 45.136 89.184 -22.521 1.00 0.00 C ATOM 6 OG1 THR A 1 46.139 89.868 -23.258 1.00 0.00 O ATOM 7 CG2 THR A 1 43.874 90.045 -22.465 1.00 0.00 C ATOM 0 H1 THR A 1 46.558 90.447 -20.023 1.00 0.00 H new ATOM 0 H2 THR A 1 47.621 89.210 -20.498 1.00 0.00 H new ATOM 0 H3 THR A 1 47.063 90.336 -21.641 1.00 0.00 H new ATOM 0 HA THR A 1 44.847 89.106 -20.376 1.00 0.00 H new ATOM 0 HB THR A 1 44.907 88.237 -23.009 1.00 0.00 H new ATOM 0 HG1 THR A 1 46.951 89.320 -23.291 1.00 0.00 H new ATOM 0 HG21 THR A 1 43.521 90.240 -23.478 1.00 0.00 H new ATOM 0 HG22 THR A 1 43.100 89.520 -21.906 1.00 0.00 H new ATOM 0 HG23 THR A 1 44.100 90.990 -21.971 1.00 0.00 H new ATOM 17 N PRO A 2 45.087 86.549 -21.014 1.00 0.00 N ATOM 18 CA PRO A 2 45.331 85.095 -20.937 1.00 0.00 C ATOM 19 C PRO A 2 45.790 84.561 -22.307 1.00 0.00 C ATOM 20 O PRO A 2 45.176 83.674 -22.880 1.00 0.00 O ATOM 21 CB PRO A 2 43.964 84.525 -20.538 1.00 0.00 C ATOM 22 CG PRO A 2 42.910 85.576 -20.963 1.00 0.00 C ATOM 23 CD PRO A 2 43.654 86.915 -21.111 1.00 0.00 C ATOM 0 HA PRO A 2 46.115 84.819 -20.232 1.00 0.00 H new ATOM 0 HB2 PRO A 2 43.782 83.571 -21.033 1.00 0.00 H new ATOM 0 HB3 PRO A 2 43.918 84.342 -19.465 1.00 0.00 H new ATOM 0 HG2 PRO A 2 42.436 85.291 -21.902 1.00 0.00 H new ATOM 0 HG3 PRO A 2 42.119 85.654 -20.218 1.00 0.00 H new ATOM 0 HD2 PRO A 2 43.429 87.392 -22.065 1.00 0.00 H new ATOM 0 HD3 PRO A 2 43.369 87.618 -20.328 1.00 0.00 H new ATOM 31 N ASP A 3 46.861 85.103 -22.838 1.00 0.00 N ATOM 32 CA ASP A 3 47.357 84.640 -24.169 1.00 0.00 C ATOM 33 C ASP A 3 48.326 83.451 -23.983 1.00 0.00 C ATOM 34 O ASP A 3 48.147 82.645 -23.086 1.00 0.00 O ATOM 35 CB ASP A 3 48.055 85.801 -24.888 1.00 0.00 C ATOM 36 CG ASP A 3 47.240 87.090 -24.732 1.00 0.00 C ATOM 37 OD1 ASP A 3 46.305 87.278 -25.492 1.00 0.00 O ATOM 38 OD2 ASP A 3 47.563 87.872 -23.855 1.00 0.00 O ATOM 0 H ASP A 3 47.411 85.845 -22.406 1.00 0.00 H new ATOM 0 HA ASP A 3 46.516 84.307 -24.777 1.00 0.00 H new ATOM 0 HB2 ASP A 3 49.055 85.943 -24.478 1.00 0.00 H new ATOM 0 HB3 ASP A 3 48.175 85.564 -25.945 1.00 0.00 H new ATOM 43 N CYS A 4 49.341 83.311 -24.823 1.00 0.00 N ATOM 44 CA CYS A 4 50.276 82.149 -24.653 1.00 0.00 C ATOM 45 C CYS A 4 51.510 82.241 -25.570 1.00 0.00 C ATOM 46 O CYS A 4 52.550 82.705 -25.151 1.00 0.00 O ATOM 47 CB CYS A 4 49.526 80.853 -24.949 1.00 0.00 C ATOM 48 SG CYS A 4 50.675 79.457 -24.924 1.00 0.00 S ATOM 0 H CYS A 4 49.554 83.938 -25.599 1.00 0.00 H new ATOM 0 HA CYS A 4 50.633 82.166 -23.623 1.00 0.00 H new ATOM 0 HB2 CYS A 4 48.739 80.701 -24.210 1.00 0.00 H new ATOM 0 HB3 CYS A 4 49.040 80.918 -25.923 1.00 0.00 H new ATOM 53 N VAL A 5 51.426 81.753 -26.794 1.00 0.00 N ATOM 54 CA VAL A 5 52.631 81.759 -27.694 1.00 0.00 C ATOM 55 C VAL A 5 52.284 82.230 -29.120 1.00 0.00 C ATOM 56 O VAL A 5 51.257 82.835 -29.362 1.00 0.00 O ATOM 57 CB VAL A 5 53.182 80.323 -27.767 1.00 0.00 C ATOM 58 CG1 VAL A 5 53.526 79.817 -26.364 1.00 0.00 C ATOM 59 CG2 VAL A 5 52.129 79.400 -28.399 1.00 0.00 C ATOM 0 H VAL A 5 50.581 81.354 -27.204 1.00 0.00 H new ATOM 0 HA VAL A 5 53.365 82.452 -27.283 1.00 0.00 H new ATOM 0 HB VAL A 5 54.085 80.322 -28.377 1.00 0.00 H new ATOM 0 HG11 VAL A 5 53.915 78.801 -26.429 1.00 0.00 H new ATOM 0 HG12 VAL A 5 54.280 80.466 -25.918 1.00 0.00 H new ATOM 0 HG13 VAL A 5 52.629 79.824 -25.745 1.00 0.00 H new ATOM 0 HG21 VAL A 5 52.520 78.384 -28.450 1.00 0.00 H new ATOM 0 HG22 VAL A 5 51.224 79.411 -27.791 1.00 0.00 H new ATOM 0 HG23 VAL A 5 51.895 79.750 -29.404 1.00 0.00 H new ATOM 69 N THR A 6 53.155 81.942 -30.065 1.00 0.00 N ATOM 70 CA THR A 6 52.930 82.334 -31.484 1.00 0.00 C ATOM 71 C THR A 6 52.372 81.139 -32.262 1.00 0.00 C ATOM 72 O THR A 6 52.108 80.095 -31.692 1.00 0.00 O ATOM 73 CB THR A 6 54.256 82.793 -32.088 1.00 0.00 C ATOM 74 OG1 THR A 6 55.260 81.780 -31.968 1.00 0.00 O ATOM 75 CG2 THR A 6 54.704 84.059 -31.369 1.00 0.00 C ATOM 0 H THR A 6 54.028 81.441 -29.900 1.00 0.00 H new ATOM 0 HA THR A 6 52.210 83.151 -31.538 1.00 0.00 H new ATOM 0 HB THR A 6 54.114 82.991 -33.150 1.00 0.00 H new ATOM 0 HG1 THR A 6 55.633 81.795 -31.062 1.00 0.00 H new ATOM 0 HG21 THR A 6 55.650 84.400 -31.789 1.00 0.00 H new ATOM 0 HG22 THR A 6 53.950 84.836 -31.496 1.00 0.00 H new ATOM 0 HG23 THR A 6 54.833 83.848 -30.307 1.00 0.00 H new ATOM 83 N GLY A 7 52.161 81.282 -33.551 1.00 0.00 N ATOM 84 CA GLY A 7 51.585 80.148 -34.331 1.00 0.00 C ATOM 85 C GLY A 7 52.163 80.051 -35.748 1.00 0.00 C ATOM 86 O GLY A 7 51.457 80.226 -36.724 1.00 0.00 O ATOM 0 H GLY A 7 52.361 82.126 -34.088 1.00 0.00 H new ATOM 0 HA2 GLY A 7 51.774 79.215 -33.801 1.00 0.00 H new ATOM 0 HA3 GLY A 7 50.503 80.266 -34.392 1.00 0.00 H new ATOM 90 N LYS A 8 53.424 79.711 -35.860 1.00 0.00 N ATOM 91 CA LYS A 8 54.045 79.502 -37.202 1.00 0.00 C ATOM 92 C LYS A 8 53.464 78.175 -37.730 1.00 0.00 C ATOM 93 O LYS A 8 52.324 77.865 -37.443 1.00 0.00 O ATOM 94 CB LYS A 8 55.582 79.409 -37.080 1.00 0.00 C ATOM 95 CG LYS A 8 56.144 80.667 -36.419 1.00 0.00 C ATOM 96 CD LYS A 8 56.114 80.508 -34.906 1.00 0.00 C ATOM 97 CE LYS A 8 57.369 81.118 -34.288 1.00 0.00 C ATOM 98 NZ LYS A 8 57.303 80.934 -32.814 1.00 0.00 N ATOM 0 H LYS A 8 54.054 79.568 -35.071 1.00 0.00 H new ATOM 0 HA LYS A 8 53.830 80.331 -37.876 1.00 0.00 H new ATOM 0 HB2 LYS A 8 55.854 78.531 -36.494 1.00 0.00 H new ATOM 0 HB3 LYS A 8 56.024 79.282 -38.068 1.00 0.00 H new ATOM 0 HG2 LYS A 8 57.166 80.841 -36.756 1.00 0.00 H new ATOM 0 HG3 LYS A 8 55.558 81.537 -36.715 1.00 0.00 H new ATOM 0 HD2 LYS A 8 55.227 80.993 -34.499 1.00 0.00 H new ATOM 0 HD3 LYS A 8 56.048 79.452 -34.645 1.00 0.00 H new ATOM 0 HE2 LYS A 8 58.261 80.639 -34.690 1.00 0.00 H new ATOM 0 HE3 LYS A 8 57.437 82.177 -34.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 58.135 81.374 -32.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 56.439 81.381 -32.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 57.289 79.918 -32.591 1.00 0.00 H new ATOM 112 N VAL A 9 54.204 77.374 -38.467 1.00 0.00 N ATOM 113 CA VAL A 9 53.619 76.073 -38.956 1.00 0.00 C ATOM 114 C VAL A 9 54.706 75.060 -39.322 1.00 0.00 C ATOM 115 O VAL A 9 54.837 74.675 -40.468 1.00 0.00 O ATOM 116 CB VAL A 9 52.792 76.342 -40.198 1.00 0.00 C ATOM 117 CG1 VAL A 9 52.229 75.019 -40.720 1.00 0.00 C ATOM 118 CG2 VAL A 9 51.661 77.302 -39.852 1.00 0.00 C ATOM 0 H VAL A 9 55.167 77.556 -38.748 1.00 0.00 H new ATOM 0 HA VAL A 9 53.013 75.658 -38.151 1.00 0.00 H new ATOM 0 HB VAL A 9 53.412 76.794 -40.972 1.00 0.00 H new ATOM 0 HG11 VAL A 9 51.633 75.205 -41.613 1.00 0.00 H new ATOM 0 HG12 VAL A 9 53.050 74.346 -40.965 1.00 0.00 H new ATOM 0 HG13 VAL A 9 51.602 74.563 -39.954 1.00 0.00 H new ATOM 0 HG21 VAL A 9 51.064 77.498 -40.743 1.00 0.00 H new ATOM 0 HG22 VAL A 9 51.029 76.858 -39.083 1.00 0.00 H new ATOM 0 HG23 VAL A 9 52.079 78.238 -39.482 1.00 0.00 H new ATOM 128 N GLU A 10 55.469 74.574 -38.397 1.00 0.00 N ATOM 129 CA GLU A 10 56.501 73.596 -38.814 1.00 0.00 C ATOM 130 C GLU A 10 56.041 72.176 -38.504 1.00 0.00 C ATOM 131 O GLU A 10 56.720 71.464 -37.782 1.00 0.00 O ATOM 132 CB GLU A 10 57.829 73.918 -38.106 1.00 0.00 C ATOM 133 CG GLU A 10 58.742 74.756 -39.022 1.00 0.00 C ATOM 134 CD GLU A 10 57.918 75.720 -39.886 1.00 0.00 C ATOM 135 OE1 GLU A 10 57.397 76.683 -39.341 1.00 0.00 O ATOM 136 OE2 GLU A 10 57.827 75.476 -41.081 1.00 0.00 O ATOM 0 H GLU A 10 55.430 74.799 -37.403 1.00 0.00 H new ATOM 0 HA GLU A 10 56.655 73.667 -39.891 1.00 0.00 H new ATOM 0 HB2 GLU A 10 57.632 74.463 -37.183 1.00 0.00 H new ATOM 0 HB3 GLU A 10 58.334 72.992 -37.829 1.00 0.00 H new ATOM 0 HG2 GLU A 10 59.451 75.320 -38.417 1.00 0.00 H new ATOM 0 HG3 GLU A 10 59.325 74.095 -39.663 1.00 0.00 H new ATOM 143 N TYR A 11 54.899 71.774 -39.067 1.00 0.00 N ATOM 144 CA TYR A 11 54.338 70.368 -38.854 1.00 0.00 C ATOM 145 C TYR A 11 52.889 70.426 -38.314 1.00 0.00 C ATOM 146 O TYR A 11 52.663 70.688 -37.148 1.00 0.00 O ATOM 147 CB TYR A 11 55.238 69.587 -37.866 1.00 0.00 C ATOM 148 CG TYR A 11 54.708 68.209 -37.520 1.00 0.00 C ATOM 149 CD1 TYR A 11 53.624 68.060 -36.646 1.00 0.00 C ATOM 150 CD2 TYR A 11 55.345 67.076 -38.037 1.00 0.00 C ATOM 151 CE1 TYR A 11 53.174 66.782 -36.299 1.00 0.00 C ATOM 152 CE2 TYR A 11 54.899 65.799 -37.683 1.00 0.00 C ATOM 153 CZ TYR A 11 53.813 65.652 -36.815 1.00 0.00 C ATOM 154 OH TYR A 11 53.375 64.392 -36.466 1.00 0.00 O ATOM 0 H TYR A 11 54.327 72.365 -39.670 1.00 0.00 H new ATOM 0 HA TYR A 11 54.324 69.855 -39.815 1.00 0.00 H new ATOM 0 HB2 TYR A 11 56.234 69.486 -38.297 1.00 0.00 H new ATOM 0 HB3 TYR A 11 55.345 70.167 -36.949 1.00 0.00 H new ATOM 0 HD1 TYR A 11 53.135 68.933 -36.239 1.00 0.00 H new ATOM 0 HD2 TYR A 11 56.182 67.188 -38.710 1.00 0.00 H new ATOM 0 HE1 TYR A 11 52.332 66.669 -35.632 1.00 0.00 H new ATOM 0 HE2 TYR A 11 55.394 64.925 -38.081 1.00 0.00 H new ATOM 0 HH TYR A 11 53.928 63.718 -36.913 1.00 0.00 H new ATOM 164 N THR A 12 51.907 70.174 -39.157 1.00 0.00 N ATOM 165 CA THR A 12 50.473 70.188 -38.690 1.00 0.00 C ATOM 166 C THR A 12 49.858 68.794 -38.909 1.00 0.00 C ATOM 167 O THR A 12 49.336 68.495 -39.970 1.00 0.00 O ATOM 168 CB THR A 12 49.715 71.192 -39.532 1.00 0.00 C ATOM 169 OG1 THR A 12 50.099 72.508 -39.163 1.00 0.00 O ATOM 170 CG2 THR A 12 48.219 71.015 -39.321 1.00 0.00 C ATOM 0 H THR A 12 52.035 69.960 -40.146 1.00 0.00 H new ATOM 0 HA THR A 12 50.420 70.452 -37.634 1.00 0.00 H new ATOM 0 HB THR A 12 49.949 71.030 -40.584 1.00 0.00 H new ATOM 0 HG1 THR A 12 49.609 73.157 -39.710 1.00 0.00 H new ATOM 0 HG21 THR A 12 47.678 71.740 -39.929 1.00 0.00 H new ATOM 0 HG22 THR A 12 47.927 70.006 -39.613 1.00 0.00 H new ATOM 0 HG23 THR A 12 47.979 71.172 -38.269 1.00 0.00 H new ATOM 178 N LYS A 13 49.928 67.942 -37.921 1.00 0.00 N ATOM 179 CA LYS A 13 49.373 66.557 -38.057 1.00 0.00 C ATOM 180 C LYS A 13 47.836 66.568 -38.109 1.00 0.00 C ATOM 181 O LYS A 13 47.170 66.533 -37.085 1.00 0.00 O ATOM 182 CB LYS A 13 49.855 65.721 -36.864 1.00 0.00 C ATOM 183 CG LYS A 13 49.343 64.283 -36.980 1.00 0.00 C ATOM 184 CD LYS A 13 48.935 63.784 -35.589 1.00 0.00 C ATOM 185 CE LYS A 13 47.424 63.558 -35.544 1.00 0.00 C ATOM 186 NZ LYS A 13 46.727 64.860 -35.342 1.00 0.00 N ATOM 0 H LYS A 13 50.350 68.146 -37.015 1.00 0.00 H new ATOM 0 HA LYS A 13 49.726 66.123 -38.993 1.00 0.00 H new ATOM 0 HB2 LYS A 13 50.944 65.724 -36.826 1.00 0.00 H new ATOM 0 HB3 LYS A 13 49.502 66.166 -35.934 1.00 0.00 H new ATOM 0 HG2 LYS A 13 48.492 64.240 -37.660 1.00 0.00 H new ATOM 0 HG3 LYS A 13 50.118 63.640 -37.398 1.00 0.00 H new ATOM 0 HD2 LYS A 13 49.458 62.856 -35.357 1.00 0.00 H new ATOM 0 HD3 LYS A 13 49.226 64.512 -34.831 1.00 0.00 H new ATOM 0 HE2 LYS A 13 47.088 63.095 -36.472 1.00 0.00 H new ATOM 0 HE3 LYS A 13 47.173 62.871 -34.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 45.698 64.707 -35.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 47.013 65.269 -34.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 46.983 65.513 -36.110 1.00 0.00 H new ATOM 200 N TYR A 14 47.268 66.580 -39.295 1.00 0.00 N ATOM 201 CA TYR A 14 45.776 66.560 -39.415 1.00 0.00 C ATOM 202 C TYR A 14 45.266 65.115 -39.354 1.00 0.00 C ATOM 203 O TYR A 14 45.924 64.183 -39.799 1.00 0.00 O ATOM 204 CB TYR A 14 45.322 67.228 -40.737 1.00 0.00 C ATOM 205 CG TYR A 14 44.710 66.206 -41.685 1.00 0.00 C ATOM 206 CD1 TYR A 14 43.352 65.870 -41.577 1.00 0.00 C ATOM 207 CD2 TYR A 14 45.500 65.591 -42.660 1.00 0.00 C ATOM 208 CE1 TYR A 14 42.789 64.925 -42.442 1.00 0.00 C ATOM 209 CE2 TYR A 14 44.933 64.643 -43.528 1.00 0.00 C ATOM 210 CZ TYR A 14 43.577 64.311 -43.417 1.00 0.00 C ATOM 211 OH TYR A 14 43.011 63.379 -44.267 1.00 0.00 O ATOM 0 H TYR A 14 47.773 66.603 -40.181 1.00 0.00 H new ATOM 0 HA TYR A 14 45.355 67.125 -38.583 1.00 0.00 H new ATOM 0 HB2 TYR A 14 44.594 68.010 -40.522 1.00 0.00 H new ATOM 0 HB3 TYR A 14 46.175 67.709 -41.217 1.00 0.00 H new ATOM 0 HD1 TYR A 14 42.739 66.342 -40.824 1.00 0.00 H new ATOM 0 HD2 TYR A 14 46.546 65.844 -42.746 1.00 0.00 H new ATOM 0 HE1 TYR A 14 41.743 64.670 -42.355 1.00 0.00 H new ATOM 0 HE2 TYR A 14 45.544 64.169 -44.282 1.00 0.00 H new ATOM 0 HH TYR A 14 43.692 63.046 -44.888 1.00 0.00 H new ATOM 221 N ASN A 15 44.080 64.950 -38.825 1.00 0.00 N ATOM 222 CA ASN A 15 43.451 63.600 -38.730 1.00 0.00 C ATOM 223 C ASN A 15 41.957 63.752 -38.394 1.00 0.00 C ATOM 224 O ASN A 15 41.120 63.046 -38.933 1.00 0.00 O ATOM 225 CB ASN A 15 44.167 62.759 -37.655 1.00 0.00 C ATOM 226 CG ASN A 15 43.826 63.269 -36.252 1.00 0.00 C ATOM 227 OD1 ASN A 15 44.512 64.118 -35.719 1.00 0.00 O ATOM 228 ND2 ASN A 15 42.795 62.787 -35.623 1.00 0.00 N ATOM 0 H ASN A 15 43.512 65.709 -38.448 1.00 0.00 H new ATOM 0 HA ASN A 15 43.546 63.086 -39.687 1.00 0.00 H new ATOM 0 HB2 ASN A 15 43.873 61.714 -37.749 1.00 0.00 H new ATOM 0 HB3 ASN A 15 45.245 62.802 -37.811 1.00 0.00 H new ATOM 0 HD21 ASN A 15 42.566 63.122 -34.687 1.00 0.00 H new ATOM 0 HD22 ASN A 15 42.215 62.074 -36.065 1.00 0.00 H new ATOM 235 N ASP A 16 41.626 64.667 -37.512 1.00 0.00 N ATOM 236 CA ASP A 16 40.203 64.887 -37.115 1.00 0.00 C ATOM 237 C ASP A 16 39.364 65.301 -38.340 1.00 0.00 C ATOM 238 O ASP A 16 38.479 64.588 -38.776 1.00 0.00 O ATOM 239 CB ASP A 16 40.148 65.989 -36.044 1.00 0.00 C ATOM 240 CG ASP A 16 41.294 65.796 -35.045 1.00 0.00 C ATOM 241 OD1 ASP A 16 42.418 66.125 -35.396 1.00 0.00 O ATOM 242 OD2 ASP A 16 41.032 65.325 -33.955 1.00 0.00 O ATOM 0 H ASP A 16 42.295 65.279 -37.045 1.00 0.00 H new ATOM 0 HA ASP A 16 39.791 63.961 -36.713 1.00 0.00 H new ATOM 0 HB2 ASP A 16 40.223 66.970 -36.513 1.00 0.00 H new ATOM 0 HB3 ASP A 16 39.190 65.957 -35.524 1.00 0.00 H new ATOM 247 N ASP A 17 39.663 66.455 -38.874 1.00 0.00 N ATOM 248 CA ASP A 17 38.942 67.022 -40.070 1.00 0.00 C ATOM 249 C ASP A 17 39.448 68.462 -40.248 1.00 0.00 C ATOM 250 O ASP A 17 39.735 68.918 -41.340 1.00 0.00 O ATOM 251 CB ASP A 17 37.423 67.022 -39.825 1.00 0.00 C ATOM 252 CG ASP A 17 36.704 66.435 -41.040 1.00 0.00 C ATOM 253 OD1 ASP A 17 36.596 65.221 -41.113 1.00 0.00 O ATOM 254 OD2 ASP A 17 36.275 67.208 -41.879 1.00 0.00 O ATOM 0 H ASP A 17 40.407 67.057 -38.521 1.00 0.00 H new ATOM 0 HA ASP A 17 39.133 66.425 -40.961 1.00 0.00 H new ATOM 0 HB2 ASP A 17 37.189 66.438 -38.935 1.00 0.00 H new ATOM 0 HB3 ASP A 17 37.075 68.038 -39.640 1.00 0.00 H new ATOM 259 N ASP A 18 39.595 69.143 -39.139 1.00 0.00 N ATOM 260 CA ASP A 18 40.132 70.539 -39.119 1.00 0.00 C ATOM 261 C ASP A 18 40.960 70.723 -37.828 1.00 0.00 C ATOM 262 O ASP A 18 41.982 71.380 -37.835 1.00 0.00 O ATOM 263 CB ASP A 18 38.969 71.549 -39.159 1.00 0.00 C ATOM 264 CG ASP A 18 39.465 72.949 -38.769 1.00 0.00 C ATOM 265 OD1 ASP A 18 40.019 73.623 -39.623 1.00 0.00 O ATOM 266 OD2 ASP A 18 39.280 73.329 -37.624 1.00 0.00 O ATOM 0 H ASP A 18 39.357 68.777 -38.217 1.00 0.00 H new ATOM 0 HA ASP A 18 40.764 70.713 -39.990 1.00 0.00 H new ATOM 0 HB2 ASP A 18 38.535 71.575 -40.159 1.00 0.00 H new ATOM 0 HB3 ASP A 18 38.180 71.232 -38.477 1.00 0.00 H new ATOM 271 N THR A 19 40.523 70.127 -36.729 1.00 0.00 N ATOM 272 CA THR A 19 41.266 70.231 -35.429 1.00 0.00 C ATOM 273 C THR A 19 42.755 69.925 -35.667 1.00 0.00 C ATOM 274 O THR A 19 43.575 70.825 -35.749 1.00 0.00 O ATOM 275 CB THR A 19 40.653 69.220 -34.438 1.00 0.00 C ATOM 276 OG1 THR A 19 39.469 69.774 -33.884 1.00 0.00 O ATOM 277 CG2 THR A 19 41.635 68.892 -33.308 1.00 0.00 C ATOM 0 H THR A 19 39.671 69.567 -36.684 1.00 0.00 H new ATOM 0 HA THR A 19 41.184 71.237 -35.017 1.00 0.00 H new ATOM 0 HB THR A 19 40.427 68.299 -34.975 1.00 0.00 H new ATOM 0 HG1 THR A 19 38.911 69.056 -33.519 1.00 0.00 H new ATOM 0 HG21 THR A 19 41.177 68.177 -32.624 1.00 0.00 H new ATOM 0 HG22 THR A 19 42.543 68.461 -33.729 1.00 0.00 H new ATOM 0 HG23 THR A 19 41.884 69.804 -32.766 1.00 0.00 H new ATOM 285 N PHE A 20 43.103 68.664 -35.788 1.00 0.00 N ATOM 286 CA PHE A 20 44.525 68.273 -36.048 1.00 0.00 C ATOM 287 C PHE A 20 45.406 68.532 -34.828 1.00 0.00 C ATOM 288 O PHE A 20 44.995 69.116 -33.835 1.00 0.00 O ATOM 289 CB PHE A 20 45.111 69.104 -37.207 1.00 0.00 C ATOM 290 CG PHE A 20 44.202 69.131 -38.415 1.00 0.00 C ATOM 291 CD1 PHE A 20 43.170 68.199 -38.566 1.00 0.00 C ATOM 292 CD2 PHE A 20 44.418 70.096 -39.402 1.00 0.00 C ATOM 293 CE1 PHE A 20 42.358 68.238 -39.702 1.00 0.00 C ATOM 294 CE2 PHE A 20 43.607 70.132 -40.538 1.00 0.00 C ATOM 295 CZ PHE A 20 42.578 69.203 -40.689 1.00 0.00 C ATOM 0 H PHE A 20 42.453 67.881 -35.717 1.00 0.00 H new ATOM 0 HA PHE A 20 44.517 67.210 -36.290 1.00 0.00 H new ATOM 0 HB2 PHE A 20 45.288 70.124 -36.866 1.00 0.00 H new ATOM 0 HB3 PHE A 20 46.079 68.692 -37.493 1.00 0.00 H new ATOM 0 HD1 PHE A 20 43.001 67.451 -37.806 1.00 0.00 H new ATOM 0 HD2 PHE A 20 45.214 70.816 -39.286 1.00 0.00 H new ATOM 0 HE1 PHE A 20 41.559 67.521 -39.818 1.00 0.00 H new ATOM 0 HE2 PHE A 20 43.777 70.879 -41.299 1.00 0.00 H new ATOM 0 HZ PHE A 20 41.951 69.229 -41.568 1.00 0.00 H new ATOM 305 N THR A 21 46.649 68.146 -34.949 1.00 0.00 N ATOM 306 CA THR A 21 47.644 68.401 -33.881 1.00 0.00 C ATOM 307 C THR A 21 48.744 69.251 -34.509 1.00 0.00 C ATOM 308 O THR A 21 49.509 68.805 -35.347 1.00 0.00 O ATOM 309 CB THR A 21 48.217 67.111 -33.308 1.00 0.00 C ATOM 310 OG1 THR A 21 47.251 66.062 -33.393 1.00 0.00 O ATOM 311 CG2 THR A 21 48.552 67.387 -31.853 1.00 0.00 C ATOM 0 H THR A 21 47.018 67.655 -35.763 1.00 0.00 H new ATOM 0 HA THR A 21 47.172 68.913 -33.042 1.00 0.00 H new ATOM 0 HB THR A 21 49.101 66.798 -33.864 1.00 0.00 H new ATOM 0 HG1 THR A 21 46.853 65.912 -32.510 1.00 0.00 H new ATOM 0 HG21 THR A 21 48.967 66.488 -31.398 1.00 0.00 H new ATOM 0 HG22 THR A 21 49.283 68.194 -31.795 1.00 0.00 H new ATOM 0 HG23 THR A 21 47.647 67.678 -31.320 1.00 0.00 H new ATOM 319 N VAL A 22 48.754 70.490 -34.152 1.00 0.00 N ATOM 320 CA VAL A 22 49.700 71.472 -34.737 1.00 0.00 C ATOM 321 C VAL A 22 51.014 71.562 -33.954 1.00 0.00 C ATOM 322 O VAL A 22 51.030 71.807 -32.766 1.00 0.00 O ATOM 323 CB VAL A 22 48.991 72.829 -34.719 1.00 0.00 C ATOM 324 CG1 VAL A 22 49.941 73.935 -35.151 1.00 0.00 C ATOM 325 CG2 VAL A 22 47.797 72.792 -35.674 1.00 0.00 C ATOM 0 H VAL A 22 48.124 70.883 -33.453 1.00 0.00 H new ATOM 0 HA VAL A 22 49.968 71.160 -35.747 1.00 0.00 H new ATOM 0 HB VAL A 22 48.652 73.031 -33.703 1.00 0.00 H new ATOM 0 HG11 VAL A 22 49.419 74.891 -35.132 1.00 0.00 H new ATOM 0 HG12 VAL A 22 50.791 73.972 -34.469 1.00 0.00 H new ATOM 0 HG13 VAL A 22 50.296 73.736 -36.162 1.00 0.00 H new ATOM 0 HG21 VAL A 22 47.291 73.758 -35.662 1.00 0.00 H new ATOM 0 HG22 VAL A 22 48.146 72.577 -36.684 1.00 0.00 H new ATOM 0 HG23 VAL A 22 47.102 72.015 -35.357 1.00 0.00 H new ATOM 335 N LYS A 23 52.108 71.424 -34.659 1.00 0.00 N ATOM 336 CA LYS A 23 53.475 71.553 -34.063 1.00 0.00 C ATOM 337 C LYS A 23 54.039 72.856 -34.615 1.00 0.00 C ATOM 338 O LYS A 23 54.887 72.864 -35.502 1.00 0.00 O ATOM 339 CB LYS A 23 54.345 70.395 -34.541 1.00 0.00 C ATOM 340 CG LYS A 23 55.582 70.268 -33.654 1.00 0.00 C ATOM 341 CD LYS A 23 56.804 69.988 -34.532 1.00 0.00 C ATOM 342 CE LYS A 23 57.729 71.207 -34.527 1.00 0.00 C ATOM 343 NZ LYS A 23 57.268 72.190 -35.552 1.00 0.00 N ATOM 0 H LYS A 23 52.110 71.220 -35.658 1.00 0.00 H new ATOM 0 HA LYS A 23 53.447 71.543 -32.973 1.00 0.00 H new ATOM 0 HB2 LYS A 23 53.774 69.467 -34.517 1.00 0.00 H new ATOM 0 HB3 LYS A 23 54.645 70.558 -35.576 1.00 0.00 H new ATOM 0 HG2 LYS A 23 55.731 71.185 -33.084 1.00 0.00 H new ATOM 0 HG3 LYS A 23 55.446 69.463 -32.932 1.00 0.00 H new ATOM 0 HD2 LYS A 23 57.337 69.112 -34.162 1.00 0.00 H new ATOM 0 HD3 LYS A 23 56.489 69.762 -35.551 1.00 0.00 H new ATOM 0 HE2 LYS A 23 57.732 71.670 -33.540 1.00 0.00 H new ATOM 0 HE3 LYS A 23 58.753 70.900 -34.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 57.908 73.010 -35.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 57.271 71.741 -36.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 56.304 72.505 -35.322 1.00 0.00 H new ATOM 357 N VAL A 24 53.535 73.959 -34.149 1.00 0.00 N ATOM 358 CA VAL A 24 53.981 75.264 -34.711 1.00 0.00 C ATOM 359 C VAL A 24 54.072 76.332 -33.621 1.00 0.00 C ATOM 360 O VAL A 24 53.962 76.050 -32.441 1.00 0.00 O ATOM 361 CB VAL A 24 52.971 75.689 -35.782 1.00 0.00 C ATOM 362 CG1 VAL A 24 52.493 74.462 -36.568 1.00 0.00 C ATOM 363 CG2 VAL A 24 51.768 76.363 -35.125 1.00 0.00 C ATOM 0 H VAL A 24 52.837 74.017 -33.407 1.00 0.00 H new ATOM 0 HA VAL A 24 54.975 75.154 -35.144 1.00 0.00 H new ATOM 0 HB VAL A 24 53.456 76.390 -36.461 1.00 0.00 H new ATOM 0 HG11 VAL A 24 51.775 74.773 -37.327 1.00 0.00 H new ATOM 0 HG12 VAL A 24 53.346 73.983 -37.049 1.00 0.00 H new ATOM 0 HG13 VAL A 24 52.018 73.756 -35.887 1.00 0.00 H new ATOM 0 HG21 VAL A 24 51.054 76.662 -35.893 1.00 0.00 H new ATOM 0 HG22 VAL A 24 51.290 75.665 -34.438 1.00 0.00 H new ATOM 0 HG23 VAL A 24 52.100 77.244 -34.575 1.00 0.00 H new ATOM 373 N GLY A 25 54.278 77.561 -34.019 1.00 0.00 N ATOM 374 CA GLY A 25 54.388 78.668 -33.013 1.00 0.00 C ATOM 375 C GLY A 25 55.564 78.371 -32.110 1.00 0.00 C ATOM 376 O GLY A 25 56.712 78.573 -32.475 1.00 0.00 O ATOM 0 H GLY A 25 54.375 77.849 -34.993 1.00 0.00 H new ATOM 0 HA2 GLY A 25 54.527 79.625 -33.515 1.00 0.00 H new ATOM 0 HA3 GLY A 25 53.470 78.744 -32.430 1.00 0.00 H new ATOM 380 N ASP A 26 55.286 77.874 -30.947 1.00 0.00 N ATOM 381 CA ASP A 26 56.376 77.519 -30.007 1.00 0.00 C ATOM 382 C ASP A 26 56.051 76.185 -29.323 1.00 0.00 C ATOM 383 O ASP A 26 56.687 75.817 -28.346 1.00 0.00 O ATOM 384 CB ASP A 26 56.506 78.614 -28.941 1.00 0.00 C ATOM 385 CG ASP A 26 56.652 79.986 -29.611 1.00 0.00 C ATOM 386 OD1 ASP A 26 57.772 80.364 -29.907 1.00 0.00 O ATOM 387 OD2 ASP A 26 55.636 80.636 -29.822 1.00 0.00 O ATOM 0 H ASP A 26 54.343 77.696 -30.602 1.00 0.00 H new ATOM 0 HA ASP A 26 57.312 77.428 -30.557 1.00 0.00 H new ATOM 0 HB2 ASP A 26 55.629 78.608 -28.293 1.00 0.00 H new ATOM 0 HB3 ASP A 26 57.371 78.416 -28.308 1.00 0.00 H new ATOM 392 N LYS A 27 55.057 75.468 -29.813 1.00 0.00 N ATOM 393 CA LYS A 27 54.666 74.174 -29.173 1.00 0.00 C ATOM 394 C LYS A 27 53.956 73.246 -30.181 1.00 0.00 C ATOM 395 O LYS A 27 53.792 73.560 -31.356 1.00 0.00 O ATOM 396 CB LYS A 27 53.696 74.474 -28.013 1.00 0.00 C ATOM 397 CG LYS A 27 54.404 75.278 -26.914 1.00 0.00 C ATOM 398 CD LYS A 27 55.446 74.390 -26.229 1.00 0.00 C ATOM 399 CE LYS A 27 56.321 75.237 -25.301 1.00 0.00 C ATOM 400 NZ LYS A 27 57.482 75.773 -26.074 1.00 0.00 N ATOM 0 H LYS A 27 54.503 75.729 -30.629 1.00 0.00 H new ATOM 0 HA LYS A 27 55.567 73.675 -28.815 1.00 0.00 H new ATOM 0 HB2 LYS A 27 52.837 75.033 -28.385 1.00 0.00 H new ATOM 0 HB3 LYS A 27 53.314 73.540 -27.600 1.00 0.00 H new ATOM 0 HG2 LYS A 27 54.884 76.157 -27.343 1.00 0.00 H new ATOM 0 HG3 LYS A 27 53.678 75.636 -26.184 1.00 0.00 H new ATOM 0 HD2 LYS A 27 54.949 73.605 -25.659 1.00 0.00 H new ATOM 0 HD3 LYS A 27 56.066 73.897 -26.978 1.00 0.00 H new ATOM 0 HE2 LYS A 27 55.739 76.057 -24.881 1.00 0.00 H new ATOM 0 HE3 LYS A 27 56.673 74.635 -24.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 57.817 76.652 -25.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 58.250 75.072 -26.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 57.187 75.968 -27.052 1.00 0.00 H new ATOM 414 N GLU A 28 53.522 72.105 -29.704 1.00 0.00 N ATOM 415 CA GLU A 28 52.802 71.129 -30.570 1.00 0.00 C ATOM 416 C GLU A 28 51.641 70.529 -29.769 1.00 0.00 C ATOM 417 O GLU A 28 51.837 70.054 -28.661 1.00 0.00 O ATOM 418 CB GLU A 28 53.763 70.014 -30.988 1.00 0.00 C ATOM 419 CG GLU A 28 53.015 68.984 -31.854 1.00 0.00 C ATOM 420 CD GLU A 28 53.905 67.764 -32.110 1.00 0.00 C ATOM 421 OE1 GLU A 28 54.362 67.174 -31.146 1.00 0.00 O ATOM 422 OE2 GLU A 28 54.109 67.441 -33.269 1.00 0.00 O ATOM 0 H GLU A 28 53.640 71.807 -28.736 1.00 0.00 H new ATOM 0 HA GLU A 28 52.422 71.628 -31.461 1.00 0.00 H new ATOM 0 HB2 GLU A 28 54.601 70.433 -31.545 1.00 0.00 H new ATOM 0 HB3 GLU A 28 54.178 69.528 -30.105 1.00 0.00 H new ATOM 0 HG2 GLU A 28 52.097 68.675 -31.354 1.00 0.00 H new ATOM 0 HG3 GLU A 28 52.725 69.437 -32.802 1.00 0.00 H new ATOM 429 N LEU A 29 50.435 70.546 -30.301 1.00 0.00 N ATOM 430 CA LEU A 29 49.284 69.967 -29.530 1.00 0.00 C ATOM 431 C LEU A 29 47.983 69.960 -30.364 1.00 0.00 C ATOM 432 O LEU A 29 47.905 70.541 -31.435 1.00 0.00 O ATOM 433 CB LEU A 29 49.119 70.767 -28.217 1.00 0.00 C ATOM 434 CG LEU A 29 48.056 71.871 -28.326 1.00 0.00 C ATOM 435 CD1 LEU A 29 48.059 72.680 -27.031 1.00 0.00 C ATOM 436 CD2 LEU A 29 48.371 72.822 -29.478 1.00 0.00 C ATOM 0 H LEU A 29 50.202 70.928 -31.218 1.00 0.00 H new ATOM 0 HA LEU A 29 49.495 68.924 -29.293 1.00 0.00 H new ATOM 0 HB2 LEU A 29 48.847 70.084 -27.412 1.00 0.00 H new ATOM 0 HB3 LEU A 29 50.075 71.214 -27.946 1.00 0.00 H new ATOM 0 HG LEU A 29 47.087 71.404 -28.503 1.00 0.00 H new ATOM 0 HD11 LEU A 29 47.309 73.468 -27.093 1.00 0.00 H new ATOM 0 HD12 LEU A 29 47.828 72.024 -26.192 1.00 0.00 H new ATOM 0 HD13 LEU A 29 49.043 73.126 -26.883 1.00 0.00 H new ATOM 0 HD21 LEU A 29 47.603 73.594 -29.533 1.00 0.00 H new ATOM 0 HD22 LEU A 29 49.342 73.288 -29.310 1.00 0.00 H new ATOM 0 HD23 LEU A 29 48.393 72.265 -30.414 1.00 0.00 H new ATOM 448 N PHE A 30 46.967 69.286 -29.869 1.00 0.00 N ATOM 449 CA PHE A 30 45.659 69.206 -30.586 1.00 0.00 C ATOM 450 C PHE A 30 44.995 70.579 -30.549 1.00 0.00 C ATOM 451 O PHE A 30 45.273 71.394 -29.684 1.00 0.00 O ATOM 452 CB PHE A 30 44.752 68.174 -29.904 1.00 0.00 C ATOM 453 CG PHE A 30 44.786 66.869 -30.667 1.00 0.00 C ATOM 454 CD1 PHE A 30 44.002 66.705 -31.816 1.00 0.00 C ATOM 455 CD2 PHE A 30 45.596 65.820 -30.221 1.00 0.00 C ATOM 456 CE1 PHE A 30 44.029 65.493 -32.519 1.00 0.00 C ATOM 457 CE2 PHE A 30 45.624 64.607 -30.923 1.00 0.00 C ATOM 458 CZ PHE A 30 44.840 64.443 -32.072 1.00 0.00 C ATOM 0 H PHE A 30 46.995 68.781 -28.983 1.00 0.00 H new ATOM 0 HA PHE A 30 45.823 68.900 -31.619 1.00 0.00 H new ATOM 0 HB2 PHE A 30 45.080 68.013 -28.877 1.00 0.00 H new ATOM 0 HB3 PHE A 30 43.730 68.551 -29.857 1.00 0.00 H new ATOM 0 HD1 PHE A 30 43.375 67.514 -32.161 1.00 0.00 H new ATOM 0 HD2 PHE A 30 46.201 65.945 -29.335 1.00 0.00 H new ATOM 0 HE1 PHE A 30 43.424 65.369 -33.405 1.00 0.00 H new ATOM 0 HE2 PHE A 30 46.251 63.798 -30.578 1.00 0.00 H new ATOM 0 HZ PHE A 30 44.861 63.508 -32.612 1.00 0.00 H new ATOM 468 N THR A 31 44.164 70.862 -31.507 1.00 0.00 N ATOM 469 CA THR A 31 43.532 72.230 -31.564 1.00 0.00 C ATOM 470 C THR A 31 42.114 72.156 -32.145 1.00 0.00 C ATOM 471 O THR A 31 41.924 71.707 -33.251 1.00 0.00 O ATOM 472 CB THR A 31 44.442 73.104 -32.449 1.00 0.00 C ATOM 473 OG1 THR A 31 43.670 73.911 -33.334 1.00 0.00 O ATOM 474 CG2 THR A 31 45.370 72.182 -33.257 1.00 0.00 C ATOM 0 H THR A 31 43.889 70.222 -32.252 1.00 0.00 H new ATOM 0 HA THR A 31 43.439 72.654 -30.564 1.00 0.00 H new ATOM 0 HB THR A 31 45.028 73.769 -31.815 1.00 0.00 H new ATOM 0 HG1 THR A 31 44.013 73.815 -34.247 1.00 0.00 H new ATOM 0 HG21 THR A 31 46.021 72.785 -33.889 1.00 0.00 H new ATOM 0 HG22 THR A 31 45.977 71.587 -32.574 1.00 0.00 H new ATOM 0 HG23 THR A 31 44.771 71.519 -33.881 1.00 0.00 H new ATOM 482 N ASN A 32 41.121 72.605 -31.410 1.00 0.00 N ATOM 483 CA ASN A 32 39.716 72.557 -31.932 1.00 0.00 C ATOM 484 C ASN A 32 38.947 73.844 -31.573 1.00 0.00 C ATOM 485 O ASN A 32 39.034 74.350 -30.468 1.00 0.00 O ATOM 486 CB ASN A 32 38.988 71.336 -31.344 1.00 0.00 C ATOM 487 CG ASN A 32 39.218 71.248 -29.833 1.00 0.00 C ATOM 488 OD1 ASN A 32 38.431 71.742 -29.057 1.00 0.00 O ATOM 489 ND2 ASN A 32 40.266 70.626 -29.377 1.00 0.00 N ATOM 0 H ASN A 32 41.223 73.001 -30.475 1.00 0.00 H new ATOM 0 HA ASN A 32 39.756 72.475 -33.018 1.00 0.00 H new ATOM 0 HB2 ASN A 32 37.920 71.408 -31.551 1.00 0.00 H new ATOM 0 HB3 ASN A 32 39.346 70.426 -31.825 1.00 0.00 H new ATOM 0 HD21 ASN A 32 40.421 70.557 -28.371 1.00 0.00 H new ATOM 0 HD22 ASN A 32 40.933 70.208 -30.025 1.00 0.00 H new ATOM 496 N ARG A 33 38.184 74.356 -32.514 1.00 0.00 N ATOM 497 CA ARG A 33 37.372 75.596 -32.274 1.00 0.00 C ATOM 498 C ARG A 33 36.270 75.687 -33.338 1.00 0.00 C ATOM 499 O ARG A 33 35.101 75.777 -33.015 1.00 0.00 O ATOM 500 CB ARG A 33 38.261 76.846 -32.356 1.00 0.00 C ATOM 501 CG ARG A 33 37.545 78.045 -31.703 1.00 0.00 C ATOM 502 CD ARG A 33 36.427 78.564 -32.619 1.00 0.00 C ATOM 503 NE ARG A 33 36.137 80.001 -32.303 1.00 0.00 N ATOM 504 CZ ARG A 33 35.176 80.645 -32.911 1.00 0.00 C ATOM 505 NH1 ARG A 33 34.343 80.027 -33.692 1.00 0.00 N ATOM 506 NH2 ARG A 33 35.037 81.920 -32.715 1.00 0.00 N ATOM 0 H ARG A 33 38.089 73.962 -33.450 1.00 0.00 H new ATOM 0 HA ARG A 33 36.931 75.544 -31.278 1.00 0.00 H new ATOM 0 HB2 ARG A 33 39.210 76.661 -31.853 1.00 0.00 H new ATOM 0 HB3 ARG A 33 38.490 77.072 -33.397 1.00 0.00 H new ATOM 0 HG2 ARG A 33 37.127 77.748 -30.741 1.00 0.00 H new ATOM 0 HG3 ARG A 33 38.262 78.842 -31.506 1.00 0.00 H new ATOM 0 HD2 ARG A 33 36.724 78.465 -33.663 1.00 0.00 H new ATOM 0 HD3 ARG A 33 35.527 77.964 -32.485 1.00 0.00 H new ATOM 0 HE ARG A 33 36.699 80.484 -31.602 1.00 0.00 H new ATOM 0 HH11 ARG A 33 34.432 79.022 -33.840 1.00 0.00 H new ATOM 0 HH12 ARG A 33 33.599 80.547 -34.158 1.00 0.00 H new ATOM 0 HH21 ARG A 33 35.675 82.412 -32.090 1.00 0.00 H new ATOM 0 HH22 ARG A 33 34.289 82.430 -33.186 1.00 0.00 H new ATOM 520 N TRP A 34 36.641 75.660 -34.606 1.00 0.00 N ATOM 521 CA TRP A 34 35.616 75.743 -35.705 1.00 0.00 C ATOM 522 C TRP A 34 36.276 75.733 -37.108 1.00 0.00 C ATOM 523 O TRP A 34 35.662 75.316 -38.073 1.00 0.00 O ATOM 524 CB TRP A 34 34.750 77.006 -35.496 1.00 0.00 C ATOM 525 CG TRP A 34 35.223 78.177 -36.313 1.00 0.00 C ATOM 526 CD1 TRP A 34 34.454 78.832 -37.207 1.00 0.00 C ATOM 527 CD2 TRP A 34 36.519 78.856 -36.318 1.00 0.00 C ATOM 528 NE1 TRP A 34 35.187 79.861 -37.765 1.00 0.00 N ATOM 529 CE2 TRP A 34 36.465 79.917 -37.254 1.00 0.00 C ATOM 530 CE3 TRP A 34 37.724 78.662 -35.616 1.00 0.00 C ATOM 531 CZ2 TRP A 34 37.560 80.748 -37.487 1.00 0.00 C ATOM 532 CZ3 TRP A 34 38.828 79.496 -35.848 1.00 0.00 C ATOM 533 CH2 TRP A 34 38.746 80.538 -36.780 1.00 0.00 C ATOM 0 H TRP A 34 37.607 75.584 -34.924 1.00 0.00 H new ATOM 0 HA TRP A 34 34.978 74.861 -35.659 1.00 0.00 H new ATOM 0 HB2 TRP A 34 33.716 76.780 -35.758 1.00 0.00 H new ATOM 0 HB3 TRP A 34 34.760 77.277 -34.440 1.00 0.00 H new ATOM 0 HD1 TRP A 34 33.429 78.590 -37.448 1.00 0.00 H new ATOM 0 HE1 TRP A 34 34.825 80.503 -38.471 1.00 0.00 H new ATOM 0 HE3 TRP A 34 37.799 77.864 -34.892 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 37.492 81.548 -38.209 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 39.747 79.333 -35.304 1.00 0.00 H new ATOM 0 HH2 TRP A 34 39.599 81.178 -36.952 1.00 0.00 H new ATOM 544 N ASN A 35 37.513 76.176 -37.224 1.00 0.00 N ATOM 545 CA ASN A 35 38.215 76.188 -38.550 1.00 0.00 C ATOM 546 C ASN A 35 39.626 76.779 -38.375 1.00 0.00 C ATOM 547 O ASN A 35 39.928 77.863 -38.849 1.00 0.00 O ATOM 548 CB ASN A 35 37.423 77.030 -39.561 1.00 0.00 C ATOM 549 CG ASN A 35 37.812 76.614 -40.981 1.00 0.00 C ATOM 550 OD1 ASN A 35 38.753 77.132 -41.548 1.00 0.00 O ATOM 551 ND2 ASN A 35 37.126 75.689 -41.585 1.00 0.00 N ATOM 0 H ASN A 35 38.069 76.533 -36.446 1.00 0.00 H new ATOM 0 HA ASN A 35 38.289 75.167 -38.925 1.00 0.00 H new ATOM 0 HB2 ASN A 35 36.353 76.890 -39.409 1.00 0.00 H new ATOM 0 HB3 ASN A 35 37.630 78.090 -39.411 1.00 0.00 H new ATOM 0 HD21 ASN A 35 37.379 75.402 -42.530 1.00 0.00 H new ATOM 0 HD22 ASN A 35 36.335 75.251 -41.113 1.00 0.00 H new ATOM 558 N LEU A 36 40.495 76.070 -37.695 1.00 0.00 N ATOM 559 CA LEU A 36 41.890 76.577 -37.484 1.00 0.00 C ATOM 560 C LEU A 36 42.731 76.353 -38.755 1.00 0.00 C ATOM 561 O LEU A 36 43.750 76.998 -38.950 1.00 0.00 O ATOM 562 CB LEU A 36 42.522 75.844 -36.294 1.00 0.00 C ATOM 563 CG LEU A 36 42.499 76.759 -35.062 1.00 0.00 C ATOM 564 CD1 LEU A 36 41.587 76.161 -33.991 1.00 0.00 C ATOM 565 CD2 LEU A 36 43.913 76.896 -34.496 1.00 0.00 C ATOM 0 H LEU A 36 40.299 75.161 -37.276 1.00 0.00 H new ATOM 0 HA LEU A 36 41.859 77.646 -37.273 1.00 0.00 H new ATOM 0 HB2 LEU A 36 41.976 74.924 -36.088 1.00 0.00 H new ATOM 0 HB3 LEU A 36 43.547 75.560 -36.531 1.00 0.00 H new ATOM 0 HG LEU A 36 42.124 77.740 -35.355 1.00 0.00 H new ATOM 0 HD11 LEU A 36 41.574 76.814 -33.118 1.00 0.00 H new ATOM 0 HD12 LEU A 36 40.576 76.064 -34.387 1.00 0.00 H new ATOM 0 HD13 LEU A 36 41.960 75.178 -33.703 1.00 0.00 H new ATOM 0 HD21 LEU A 36 43.893 77.546 -33.621 1.00 0.00 H new ATOM 0 HD22 LEU A 36 44.287 75.913 -34.209 1.00 0.00 H new ATOM 0 HD23 LEU A 36 44.568 77.326 -35.253 1.00 0.00 H new ATOM 577 N GLN A 37 42.305 75.457 -39.623 1.00 0.00 N ATOM 578 CA GLN A 37 43.057 75.194 -40.892 1.00 0.00 C ATOM 579 C GLN A 37 43.307 76.517 -41.622 1.00 0.00 C ATOM 580 O GLN A 37 44.420 76.821 -42.015 1.00 0.00 O ATOM 581 CB GLN A 37 42.219 74.284 -41.794 1.00 0.00 C ATOM 582 CG GLN A 37 42.627 72.828 -41.584 1.00 0.00 C ATOM 583 CD GLN A 37 42.075 71.979 -42.727 1.00 0.00 C ATOM 584 OE1 GLN A 37 42.744 71.769 -43.717 1.00 0.00 O ATOM 585 NE2 GLN A 37 40.877 71.478 -42.640 1.00 0.00 N ATOM 0 H GLN A 37 41.462 74.895 -39.502 1.00 0.00 H new ATOM 0 HA GLN A 37 44.008 74.716 -40.657 1.00 0.00 H new ATOM 0 HB2 GLN A 37 41.160 74.410 -41.570 1.00 0.00 H new ATOM 0 HB3 GLN A 37 42.359 74.563 -42.838 1.00 0.00 H new ATOM 0 HG2 GLN A 37 43.713 72.745 -41.546 1.00 0.00 H new ATOM 0 HG3 GLN A 37 42.246 72.466 -40.629 1.00 0.00 H new ATOM 0 HE21 GLN A 37 40.311 71.652 -41.810 1.00 0.00 H new ATOM 0 HE22 GLN A 37 40.504 70.912 -43.402 1.00 0.00 H new ATOM 594 N SER A 38 42.267 77.302 -41.801 1.00 0.00 N ATOM 595 CA SER A 38 42.404 78.617 -42.502 1.00 0.00 C ATOM 596 C SER A 38 43.495 79.463 -41.830 1.00 0.00 C ATOM 597 O SER A 38 44.247 80.156 -42.497 1.00 0.00 O ATOM 598 CB SER A 38 41.067 79.363 -42.445 1.00 0.00 C ATOM 599 OG SER A 38 41.046 80.367 -43.452 1.00 0.00 O ATOM 0 H SER A 38 41.322 77.083 -41.487 1.00 0.00 H new ATOM 0 HA SER A 38 42.683 78.442 -43.541 1.00 0.00 H new ATOM 0 HB2 SER A 38 40.242 78.666 -42.593 1.00 0.00 H new ATOM 0 HB3 SER A 38 40.931 79.814 -41.462 1.00 0.00 H new ATOM 0 HG SER A 38 40.191 80.845 -43.419 1.00 0.00 H new ATOM 605 N LEU A 39 43.591 79.408 -40.520 1.00 0.00 N ATOM 606 CA LEU A 39 44.632 80.203 -39.793 1.00 0.00 C ATOM 607 C LEU A 39 46.017 79.601 -40.055 1.00 0.00 C ATOM 608 O LEU A 39 46.959 80.313 -40.346 1.00 0.00 O ATOM 609 CB LEU A 39 44.332 80.186 -38.288 1.00 0.00 C ATOM 610 CG LEU A 39 43.286 81.255 -37.960 1.00 0.00 C ATOM 611 CD1 LEU A 39 41.934 80.855 -38.554 1.00 0.00 C ATOM 612 CD2 LEU A 39 43.149 81.381 -36.444 1.00 0.00 C ATOM 0 H LEU A 39 42.989 78.843 -39.922 1.00 0.00 H new ATOM 0 HA LEU A 39 44.617 81.233 -40.150 1.00 0.00 H new ATOM 0 HB2 LEU A 39 43.967 79.203 -37.991 1.00 0.00 H new ATOM 0 HB3 LEU A 39 45.245 80.371 -37.723 1.00 0.00 H new ATOM 0 HG LEU A 39 43.601 82.208 -38.384 1.00 0.00 H new ATOM 0 HD11 LEU A 39 41.193 81.619 -38.318 1.00 0.00 H new ATOM 0 HD12 LEU A 39 42.026 80.760 -39.636 1.00 0.00 H new ATOM 0 HD13 LEU A 39 41.619 79.901 -38.132 1.00 0.00 H new ATOM 0 HD21 LEU A 39 42.405 82.142 -36.208 1.00 0.00 H new ATOM 0 HD22 LEU A 39 42.835 80.424 -36.026 1.00 0.00 H new ATOM 0 HD23 LEU A 39 44.109 81.667 -36.014 1.00 0.00 H new ATOM 624 N LEU A 40 46.147 78.296 -39.970 1.00 0.00 N ATOM 625 CA LEU A 40 47.479 77.655 -40.234 1.00 0.00 C ATOM 626 C LEU A 40 47.886 77.918 -41.691 1.00 0.00 C ATOM 627 O LEU A 40 49.040 78.175 -41.991 1.00 0.00 O ATOM 628 CB LEU A 40 47.378 76.144 -40.001 1.00 0.00 C ATOM 629 CG LEU A 40 47.143 75.862 -38.517 1.00 0.00 C ATOM 630 CD1 LEU A 40 46.508 74.481 -38.362 1.00 0.00 C ATOM 631 CD2 LEU A 40 48.481 75.892 -37.775 1.00 0.00 C ATOM 0 H LEU A 40 45.394 77.650 -39.731 1.00 0.00 H new ATOM 0 HA LEU A 40 48.225 78.076 -39.560 1.00 0.00 H new ATOM 0 HB2 LEU A 40 46.562 75.730 -40.593 1.00 0.00 H new ATOM 0 HB3 LEU A 40 48.293 75.654 -40.333 1.00 0.00 H new ATOM 0 HG LEU A 40 46.480 76.620 -38.101 1.00 0.00 H new ATOM 0 HD11 LEU A 40 46.338 74.275 -37.305 1.00 0.00 H new ATOM 0 HD12 LEU A 40 45.557 74.456 -38.894 1.00 0.00 H new ATOM 0 HD13 LEU A 40 47.175 73.725 -38.776 1.00 0.00 H new ATOM 0 HD21 LEU A 40 48.315 75.691 -36.717 1.00 0.00 H new ATOM 0 HD22 LEU A 40 49.144 75.132 -38.189 1.00 0.00 H new ATOM 0 HD23 LEU A 40 48.939 76.874 -37.890 1.00 0.00 H new ATOM 643 N LEU A 41 46.931 77.851 -42.592 1.00 0.00 N ATOM 644 CA LEU A 41 47.209 78.090 -44.042 1.00 0.00 C ATOM 645 C LEU A 41 47.521 79.573 -44.280 1.00 0.00 C ATOM 646 O LEU A 41 48.638 79.926 -44.609 1.00 0.00 O ATOM 647 CB LEU A 41 45.974 77.682 -44.857 1.00 0.00 C ATOM 648 CG LEU A 41 46.195 76.305 -45.482 1.00 0.00 C ATOM 649 CD1 LEU A 41 46.557 75.294 -44.394 1.00 0.00 C ATOM 650 CD2 LEU A 41 44.911 75.854 -46.179 1.00 0.00 C ATOM 0 H LEU A 41 45.957 77.637 -42.377 1.00 0.00 H new ATOM 0 HA LEU A 41 48.070 77.498 -44.352 1.00 0.00 H new ATOM 0 HB2 LEU A 41 45.094 77.662 -44.214 1.00 0.00 H new ATOM 0 HB3 LEU A 41 45.783 78.419 -45.637 1.00 0.00 H new ATOM 0 HG LEU A 41 47.008 76.365 -46.205 1.00 0.00 H new ATOM 0 HD11 LEU A 41 46.713 74.314 -44.845 1.00 0.00 H new ATOM 0 HD12 LEU A 41 47.470 75.612 -43.891 1.00 0.00 H new ATOM 0 HD13 LEU A 41 45.746 75.234 -43.669 1.00 0.00 H new ATOM 0 HD21 LEU A 41 45.065 74.872 -46.626 1.00 0.00 H new ATOM 0 HD22 LEU A 41 44.102 75.798 -45.451 1.00 0.00 H new ATOM 0 HD23 LEU A 41 44.649 76.570 -46.958 1.00 0.00 H new ATOM 662 N SER A 42 46.545 80.437 -44.105 1.00 0.00 N ATOM 663 CA SER A 42 46.766 81.912 -44.310 1.00 0.00 C ATOM 664 C SER A 42 48.076 82.350 -43.642 1.00 0.00 C ATOM 665 O SER A 42 48.799 83.186 -44.163 1.00 0.00 O ATOM 666 CB SER A 42 45.598 82.693 -43.701 1.00 0.00 C ATOM 667 OG SER A 42 45.379 82.253 -42.366 1.00 0.00 O ATOM 0 H SER A 42 45.597 80.183 -43.827 1.00 0.00 H new ATOM 0 HA SER A 42 46.827 82.115 -45.379 1.00 0.00 H new ATOM 0 HB2 SER A 42 45.815 83.761 -43.712 1.00 0.00 H new ATOM 0 HB3 SER A 42 44.697 82.545 -44.297 1.00 0.00 H new ATOM 0 HG SER A 42 44.660 81.587 -42.355 1.00 0.00 H new ATOM 673 N ALA A 43 48.387 81.789 -42.496 1.00 0.00 N ATOM 674 CA ALA A 43 49.650 82.153 -41.787 1.00 0.00 C ATOM 675 C ALA A 43 50.856 81.833 -42.675 1.00 0.00 C ATOM 676 O ALA A 43 51.518 82.718 -43.147 1.00 0.00 O ATOM 677 CB ALA A 43 49.754 81.345 -40.488 1.00 0.00 C ATOM 0 H ALA A 43 47.815 81.091 -42.021 1.00 0.00 H new ATOM 0 HA ALA A 43 49.640 83.219 -41.561 1.00 0.00 H new ATOM 0 HB1 ALA A 43 50.675 81.609 -39.968 1.00 0.00 H new ATOM 0 HB2 ALA A 43 48.900 81.571 -39.850 1.00 0.00 H new ATOM 0 HB3 ALA A 43 49.761 80.280 -40.721 1.00 0.00 H new ATOM 683 N GLN A 44 51.135 80.574 -42.902 1.00 0.00 N ATOM 684 CA GLN A 44 52.298 80.169 -43.751 1.00 0.00 C ATOM 685 C GLN A 44 52.176 80.783 -45.145 1.00 0.00 C ATOM 686 O GLN A 44 53.162 81.164 -45.749 1.00 0.00 O ATOM 687 CB GLN A 44 52.333 78.638 -43.864 1.00 0.00 C ATOM 688 CG GLN A 44 53.629 78.104 -43.244 1.00 0.00 C ATOM 689 CD GLN A 44 54.713 77.997 -44.319 1.00 0.00 C ATOM 690 OE1 GLN A 44 55.182 76.918 -44.615 1.00 0.00 O ATOM 691 NE2 GLN A 44 55.138 79.073 -44.919 1.00 0.00 N ATOM 0 H GLN A 44 50.595 79.794 -42.527 1.00 0.00 H new ATOM 0 HA GLN A 44 53.218 80.527 -43.290 1.00 0.00 H new ATOM 0 HB2 GLN A 44 51.471 78.206 -43.356 1.00 0.00 H new ATOM 0 HB3 GLN A 44 52.269 78.339 -44.910 1.00 0.00 H new ATOM 0 HG2 GLN A 44 53.961 78.767 -42.445 1.00 0.00 H new ATOM 0 HG3 GLN A 44 53.452 77.127 -42.795 1.00 0.00 H new ATOM 0 HE21 GLN A 44 54.747 79.982 -44.673 1.00 0.00 H new ATOM 0 HE22 GLN A 44 55.862 79.006 -45.634 1.00 0.00 H new ATOM 700 N ILE A 45 50.976 80.884 -45.655 1.00 0.00 N ATOM 701 CA ILE A 45 50.781 81.477 -47.009 1.00 0.00 C ATOM 702 C ILE A 45 51.274 82.926 -47.003 1.00 0.00 C ATOM 703 O ILE A 45 52.098 83.320 -47.808 1.00 0.00 O ATOM 704 CB ILE A 45 49.294 81.459 -47.362 1.00 0.00 C ATOM 705 CG1 ILE A 45 48.823 80.013 -47.543 1.00 0.00 C ATOM 706 CG2 ILE A 45 49.065 82.232 -48.665 1.00 0.00 C ATOM 707 CD1 ILE A 45 47.318 79.991 -47.820 1.00 0.00 C ATOM 0 H ILE A 45 50.121 80.580 -45.190 1.00 0.00 H new ATOM 0 HA ILE A 45 51.341 80.898 -47.743 1.00 0.00 H new ATOM 0 HB ILE A 45 48.730 81.927 -46.555 1.00 0.00 H new ATOM 0 HG12 ILE A 45 49.361 79.546 -48.368 1.00 0.00 H new ATOM 0 HG13 ILE A 45 49.046 79.433 -46.648 1.00 0.00 H new ATOM 0 HG21 ILE A 45 48.004 82.218 -48.915 1.00 0.00 H new ATOM 0 HG22 ILE A 45 49.394 83.263 -48.539 1.00 0.00 H new ATOM 0 HG23 ILE A 45 49.633 81.765 -49.470 1.00 0.00 H new ATOM 0 HD11 ILE A 45 46.987 78.961 -47.948 1.00 0.00 H new ATOM 0 HD12 ILE A 45 46.787 80.441 -46.981 1.00 0.00 H new ATOM 0 HD13 ILE A 45 47.107 80.556 -48.728 1.00 0.00 H new ATOM 719 N THR A 46 50.761 83.712 -46.087 1.00 0.00 N ATOM 720 CA THR A 46 51.168 85.149 -45.981 1.00 0.00 C ATOM 721 C THR A 46 52.523 85.241 -45.275 1.00 0.00 C ATOM 722 O THR A 46 53.361 86.053 -45.620 1.00 0.00 O ATOM 723 CB THR A 46 50.111 85.925 -45.175 1.00 0.00 C ATOM 724 OG1 THR A 46 49.970 85.364 -43.874 1.00 0.00 O ATOM 725 CG2 THR A 46 48.767 85.868 -45.904 1.00 0.00 C ATOM 0 H THR A 46 50.069 83.415 -45.400 1.00 0.00 H new ATOM 0 HA THR A 46 51.248 85.581 -46.979 1.00 0.00 H new ATOM 0 HB THR A 46 50.433 86.962 -45.079 1.00 0.00 H new ATOM 0 HG1 THR A 46 49.217 84.737 -43.868 1.00 0.00 H new ATOM 0 HG21 THR A 46 48.019 86.418 -45.332 1.00 0.00 H new ATOM 0 HG22 THR A 46 48.870 86.316 -46.892 1.00 0.00 H new ATOM 0 HG23 THR A 46 48.453 84.829 -46.007 1.00 0.00 H new ATOM 733 N GLY A 47 52.733 84.407 -44.292 1.00 0.00 N ATOM 734 CA GLY A 47 54.018 84.408 -43.537 1.00 0.00 C ATOM 735 C GLY A 47 54.203 83.051 -42.877 1.00 0.00 C ATOM 736 O GLY A 47 54.652 82.119 -43.508 1.00 0.00 O ATOM 0 H GLY A 47 52.056 83.713 -43.976 1.00 0.00 H new ATOM 0 HA2 GLY A 47 54.850 84.617 -44.210 1.00 0.00 H new ATOM 0 HA3 GLY A 47 54.012 85.196 -42.784 1.00 0.00 H new ATOM 740 N MET A 48 53.817 82.951 -41.620 1.00 0.00 N ATOM 741 CA MET A 48 53.903 81.661 -40.842 1.00 0.00 C ATOM 742 C MET A 48 54.307 81.939 -39.386 1.00 0.00 C ATOM 743 O MET A 48 55.319 81.458 -38.914 1.00 0.00 O ATOM 744 CB MET A 48 54.907 80.666 -41.457 1.00 0.00 C ATOM 745 CG MET A 48 56.325 81.250 -41.453 1.00 0.00 C ATOM 746 SD MET A 48 57.330 80.387 -42.686 1.00 0.00 S ATOM 747 CE MET A 48 57.473 78.810 -41.807 1.00 0.00 C ATOM 0 H MET A 48 53.435 83.732 -41.086 1.00 0.00 H new ATOM 0 HA MET A 48 52.912 81.210 -40.880 1.00 0.00 H new ATOM 0 HB2 MET A 48 54.892 79.733 -40.894 1.00 0.00 H new ATOM 0 HB3 MET A 48 54.610 80.427 -42.478 1.00 0.00 H new ATOM 0 HG2 MET A 48 56.292 82.317 -41.676 1.00 0.00 H new ATOM 0 HG3 MET A 48 56.772 81.144 -40.464 1.00 0.00 H new ATOM 0 HE1 MET A 48 58.206 78.179 -42.309 1.00 0.00 H new ATOM 0 HE2 MET A 48 57.793 78.993 -40.781 1.00 0.00 H new ATOM 0 HE3 MET A 48 56.506 78.308 -41.801 1.00 0.00 H new ATOM 757 N THR A 49 53.519 82.689 -38.657 1.00 0.00 N ATOM 758 CA THR A 49 53.862 82.957 -37.221 1.00 0.00 C ATOM 759 C THR A 49 52.760 83.801 -36.575 1.00 0.00 C ATOM 760 O THR A 49 52.959 84.947 -36.203 1.00 0.00 O ATOM 761 CB THR A 49 55.242 83.637 -37.111 1.00 0.00 C ATOM 762 OG1 THR A 49 55.460 84.061 -35.770 1.00 0.00 O ATOM 763 CG2 THR A 49 55.325 84.843 -38.048 1.00 0.00 C ATOM 0 H THR A 49 52.659 83.126 -38.988 1.00 0.00 H new ATOM 0 HA THR A 49 53.924 82.012 -36.682 1.00 0.00 H new ATOM 0 HB THR A 49 56.008 82.917 -37.399 1.00 0.00 H new ATOM 0 HG1 THR A 49 54.840 84.788 -35.552 1.00 0.00 H new ATOM 0 HG21 THR A 49 56.306 85.309 -37.955 1.00 0.00 H new ATOM 0 HG22 THR A 49 55.174 84.516 -39.077 1.00 0.00 H new ATOM 0 HG23 THR A 49 54.554 85.565 -37.781 1.00 0.00 H new ATOM 771 N VAL A 50 51.593 83.215 -36.439 1.00 0.00 N ATOM 772 CA VAL A 50 50.433 83.928 -35.816 1.00 0.00 C ATOM 773 C VAL A 50 50.610 83.941 -34.293 1.00 0.00 C ATOM 774 O VAL A 50 51.720 83.905 -33.789 1.00 0.00 O ATOM 775 CB VAL A 50 49.125 83.199 -36.193 1.00 0.00 C ATOM 776 CG1 VAL A 50 49.135 82.875 -37.673 1.00 0.00 C ATOM 777 CG2 VAL A 50 48.997 81.898 -35.409 1.00 0.00 C ATOM 0 H VAL A 50 51.394 82.260 -36.738 1.00 0.00 H new ATOM 0 HA VAL A 50 50.386 84.954 -36.180 1.00 0.00 H new ATOM 0 HB VAL A 50 48.284 83.850 -35.954 1.00 0.00 H new ATOM 0 HG11 VAL A 50 48.212 82.360 -37.939 1.00 0.00 H new ATOM 0 HG12 VAL A 50 49.214 83.798 -38.247 1.00 0.00 H new ATOM 0 HG13 VAL A 50 49.986 82.233 -37.899 1.00 0.00 H new ATOM 0 HG21 VAL A 50 48.070 81.396 -35.686 1.00 0.00 H new ATOM 0 HG22 VAL A 50 49.843 81.250 -35.638 1.00 0.00 H new ATOM 0 HG23 VAL A 50 48.986 82.116 -34.341 1.00 0.00 H new ATOM 787 N THR A 51 49.534 83.976 -33.551 1.00 0.00 N ATOM 788 CA THR A 51 49.654 83.962 -32.072 1.00 0.00 C ATOM 789 C THR A 51 48.709 82.897 -31.507 1.00 0.00 C ATOM 790 O THR A 51 47.509 83.016 -31.621 1.00 0.00 O ATOM 791 CB THR A 51 49.316 85.344 -31.485 1.00 0.00 C ATOM 792 OG1 THR A 51 50.160 86.342 -32.057 1.00 0.00 O ATOM 793 CG2 THR A 51 49.527 85.325 -29.972 1.00 0.00 C ATOM 0 H THR A 51 48.580 84.014 -33.910 1.00 0.00 H new ATOM 0 HA THR A 51 50.681 83.724 -31.796 1.00 0.00 H new ATOM 0 HB THR A 51 48.275 85.575 -31.713 1.00 0.00 H new ATOM 0 HG1 THR A 51 49.979 87.206 -31.632 1.00 0.00 H new ATOM 0 HG21 THR A 51 49.287 86.305 -29.559 1.00 0.00 H new ATOM 0 HG22 THR A 51 48.878 84.573 -29.524 1.00 0.00 H new ATOM 0 HG23 THR A 51 50.567 85.084 -29.753 1.00 0.00 H new ATOM 801 N ILE A 52 49.249 81.860 -30.901 1.00 0.00 N ATOM 802 CA ILE A 52 48.384 80.767 -30.321 1.00 0.00 C ATOM 803 C ILE A 52 48.210 80.994 -28.814 1.00 0.00 C ATOM 804 O ILE A 52 49.177 81.203 -28.095 1.00 0.00 O ATOM 805 CB ILE A 52 49.038 79.396 -30.561 1.00 0.00 C ATOM 806 CG1 ILE A 52 49.396 79.244 -32.044 1.00 0.00 C ATOM 807 CG2 ILE A 52 48.068 78.279 -30.161 1.00 0.00 C ATOM 808 CD1 ILE A 52 48.153 79.451 -32.905 1.00 0.00 C ATOM 0 H ILE A 52 50.252 81.721 -30.781 1.00 0.00 H new ATOM 0 HA ILE A 52 47.409 80.789 -30.808 1.00 0.00 H new ATOM 0 HB ILE A 52 49.943 79.326 -29.957 1.00 0.00 H new ATOM 0 HG12 ILE A 52 50.163 79.969 -32.318 1.00 0.00 H new ATOM 0 HG13 ILE A 52 49.814 78.254 -32.226 1.00 0.00 H new ATOM 0 HG21 ILE A 52 48.537 77.310 -30.333 1.00 0.00 H new ATOM 0 HG22 ILE A 52 47.816 78.377 -29.105 1.00 0.00 H new ATOM 0 HG23 ILE A 52 47.160 78.354 -30.759 1.00 0.00 H new ATOM 0 HD11 ILE A 52 48.417 79.341 -33.957 1.00 0.00 H new ATOM 0 HD12 ILE A 52 47.399 78.709 -32.640 1.00 0.00 H new ATOM 0 HD13 ILE A 52 47.754 80.451 -32.733 1.00 0.00 H new ATOM 820 N LYS A 53 46.985 80.978 -28.325 1.00 0.00 N ATOM 821 CA LYS A 53 46.773 81.233 -26.865 1.00 0.00 C ATOM 822 C LYS A 53 45.408 80.750 -26.353 1.00 0.00 C ATOM 823 O LYS A 53 44.560 80.300 -27.103 1.00 0.00 O ATOM 824 CB LYS A 53 46.841 82.738 -26.636 1.00 0.00 C ATOM 825 CG LYS A 53 45.967 83.467 -27.656 1.00 0.00 C ATOM 826 CD LYS A 53 45.481 84.779 -27.040 1.00 0.00 C ATOM 827 CE LYS A 53 45.407 85.867 -28.109 1.00 0.00 C ATOM 828 NZ LYS A 53 44.871 87.108 -27.481 1.00 0.00 N ATOM 0 H LYS A 53 46.139 80.802 -28.867 1.00 0.00 H new ATOM 0 HA LYS A 53 47.543 80.682 -26.326 1.00 0.00 H new ATOM 0 HB2 LYS A 53 46.508 82.975 -25.626 1.00 0.00 H new ATOM 0 HB3 LYS A 53 47.873 83.080 -26.720 1.00 0.00 H new ATOM 0 HG2 LYS A 53 46.534 83.664 -28.566 1.00 0.00 H new ATOM 0 HG3 LYS A 53 45.118 82.845 -27.938 1.00 0.00 H new ATOM 0 HD2 LYS A 53 44.500 84.636 -26.588 1.00 0.00 H new ATOM 0 HD3 LYS A 53 46.157 85.088 -26.243 1.00 0.00 H new ATOM 0 HE2 LYS A 53 46.395 86.052 -28.531 1.00 0.00 H new ATOM 0 HE3 LYS A 53 44.764 85.549 -28.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 45.077 87.924 -28.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 43.842 87.019 -27.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 45.319 87.249 -26.553 1.00 0.00 H new ATOM 842 N THR A 54 45.202 80.906 -25.053 1.00 0.00 N ATOM 843 CA THR A 54 43.906 80.538 -24.382 1.00 0.00 C ATOM 844 C THR A 54 43.668 79.022 -24.371 1.00 0.00 C ATOM 845 O THR A 54 44.273 78.266 -25.112 1.00 0.00 O ATOM 846 CB THR A 54 42.721 81.253 -25.062 1.00 0.00 C ATOM 847 OG1 THR A 54 42.350 80.572 -26.256 1.00 0.00 O ATOM 848 CG2 THR A 54 43.113 82.692 -25.393 1.00 0.00 C ATOM 0 H THR A 54 45.903 81.285 -24.416 1.00 0.00 H new ATOM 0 HA THR A 54 43.980 80.868 -23.346 1.00 0.00 H new ATOM 0 HB THR A 54 41.871 81.253 -24.379 1.00 0.00 H new ATOM 0 HG1 THR A 54 43.128 80.501 -26.847 1.00 0.00 H new ATOM 0 HG21 THR A 54 42.275 83.196 -25.874 1.00 0.00 H new ATOM 0 HG22 THR A 54 43.375 83.218 -24.475 1.00 0.00 H new ATOM 0 HG23 THR A 54 43.970 82.690 -26.067 1.00 0.00 H new ATOM 856 N ASN A 55 42.772 78.588 -23.511 1.00 0.00 N ATOM 857 CA ASN A 55 42.437 77.136 -23.392 1.00 0.00 C ATOM 858 C ASN A 55 43.696 76.314 -23.063 1.00 0.00 C ATOM 859 O ASN A 55 44.015 75.358 -23.742 1.00 0.00 O ATOM 860 CB ASN A 55 41.803 76.650 -24.703 1.00 0.00 C ATOM 861 CG ASN A 55 41.049 75.338 -24.461 1.00 0.00 C ATOM 862 OD1 ASN A 55 41.452 74.299 -24.935 1.00 0.00 O ATOM 863 ND2 ASN A 55 39.965 75.337 -23.740 1.00 0.00 N ATOM 0 H ASN A 55 42.251 79.194 -22.877 1.00 0.00 H new ATOM 0 HA ASN A 55 41.725 76.999 -22.578 1.00 0.00 H new ATOM 0 HB2 ASN A 55 41.120 77.406 -25.089 1.00 0.00 H new ATOM 0 HB3 ASN A 55 42.575 76.502 -25.458 1.00 0.00 H new ATOM 0 HD21 ASN A 55 39.461 74.465 -23.578 1.00 0.00 H new ATOM 0 HD22 ASN A 55 39.619 76.208 -23.337 1.00 0.00 H new ATOM 870 N ALA A 56 44.408 76.682 -22.019 1.00 0.00 N ATOM 871 CA ALA A 56 45.642 75.921 -21.613 1.00 0.00 C ATOM 872 C ALA A 56 46.814 76.223 -22.556 1.00 0.00 C ATOM 873 O ALA A 56 47.873 76.631 -22.119 1.00 0.00 O ATOM 874 CB ALA A 56 45.347 74.415 -21.645 1.00 0.00 C ATOM 0 H ALA A 56 44.187 77.482 -21.426 1.00 0.00 H new ATOM 0 HA ALA A 56 45.918 76.231 -20.605 1.00 0.00 H new ATOM 0 HB1 ALA A 56 46.240 73.863 -21.351 1.00 0.00 H new ATOM 0 HB2 ALA A 56 44.536 74.188 -20.953 1.00 0.00 H new ATOM 0 HB3 ALA A 56 45.055 74.123 -22.654 1.00 0.00 H new ATOM 880 N CYS A 57 46.635 76.000 -23.838 1.00 0.00 N ATOM 881 CA CYS A 57 47.736 76.241 -24.832 1.00 0.00 C ATOM 882 C CYS A 57 48.844 75.181 -24.645 1.00 0.00 C ATOM 883 O CYS A 57 49.993 75.392 -24.987 1.00 0.00 O ATOM 884 CB CYS A 57 48.292 77.658 -24.637 1.00 0.00 C ATOM 885 SG CYS A 57 49.633 77.974 -25.809 1.00 0.00 S ATOM 0 H CYS A 57 45.764 75.658 -24.244 1.00 0.00 H new ATOM 0 HA CYS A 57 47.349 76.155 -25.847 1.00 0.00 H new ATOM 0 HB2 CYS A 57 47.497 78.390 -24.778 1.00 0.00 H new ATOM 0 HB3 CYS A 57 48.657 77.776 -23.617 1.00 0.00 H new ATOM 890 N HIS A 58 48.490 74.028 -24.118 1.00 0.00 N ATOM 891 CA HIS A 58 49.488 72.930 -23.913 1.00 0.00 C ATOM 892 C HIS A 58 48.748 71.585 -23.902 1.00 0.00 C ATOM 893 O HIS A 58 47.908 71.350 -23.054 1.00 0.00 O ATOM 894 CB HIS A 58 50.204 73.133 -22.571 1.00 0.00 C ATOM 895 CG HIS A 58 51.638 73.524 -22.807 1.00 0.00 C ATOM 896 ND1 HIS A 58 52.673 72.606 -22.742 1.00 0.00 N ATOM 897 CD2 HIS A 58 52.225 74.729 -23.098 1.00 0.00 C ATOM 898 CE1 HIS A 58 53.819 73.268 -22.986 1.00 0.00 C ATOM 899 NE2 HIS A 58 53.602 74.567 -23.210 1.00 0.00 N ATOM 0 H HIS A 58 47.541 73.802 -23.819 1.00 0.00 H new ATOM 0 HA HIS A 58 50.224 72.942 -24.717 1.00 0.00 H new ATOM 0 HB2 HIS A 58 49.698 73.906 -21.993 1.00 0.00 H new ATOM 0 HB3 HIS A 58 50.160 72.216 -21.984 1.00 0.00 H new ATOM 0 HD2 HIS A 58 51.697 75.663 -23.222 1.00 0.00 H new ATOM 0 HE1 HIS A 58 54.795 72.806 -22.999 1.00 0.00 H new ATOM 0 HE2 HIS A 58 54.296 75.285 -23.418 1.00 0.00 H new ATOM 907 N ASN A 59 49.036 70.712 -24.850 1.00 0.00 N ATOM 908 CA ASN A 59 48.328 69.389 -24.913 1.00 0.00 C ATOM 909 C ASN A 59 46.814 69.649 -25.028 1.00 0.00 C ATOM 910 O ASN A 59 46.090 69.638 -24.047 1.00 0.00 O ATOM 911 CB ASN A 59 48.639 68.573 -23.651 1.00 0.00 C ATOM 912 CG ASN A 59 48.161 67.134 -23.842 1.00 0.00 C ATOM 913 OD1 ASN A 59 48.643 66.431 -24.703 1.00 0.00 O ATOM 914 ND2 ASN A 59 47.223 66.665 -23.075 1.00 0.00 N ATOM 0 H ASN A 59 49.731 70.862 -25.581 1.00 0.00 H new ATOM 0 HA ASN A 59 48.667 68.821 -25.779 1.00 0.00 H new ATOM 0 HB2 ASN A 59 49.710 68.588 -23.451 1.00 0.00 H new ATOM 0 HB3 ASN A 59 48.147 69.019 -22.787 1.00 0.00 H new ATOM 0 HD21 ASN A 59 46.894 65.707 -23.199 1.00 0.00 H new ATOM 0 HD22 ASN A 59 46.815 67.254 -22.349 1.00 0.00 H new ATOM 921 N GLY A 60 46.342 69.922 -26.223 1.00 0.00 N ATOM 922 CA GLY A 60 44.892 70.236 -26.412 1.00 0.00 C ATOM 923 C GLY A 60 44.661 71.653 -25.884 1.00 0.00 C ATOM 924 O GLY A 60 44.019 71.847 -24.871 1.00 0.00 O ATOM 0 H GLY A 60 46.901 69.940 -27.076 1.00 0.00 H new ATOM 0 HA2 GLY A 60 44.618 70.169 -27.465 1.00 0.00 H new ATOM 0 HA3 GLY A 60 44.270 69.520 -25.875 1.00 0.00 H new ATOM 928 N GLY A 61 45.220 72.639 -26.548 1.00 0.00 N ATOM 929 CA GLY A 61 45.080 74.052 -26.069 1.00 0.00 C ATOM 930 C GLY A 61 44.779 75.003 -27.232 1.00 0.00 C ATOM 931 O GLY A 61 44.587 74.582 -28.357 1.00 0.00 O ATOM 0 H GLY A 61 45.767 72.525 -27.401 1.00 0.00 H new ATOM 0 HA2 GLY A 61 44.280 74.111 -25.331 1.00 0.00 H new ATOM 0 HA3 GLY A 61 45.998 74.362 -25.570 1.00 0.00 H new ATOM 935 N GLY A 62 44.741 76.292 -26.961 1.00 0.00 N ATOM 936 CA GLY A 62 44.452 77.292 -28.040 1.00 0.00 C ATOM 937 C GLY A 62 43.020 77.089 -28.537 1.00 0.00 C ATOM 938 O GLY A 62 42.772 76.289 -29.418 1.00 0.00 O ATOM 0 H GLY A 62 44.898 76.692 -26.036 1.00 0.00 H new ATOM 0 HA2 GLY A 62 44.578 78.305 -27.658 1.00 0.00 H new ATOM 0 HA3 GLY A 62 45.157 77.172 -28.863 1.00 0.00 H new ATOM 942 N PHE A 63 42.069 77.785 -27.963 1.00 0.00 N ATOM 943 CA PHE A 63 40.651 77.593 -28.393 1.00 0.00 C ATOM 944 C PHE A 63 40.215 78.679 -29.393 1.00 0.00 C ATOM 945 O PHE A 63 40.203 78.444 -30.586 1.00 0.00 O ATOM 946 CB PHE A 63 39.736 77.606 -27.159 1.00 0.00 C ATOM 947 CG PHE A 63 38.301 77.376 -27.579 1.00 0.00 C ATOM 948 CD1 PHE A 63 37.947 76.202 -28.256 1.00 0.00 C ATOM 949 CD2 PHE A 63 37.325 78.338 -27.292 1.00 0.00 C ATOM 950 CE1 PHE A 63 36.619 75.990 -28.645 1.00 0.00 C ATOM 951 CE2 PHE A 63 35.997 78.126 -27.681 1.00 0.00 C ATOM 952 CZ PHE A 63 35.644 76.952 -28.357 1.00 0.00 C ATOM 0 H PHE A 63 42.212 78.471 -27.222 1.00 0.00 H new ATOM 0 HA PHE A 63 40.571 76.630 -28.897 1.00 0.00 H new ATOM 0 HB2 PHE A 63 40.047 76.832 -26.457 1.00 0.00 H new ATOM 0 HB3 PHE A 63 39.824 78.561 -26.641 1.00 0.00 H new ATOM 0 HD1 PHE A 63 38.699 75.460 -28.478 1.00 0.00 H new ATOM 0 HD2 PHE A 63 37.597 79.244 -26.770 1.00 0.00 H new ATOM 0 HE1 PHE A 63 36.347 75.085 -29.167 1.00 0.00 H new ATOM 0 HE2 PHE A 63 35.245 78.868 -27.460 1.00 0.00 H new ATOM 0 HZ PHE A 63 34.619 76.789 -28.656 1.00 0.00 H new ATOM 962 N SER A 64 39.821 79.849 -28.927 1.00 0.00 N ATOM 963 CA SER A 64 39.343 80.900 -29.883 1.00 0.00 C ATOM 964 C SER A 64 40.132 82.210 -29.779 1.00 0.00 C ATOM 965 O SER A 64 39.563 83.277 -29.899 1.00 0.00 O ATOM 966 CB SER A 64 37.854 81.171 -29.626 1.00 0.00 C ATOM 967 OG SER A 64 37.246 81.663 -30.824 1.00 0.00 O ATOM 0 H SER A 64 39.811 80.115 -27.942 1.00 0.00 H new ATOM 0 HA SER A 64 39.501 80.519 -30.892 1.00 0.00 H new ATOM 0 HB2 SER A 64 37.357 80.256 -29.302 1.00 0.00 H new ATOM 0 HB3 SER A 64 37.739 81.898 -28.822 1.00 0.00 H new ATOM 0 HG SER A 64 37.720 82.466 -31.125 1.00 0.00 H new ATOM 973 N GLU A 65 41.431 82.162 -29.597 1.00 0.00 N ATOM 974 CA GLU A 65 42.204 83.433 -29.544 1.00 0.00 C ATOM 975 C GLU A 65 43.514 83.244 -30.310 1.00 0.00 C ATOM 976 O GLU A 65 44.445 82.620 -29.832 1.00 0.00 O ATOM 977 CB GLU A 65 42.469 83.807 -28.094 1.00 0.00 C ATOM 978 CG GLU A 65 41.249 84.557 -27.540 1.00 0.00 C ATOM 979 CD GLU A 65 41.508 86.070 -27.542 1.00 0.00 C ATOM 980 OE1 GLU A 65 42.523 86.489 -26.999 1.00 0.00 O ATOM 981 OE2 GLU A 65 40.687 86.786 -28.087 1.00 0.00 O ATOM 0 H GLU A 65 41.978 81.309 -29.485 1.00 0.00 H new ATOM 0 HA GLU A 65 41.638 84.242 -30.005 1.00 0.00 H new ATOM 0 HB2 GLU A 65 42.660 82.911 -27.503 1.00 0.00 H new ATOM 0 HB3 GLU A 65 43.359 84.432 -28.023 1.00 0.00 H new ATOM 0 HG2 GLU A 65 40.370 84.331 -28.143 1.00 0.00 H new ATOM 0 HG3 GLU A 65 41.035 84.219 -26.526 1.00 0.00 H new ATOM 988 N VAL A 66 43.582 83.763 -31.511 1.00 0.00 N ATOM 989 CA VAL A 66 44.827 83.606 -32.328 1.00 0.00 C ATOM 990 C VAL A 66 45.052 84.863 -33.175 1.00 0.00 C ATOM 991 O VAL A 66 44.139 85.377 -33.791 1.00 0.00 O ATOM 992 CB VAL A 66 44.710 82.368 -33.239 1.00 0.00 C ATOM 993 CG1 VAL A 66 45.864 82.344 -34.245 1.00 0.00 C ATOM 994 CG2 VAL A 66 44.768 81.092 -32.393 1.00 0.00 C ATOM 0 H VAL A 66 42.832 84.287 -31.961 1.00 0.00 H new ATOM 0 HA VAL A 66 45.677 83.470 -31.659 1.00 0.00 H new ATOM 0 HB VAL A 66 43.760 82.418 -33.771 1.00 0.00 H new ATOM 0 HG11 VAL A 66 45.772 81.465 -34.884 1.00 0.00 H new ATOM 0 HG12 VAL A 66 45.830 83.244 -34.859 1.00 0.00 H new ATOM 0 HG13 VAL A 66 46.813 82.305 -33.710 1.00 0.00 H new ATOM 0 HG21 VAL A 66 44.685 80.221 -33.043 1.00 0.00 H new ATOM 0 HG22 VAL A 66 45.715 81.055 -31.855 1.00 0.00 H new ATOM 0 HG23 VAL A 66 43.945 81.092 -31.678 1.00 0.00 H new ATOM 1004 N ILE A 67 46.265 85.357 -33.212 1.00 0.00 N ATOM 1005 CA ILE A 67 46.548 86.590 -34.025 1.00 0.00 C ATOM 1006 C ILE A 67 47.250 86.215 -35.327 1.00 0.00 C ATOM 1007 O ILE A 67 48.294 85.610 -35.318 1.00 0.00 O ATOM 1008 CB ILE A 67 47.409 87.564 -33.231 1.00 0.00 C ATOM 1009 CG1 ILE A 67 46.553 88.177 -32.141 1.00 0.00 C ATOM 1010 CG2 ILE A 67 47.901 88.679 -34.152 1.00 0.00 C ATOM 1011 CD1 ILE A 67 47.234 87.992 -30.786 1.00 0.00 C ATOM 0 H ILE A 67 47.069 84.966 -32.720 1.00 0.00 H new ATOM 0 HA ILE A 67 45.600 87.073 -34.261 1.00 0.00 H new ATOM 0 HB ILE A 67 48.264 87.040 -32.803 1.00 0.00 H new ATOM 0 HG12 ILE A 67 46.399 89.238 -32.340 1.00 0.00 H new ATOM 0 HG13 ILE A 67 45.569 87.708 -32.131 1.00 0.00 H new ATOM 0 HG21 ILE A 67 48.517 89.376 -33.583 1.00 0.00 H new ATOM 0 HG22 ILE A 67 48.492 88.249 -34.961 1.00 0.00 H new ATOM 0 HG23 ILE A 67 47.046 89.209 -34.570 1.00 0.00 H new ATOM 0 HD11 ILE A 67 46.616 88.434 -30.005 1.00 0.00 H new ATOM 0 HD12 ILE A 67 47.365 86.928 -30.587 1.00 0.00 H new ATOM 0 HD13 ILE A 67 48.208 88.481 -30.798 1.00 0.00 H new ATOM 1023 N PHE A 68 46.665 86.564 -36.444 1.00 0.00 N ATOM 1024 CA PHE A 68 47.265 86.203 -37.772 1.00 0.00 C ATOM 1025 C PHE A 68 48.555 86.970 -38.054 1.00 0.00 C ATOM 1026 O PHE A 68 48.697 88.133 -37.681 1.00 0.00 O ATOM 1027 CB PHE A 68 46.272 86.493 -38.903 1.00 0.00 C ATOM 1028 CG PHE A 68 44.907 85.962 -38.545 1.00 0.00 C ATOM 1029 CD1 PHE A 68 44.770 84.967 -37.570 1.00 0.00 C ATOM 1030 CD2 PHE A 68 43.780 86.478 -39.178 1.00 0.00 C ATOM 1031 CE1 PHE A 68 43.509 84.492 -37.229 1.00 0.00 C ATOM 1032 CE2 PHE A 68 42.513 86.004 -38.841 1.00 0.00 C ATOM 1033 CZ PHE A 68 42.372 85.009 -37.866 1.00 0.00 C ATOM 0 H PHE A 68 45.791 87.087 -36.497 1.00 0.00 H new ATOM 0 HA PHE A 68 47.497 85.139 -37.729 1.00 0.00 H new ATOM 0 HB2 PHE A 68 46.217 87.567 -39.082 1.00 0.00 H new ATOM 0 HB3 PHE A 68 46.618 86.032 -39.828 1.00 0.00 H new ATOM 0 HD1 PHE A 68 45.646 84.567 -37.081 1.00 0.00 H new ATOM 0 HD2 PHE A 68 43.887 87.246 -39.930 1.00 0.00 H new ATOM 0 HE1 PHE A 68 43.405 83.726 -36.475 1.00 0.00 H new ATOM 0 HE2 PHE A 68 41.639 86.405 -39.333 1.00 0.00 H new ATOM 0 HZ PHE A 68 41.391 84.641 -37.605 1.00 0.00 H new ATOM 1043 N ARG A 69 49.456 86.285 -38.752 1.00 0.00 N ATOM 1044 CA ARG A 69 50.793 86.829 -39.187 1.00 0.00 C ATOM 1045 C ARG A 69 51.806 85.657 -39.351 1.00 0.00 C ATOM 1046 O ARG A 69 51.425 84.507 -39.147 1.00 0.00 O ATOM 1047 CB ARG A 69 51.339 87.853 -38.178 1.00 0.00 C ATOM 1048 CG ARG A 69 51.146 89.290 -38.710 1.00 0.00 C ATOM 1049 CD ARG A 69 51.411 89.377 -40.226 1.00 0.00 C ATOM 1050 NE ARG A 69 52.643 88.623 -40.590 1.00 0.00 N ATOM 1051 CZ ARG A 69 53.783 88.936 -40.073 1.00 0.00 C ATOM 1052 NH1 ARG A 69 54.215 90.160 -40.128 1.00 0.00 N ATOM 1053 NH2 ARG A 69 54.479 88.017 -39.490 1.00 0.00 N ATOM 1054 OXT ARG A 69 52.947 85.923 -39.700 1.00 0.00 O ATOM 0 H ARG A 69 49.302 85.321 -39.049 1.00 0.00 H new ATOM 0 HA ARG A 69 50.658 87.338 -40.142 1.00 0.00 H new ATOM 0 HB2 ARG A 69 50.826 87.740 -37.223 1.00 0.00 H new ATOM 0 HB3 ARG A 69 52.397 87.665 -37.996 1.00 0.00 H new ATOM 0 HG2 ARG A 69 50.130 89.623 -38.498 1.00 0.00 H new ATOM 0 HG3 ARG A 69 51.819 89.966 -38.183 1.00 0.00 H new ATOM 0 HD2 ARG A 69 50.558 88.975 -40.773 1.00 0.00 H new ATOM 0 HD3 ARG A 69 51.517 90.421 -40.522 1.00 0.00 H new ATOM 0 HE ARG A 69 52.585 87.851 -41.255 1.00 0.00 H new ATOM 0 HH11 ARG A 69 53.652 90.880 -40.582 1.00 0.00 H new ATOM 0 HH12 ARG A 69 55.117 90.401 -39.717 1.00 0.00 H new ATOM 0 HH21 ARG A 69 54.125 87.061 -39.444 1.00 0.00 H new ATOM 0 HH22 ARG A 69 55.382 88.247 -39.076 1.00 0.00 H new TER 1068 ARG A 69