USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 683 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 38 HIS : no HE2:sc= -0.993 K(o=-0.042,f=-4.1!) USER MOD Set 1.2: A 39 ASN : amide:sc= 0.951 K(o=-0.042,f=-5!) USER MOD Single : A 1 GLY N :NH3+ -112:sc= 1.14 (180deg=-0.33) USER MOD Single : A 2 HIS : no HD1:sc=-0.00954 X(o=-0.0095,f=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -176:sc= -0.541 (180deg=-0.581) USER MOD Single : A 5 MET CE :methyl -134:sc= 0 (180deg=-0.331) USER MOD Single : A 6 SER OG : rot 111:sc= 1.26 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 180:sc= -0.204 USER MOD Single : A 11 THR OG1 : rot 81:sc= 0.96 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0103 USER MOD Single : A 17 SER OG : rot -39:sc= 0.0314 USER MOD Single : A 20 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.029) USER MOD Single : A 21 GLN : amide:sc= -0.0405 X(o=-0.04,f=-0.24) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -61:sc= 0.05 USER MOD Single : A 28 SER OG : rot 180:sc= 0.281 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.171 X(o=-0.17,f=0) USER MOD Single : A 34 CYS SG : rot -170:sc= -0.296 USER MOD Single : A 36 GLN : amide:sc= 0.846 K(o=0.85,f=-1.4!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -110:sc= -0.168 USER MOD Single : A 63 SER OG : rot 91:sc= 0.125 USER MOD Single : A 64 MET CE :methyl -161:sc=-0.00318 (180deg=-0.24) USER MOD Single : A 65 GLN : amide:sc= -0.93 K(o=-0.93,f=-3.8!) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 74 CYS SG : rot 180:sc= -0.842 USER MOD Single : A 77 MET CE :methyl 165:sc= -0.0622 (180deg=-0.523) USER MOD Single : A 80 ASN : amide:sc= 0.68 K(o=0.68,f=-0.24) USER MOD Single : A 83 THR OG1 : rot 5:sc= 0.482 USER MOD Single : A 85 GLN : amide:sc= -4.03! C(o=-4!,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.486 -4.326 7.303 1.00 0.00 N ATOM 2 CA GLY A 1 -13.703 -3.751 7.887 1.00 0.00 C ATOM 3 C GLY A 1 -14.831 -4.759 7.868 1.00 0.00 C ATOM 4 O GLY A 1 -14.800 -5.735 8.614 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.767 -4.445 8.045 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.706 -5.252 6.883 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.120 -3.690 6.566 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.507 -3.436 8.912 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.994 -2.861 7.330 1.00 0.00 H new ATOM 8 N HIS A 2 -15.829 -4.544 7.009 1.00 0.00 N ATOM 9 CA HIS A 2 -16.817 -5.544 6.615 1.00 0.00 C ATOM 10 C HIS A 2 -17.051 -5.438 5.112 1.00 0.00 C ATOM 11 O HIS A 2 -16.981 -6.458 4.434 1.00 0.00 O ATOM 12 CB HIS A 2 -18.150 -5.392 7.374 1.00 0.00 C ATOM 13 CG HIS A 2 -18.140 -5.905 8.795 1.00 0.00 C ATOM 14 ND1 HIS A 2 -18.441 -5.167 9.926 1.00 0.00 N ATOM 15 CD2 HIS A 2 -17.927 -7.204 9.177 1.00 0.00 C ATOM 16 CE1 HIS A 2 -18.402 -6.009 10.975 1.00 0.00 C ATOM 17 NE2 HIS A 2 -18.090 -7.250 10.550 1.00 0.00 N ATOM 0 H HIS A 2 -15.974 -3.642 6.556 1.00 0.00 H new ATOM 0 HA HIS A 2 -16.423 -6.527 6.873 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -18.425 -4.337 7.387 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -18.928 -5.917 6.820 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -17.679 -8.033 8.530 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -18.592 -5.733 12.002 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -17.991 -8.078 11.138 1.00 0.00 H new ATOM 26 N SER A 3 -17.367 -4.237 4.622 1.00 0.00 N ATOM 27 CA SER A 3 -18.010 -4.033 3.326 1.00 0.00 C ATOM 28 C SER A 3 -17.928 -2.566 2.848 1.00 0.00 C ATOM 29 O SER A 3 -18.710 -2.133 1.990 1.00 0.00 O ATOM 30 CB SER A 3 -19.458 -4.548 3.452 1.00 0.00 C ATOM 31 OG SER A 3 -20.016 -4.340 4.743 1.00 0.00 O ATOM 0 H SER A 3 -17.180 -3.368 5.123 1.00 0.00 H new ATOM 0 HA SER A 3 -17.486 -4.592 2.551 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.080 -4.048 2.710 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.479 -5.613 3.221 1.00 0.00 H new ATOM 0 HG SER A 3 -20.933 -4.684 4.762 1.00 0.00 H new ATOM 37 N LYS A 4 -17.025 -1.762 3.428 1.00 0.00 N ATOM 38 CA LYS A 4 -16.830 -0.354 3.062 1.00 0.00 C ATOM 39 C LYS A 4 -16.048 -0.289 1.741 1.00 0.00 C ATOM 40 O LYS A 4 -15.283 -1.210 1.457 1.00 0.00 O ATOM 41 CB LYS A 4 -16.168 0.382 4.253 1.00 0.00 C ATOM 42 CG LYS A 4 -14.642 0.317 4.356 1.00 0.00 C ATOM 43 CD LYS A 4 -14.009 1.516 3.647 1.00 0.00 C ATOM 44 CE LYS A 4 -13.479 2.589 4.599 1.00 0.00 C ATOM 45 NZ LYS A 4 -14.562 3.284 5.342 1.00 0.00 N ATOM 0 H LYS A 4 -16.403 -2.076 4.173 1.00 0.00 H new ATOM 0 HA LYS A 4 -17.771 0.163 2.876 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.459 1.431 4.205 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.586 -0.023 5.175 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -14.342 0.306 5.404 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -14.280 -0.610 3.911 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -13.190 1.164 3.020 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -14.748 1.965 2.984 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.793 2.130 5.311 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.906 3.322 4.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -14.153 4.045 5.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -15.241 3.689 4.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -15.051 2.605 5.959 1.00 0.00 H new ATOM 59 N MET A 5 -16.151 0.805 0.976 1.00 0.00 N ATOM 60 CA MET A 5 -15.431 1.026 -0.292 1.00 0.00 C ATOM 61 C MET A 5 -15.584 -0.177 -1.248 1.00 0.00 C ATOM 62 O MET A 5 -14.592 -0.737 -1.730 1.00 0.00 O ATOM 63 CB MET A 5 -13.966 1.448 -0.008 1.00 0.00 C ATOM 64 CG MET A 5 -13.410 2.499 -0.972 1.00 0.00 C ATOM 65 SD MET A 5 -12.406 1.824 -2.310 1.00 0.00 S ATOM 66 CE MET A 5 -12.062 3.339 -3.226 1.00 0.00 C ATOM 0 H MET A 5 -16.756 1.587 1.227 1.00 0.00 H new ATOM 0 HA MET A 5 -15.884 1.859 -0.829 1.00 0.00 H new ATOM 0 HB2 MET A 5 -13.904 1.837 1.008 1.00 0.00 H new ATOM 0 HB3 MET A 5 -13.332 0.563 -0.050 1.00 0.00 H new ATOM 0 HG2 MET A 5 -14.242 3.055 -1.403 1.00 0.00 H new ATOM 0 HG3 MET A 5 -12.809 3.211 -0.407 1.00 0.00 H new ATOM 0 HE1 MET A 5 -12.223 3.165 -4.290 1.00 0.00 H new ATOM 0 HE2 MET A 5 -12.728 4.131 -2.883 1.00 0.00 H new ATOM 0 HE3 MET A 5 -11.027 3.638 -3.059 1.00 0.00 H new ATOM 76 N SER A 6 -16.826 -0.632 -1.445 1.00 0.00 N ATOM 77 CA SER A 6 -17.157 -1.914 -2.055 1.00 0.00 C ATOM 78 C SER A 6 -16.691 -1.988 -3.506 1.00 0.00 C ATOM 79 O SER A 6 -15.854 -2.821 -3.848 1.00 0.00 O ATOM 80 CB SER A 6 -18.661 -2.198 -1.929 1.00 0.00 C ATOM 81 OG SER A 6 -19.436 -1.091 -2.353 1.00 0.00 O ATOM 0 H SER A 6 -17.651 -0.097 -1.174 1.00 0.00 H new ATOM 0 HA SER A 6 -16.619 -2.692 -1.513 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.918 -3.073 -2.526 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.902 -2.436 -0.893 1.00 0.00 H new ATOM 0 HG SER A 6 -19.895 -1.314 -3.190 1.00 0.00 H new ATOM 87 N ASP A 7 -17.271 -1.162 -4.369 1.00 0.00 N ATOM 88 CA ASP A 7 -17.269 -1.284 -5.816 1.00 0.00 C ATOM 89 C ASP A 7 -17.250 0.121 -6.398 1.00 0.00 C ATOM 90 O ASP A 7 -18.204 0.889 -6.285 1.00 0.00 O ATOM 91 CB ASP A 7 -18.491 -2.068 -6.299 1.00 0.00 C ATOM 92 CG ASP A 7 -19.841 -1.383 -6.035 1.00 0.00 C ATOM 93 OD1 ASP A 7 -20.094 -0.930 -4.888 1.00 0.00 O ATOM 94 OD2 ASP A 7 -20.638 -1.316 -6.994 1.00 0.00 O ATOM 0 H ASP A 7 -17.786 -0.340 -4.054 1.00 0.00 H new ATOM 0 HA ASP A 7 -16.390 -1.837 -6.149 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -18.392 -2.244 -7.370 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -18.494 -3.044 -5.814 1.00 0.00 H new ATOM 99 N VAL A 8 -16.091 0.521 -6.899 1.00 0.00 N ATOM 100 CA VAL A 8 -15.727 1.923 -7.008 1.00 0.00 C ATOM 101 C VAL A 8 -14.788 2.148 -8.195 1.00 0.00 C ATOM 102 O VAL A 8 -14.174 3.204 -8.311 1.00 0.00 O ATOM 103 CB VAL A 8 -15.073 2.377 -5.684 1.00 0.00 C ATOM 104 CG1 VAL A 8 -15.370 3.859 -5.452 1.00 0.00 C ATOM 105 CG2 VAL A 8 -15.493 1.626 -4.411 1.00 0.00 C ATOM 0 H VAL A 8 -15.376 -0.120 -7.242 1.00 0.00 H new ATOM 0 HA VAL A 8 -16.622 2.520 -7.186 1.00 0.00 H new ATOM 0 HB VAL A 8 -14.016 2.156 -5.830 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -14.909 4.181 -4.518 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -14.965 4.445 -6.277 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -16.448 4.009 -5.395 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -14.963 2.040 -3.553 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -16.567 1.735 -4.262 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -15.247 0.569 -4.514 1.00 0.00 H new ATOM 115 N LYS A 9 -14.612 1.128 -9.042 1.00 0.00 N ATOM 116 CA LYS A 9 -13.874 1.120 -10.316 1.00 0.00 C ATOM 117 C LYS A 9 -12.358 1.170 -10.136 1.00 0.00 C ATOM 118 O LYS A 9 -11.610 0.706 -11.002 1.00 0.00 O ATOM 119 CB LYS A 9 -14.329 2.274 -11.222 1.00 0.00 C ATOM 120 CG LYS A 9 -15.840 2.237 -11.489 1.00 0.00 C ATOM 121 CD LYS A 9 -16.143 1.799 -12.922 1.00 0.00 C ATOM 122 CE LYS A 9 -17.527 1.169 -13.002 1.00 0.00 C ATOM 123 NZ LYS A 9 -18.627 2.114 -12.699 1.00 0.00 N ATOM 0 H LYS A 9 -15.013 0.212 -8.841 1.00 0.00 H new ATOM 0 HA LYS A 9 -14.109 0.167 -10.791 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -14.067 3.224 -10.757 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.793 2.224 -12.169 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -16.318 1.552 -10.789 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -16.267 3.224 -11.311 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -16.088 2.658 -13.591 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -15.391 1.085 -13.258 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -17.674 0.762 -14.002 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -17.577 0.331 -12.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -19.539 1.620 -12.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -18.510 2.485 -11.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -18.605 2.902 -13.378 1.00 0.00 H new ATOM 137 N CYS A 10 -11.901 1.750 -9.029 1.00 0.00 N ATOM 138 CA CYS A 10 -10.508 1.989 -8.712 1.00 0.00 C ATOM 139 C CYS A 10 -10.137 1.484 -7.313 1.00 0.00 C ATOM 140 O CYS A 10 -8.979 1.632 -6.915 1.00 0.00 O ATOM 141 CB CYS A 10 -10.220 3.487 -8.877 1.00 0.00 C ATOM 142 SG CYS A 10 -10.629 3.997 -10.570 1.00 0.00 S ATOM 0 H CYS A 10 -12.529 2.080 -8.296 1.00 0.00 H new ATOM 0 HA CYS A 10 -9.882 1.422 -9.401 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -10.806 4.062 -8.161 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -9.170 3.692 -8.667 1.00 0.00 H new ATOM 0 HG CYS A 10 -10.388 5.267 -10.711 1.00 0.00 H new ATOM 148 N THR A 11 -11.090 0.884 -6.587 1.00 0.00 N ATOM 149 CA THR A 11 -10.911 0.292 -5.265 1.00 0.00 C ATOM 150 C THR A 11 -9.674 -0.610 -5.279 1.00 0.00 C ATOM 151 O THR A 11 -8.706 -0.359 -4.545 1.00 0.00 O ATOM 152 CB THR A 11 -12.235 -0.368 -4.796 1.00 0.00 C ATOM 153 OG1 THR A 11 -12.096 -1.042 -3.567 1.00 0.00 O ATOM 154 CG2 THR A 11 -12.927 -1.331 -5.767 1.00 0.00 C ATOM 0 H THR A 11 -12.048 0.797 -6.925 1.00 0.00 H new ATOM 0 HA THR A 11 -10.703 1.046 -4.506 1.00 0.00 H new ATOM 0 HB THR A 11 -12.878 0.508 -4.715 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.145 -0.396 -2.832 1.00 0.00 H new ATOM 0 HG21 THR A 11 -13.838 -1.717 -5.310 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.178 -0.802 -6.686 1.00 0.00 H new ATOM 0 HG23 THR A 11 -12.257 -2.160 -5.997 1.00 0.00 H new ATOM 162 N SER A 12 -9.640 -1.570 -6.200 1.00 0.00 N ATOM 163 CA SER A 12 -8.550 -2.506 -6.336 1.00 0.00 C ATOM 164 C SER A 12 -7.691 -2.162 -7.556 1.00 0.00 C ATOM 165 O SER A 12 -7.067 -3.063 -8.109 1.00 0.00 O ATOM 166 CB SER A 12 -9.162 -3.916 -6.406 1.00 0.00 C ATOM 167 OG SER A 12 -10.203 -3.969 -7.366 1.00 0.00 O ATOM 0 H SER A 12 -10.387 -1.714 -6.880 1.00 0.00 H new ATOM 0 HA SER A 12 -7.874 -2.457 -5.482 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.389 -4.640 -6.662 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.550 -4.197 -5.427 1.00 0.00 H new ATOM 0 HG SER A 12 -10.576 -4.875 -7.394 1.00 0.00 H new ATOM 173 N VAL A 13 -7.457 -0.875 -7.865 1.00 0.00 N ATOM 174 CA VAL A 13 -6.447 -0.487 -8.864 1.00 0.00 C ATOM 175 C VAL A 13 -5.369 0.392 -8.247 1.00 0.00 C ATOM 176 O VAL A 13 -4.201 0.177 -8.548 1.00 0.00 O ATOM 177 CB VAL A 13 -7.030 0.108 -10.168 1.00 0.00 C ATOM 178 CG1 VAL A 13 -8.280 -0.651 -10.636 1.00 0.00 C ATOM 179 CG2 VAL A 13 -7.299 1.620 -10.118 1.00 0.00 C ATOM 0 H VAL A 13 -7.950 -0.090 -7.440 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.976 -1.416 -9.185 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.239 -0.028 -10.905 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.657 -0.200 -11.554 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.024 -1.694 -10.822 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.048 -0.598 -9.864 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.706 1.949 -11.074 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.015 1.836 -9.325 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.367 2.149 -9.919 1.00 0.00 H new ATOM 189 N VAL A 14 -5.719 1.340 -7.369 1.00 0.00 N ATOM 190 CA VAL A 14 -4.763 2.371 -6.966 1.00 0.00 C ATOM 191 C VAL A 14 -3.490 1.780 -6.363 1.00 0.00 C ATOM 192 O VAL A 14 -2.393 2.070 -6.829 1.00 0.00 O ATOM 193 CB VAL A 14 -5.380 3.527 -6.177 1.00 0.00 C ATOM 194 CG1 VAL A 14 -6.332 4.344 -7.059 1.00 0.00 C ATOM 195 CG2 VAL A 14 -6.124 2.981 -4.981 1.00 0.00 C ATOM 0 H VAL A 14 -6.638 1.413 -6.933 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.439 2.858 -7.886 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.580 4.186 -5.840 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -6.758 5.160 -6.476 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.782 4.753 -7.907 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.133 3.701 -7.422 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.564 3.805 -4.419 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.914 2.310 -5.319 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.432 2.433 -4.341 1.00 0.00 H new ATOM 205 N LEU A 15 -3.597 0.886 -5.377 1.00 0.00 N ATOM 206 CA LEU A 15 -2.399 0.323 -4.769 1.00 0.00 C ATOM 207 C LEU A 15 -1.749 -0.714 -5.687 1.00 0.00 C ATOM 208 O LEU A 15 -0.523 -0.858 -5.693 1.00 0.00 O ATOM 209 CB LEU A 15 -2.732 -0.242 -3.388 1.00 0.00 C ATOM 210 CG LEU A 15 -1.485 -0.703 -2.623 1.00 0.00 C ATOM 211 CD1 LEU A 15 -0.486 0.448 -2.426 1.00 0.00 C ATOM 212 CD2 LEU A 15 -1.842 -1.269 -1.252 1.00 0.00 C ATOM 0 H LEU A 15 -4.479 0.546 -4.993 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.662 1.114 -4.632 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.252 0.518 -2.804 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.417 -1.083 -3.499 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.028 -1.484 -3.231 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.385 0.085 -1.880 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.172 0.828 -3.398 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.961 1.249 -1.859 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.933 -1.585 -0.741 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.343 -0.502 -0.661 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.506 -2.125 -1.373 1.00 0.00 H new ATOM 224 N LEU A 16 -2.553 -1.401 -6.500 1.00 0.00 N ATOM 225 CA LEU A 16 -2.079 -2.243 -7.600 1.00 0.00 C ATOM 226 C LEU A 16 -1.343 -1.440 -8.684 1.00 0.00 C ATOM 227 O LEU A 16 -0.741 -2.049 -9.560 1.00 0.00 O ATOM 228 CB LEU A 16 -3.208 -3.072 -8.251 1.00 0.00 C ATOM 229 CG LEU A 16 -3.773 -4.290 -7.493 1.00 0.00 C ATOM 230 CD1 LEU A 16 -4.581 -5.169 -8.452 1.00 0.00 C ATOM 231 CD2 LEU A 16 -2.701 -5.174 -6.865 1.00 0.00 C ATOM 0 H LEU A 16 -3.569 -1.388 -6.411 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.372 -2.932 -7.139 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.039 -2.396 -8.453 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.843 -3.425 -9.216 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.387 -3.878 -6.693 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.978 -6.028 -7.911 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.405 -4.590 -8.869 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.936 -5.515 -9.259 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.174 -6.010 -6.349 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.041 -5.555 -7.644 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.120 -4.590 -6.151 1.00 0.00 H new ATOM 243 N SER A 17 -1.342 -0.111 -8.628 1.00 0.00 N ATOM 244 CA SER A 17 -0.632 0.761 -9.548 1.00 0.00 C ATOM 245 C SER A 17 0.385 1.658 -8.822 1.00 0.00 C ATOM 246 O SER A 17 1.030 2.470 -9.475 1.00 0.00 O ATOM 247 CB SER A 17 -1.674 1.516 -10.383 1.00 0.00 C ATOM 248 OG SER A 17 -1.119 2.017 -11.583 1.00 0.00 O ATOM 0 H SER A 17 -1.856 0.403 -7.913 1.00 0.00 H new ATOM 0 HA SER A 17 -0.013 0.181 -10.233 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.505 0.850 -10.616 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.081 2.341 -9.798 1.00 0.00 H new ATOM 0 HG SER A 17 -0.213 2.349 -11.411 1.00 0.00 H new ATOM 254 N VAL A 18 0.546 1.561 -7.493 1.00 0.00 N ATOM 255 CA VAL A 18 1.475 2.407 -6.722 1.00 0.00 C ATOM 256 C VAL A 18 2.571 1.591 -6.038 1.00 0.00 C ATOM 257 O VAL A 18 3.642 2.126 -5.762 1.00 0.00 O ATOM 258 CB VAL A 18 0.671 3.290 -5.729 1.00 0.00 C ATOM 259 CG1 VAL A 18 1.508 4.061 -4.691 1.00 0.00 C ATOM 260 CG2 VAL A 18 -0.144 4.340 -6.491 1.00 0.00 C ATOM 0 H VAL A 18 0.034 0.891 -6.919 1.00 0.00 H new ATOM 0 HA VAL A 18 2.002 3.067 -7.412 1.00 0.00 H new ATOM 0 HB VAL A 18 0.055 2.571 -5.190 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.846 4.644 -4.050 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.073 3.355 -4.082 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.198 4.731 -5.205 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.702 4.952 -5.782 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.529 4.975 -7.067 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.839 3.841 -7.166 1.00 0.00 H new ATOM 270 N LEU A 19 2.335 0.305 -5.762 1.00 0.00 N ATOM 271 CA LEU A 19 3.266 -0.498 -4.974 1.00 0.00 C ATOM 272 C LEU A 19 3.830 -1.612 -5.827 1.00 0.00 C ATOM 273 O LEU A 19 4.985 -1.554 -6.244 1.00 0.00 O ATOM 274 CB LEU A 19 2.581 -0.997 -3.693 1.00 0.00 C ATOM 275 CG LEU A 19 3.269 -0.533 -2.417 1.00 0.00 C ATOM 276 CD1 LEU A 19 4.630 -1.215 -2.279 1.00 0.00 C ATOM 277 CD2 LEU A 19 3.290 0.992 -2.342 1.00 0.00 C ATOM 0 H LEU A 19 1.506 -0.200 -6.074 1.00 0.00 H new ATOM 0 HA LEU A 19 4.111 0.111 -4.653 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.547 -0.652 -3.685 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.553 -2.087 -3.706 1.00 0.00 H new ATOM 0 HG LEU A 19 2.702 -0.844 -1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.115 -0.877 -1.363 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.493 -2.296 -2.240 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.254 -0.959 -3.136 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.786 1.304 -1.423 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.831 1.391 -3.200 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.268 1.371 -2.350 1.00 0.00 H new ATOM 289 N GLN A 20 2.992 -2.597 -6.153 1.00 0.00 N ATOM 290 CA GLN A 20 3.353 -3.634 -7.096 1.00 0.00 C ATOM 291 C GLN A 20 3.869 -3.128 -8.431 1.00 0.00 C ATOM 292 O GLN A 20 4.531 -3.876 -9.126 1.00 0.00 O ATOM 293 CB GLN A 20 2.179 -4.565 -7.335 1.00 0.00 C ATOM 294 CG GLN A 20 1.084 -4.076 -8.286 1.00 0.00 C ATOM 295 CD GLN A 20 1.004 -4.843 -9.612 1.00 0.00 C ATOM 296 OE1 GLN A 20 -0.075 -5.317 -9.971 1.00 0.00 O ATOM 297 NE2 GLN A 20 2.098 -4.979 -10.345 1.00 0.00 N ATOM 0 H GLN A 20 2.052 -2.691 -5.769 1.00 0.00 H new ATOM 0 HA GLN A 20 4.183 -4.164 -6.628 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.568 -5.507 -7.722 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.718 -4.782 -6.372 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.121 -4.149 -7.780 1.00 0.00 H new ATOM 0 HG3 GLN A 20 1.252 -3.021 -8.501 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.979 -4.577 -10.025 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.060 -5.486 -11.229 1.00 0.00 H new ATOM 306 N GLN A 21 3.542 -1.887 -8.776 1.00 0.00 N ATOM 307 CA GLN A 21 4.002 -1.194 -9.970 1.00 0.00 C ATOM 308 C GLN A 21 5.511 -1.405 -10.180 1.00 0.00 C ATOM 309 O GLN A 21 5.948 -1.494 -11.325 1.00 0.00 O ATOM 310 CB GLN A 21 3.645 0.305 -9.863 1.00 0.00 C ATOM 311 CG GLN A 21 3.807 1.060 -11.195 1.00 0.00 C ATOM 312 CD GLN A 21 3.577 2.572 -11.128 1.00 0.00 C ATOM 313 OE1 GLN A 21 3.881 3.240 -10.142 1.00 0.00 O ATOM 314 NE2 GLN A 21 3.099 3.166 -12.217 1.00 0.00 N ATOM 0 H GLN A 21 2.922 -1.313 -8.205 1.00 0.00 H new ATOM 0 HA GLN A 21 3.499 -1.608 -10.844 1.00 0.00 H new ATOM 0 HB2 GLN A 21 2.615 0.404 -9.519 1.00 0.00 H new ATOM 0 HB3 GLN A 21 4.279 0.771 -9.109 1.00 0.00 H new ATOM 0 HG2 GLN A 21 4.813 0.880 -11.575 1.00 0.00 H new ATOM 0 HG3 GLN A 21 3.112 0.636 -11.920 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.848 2.609 -13.033 1.00 0.00 H new ATOM 0 HE22 GLN A 21 2.984 4.179 -12.236 1.00 0.00 H new ATOM 323 N LEU A 22 6.285 -1.494 -9.082 1.00 0.00 N ATOM 324 CA LEU A 22 7.711 -1.820 -9.063 1.00 0.00 C ATOM 325 C LEU A 22 8.048 -2.758 -7.891 1.00 0.00 C ATOM 326 O LEU A 22 8.550 -3.861 -8.090 1.00 0.00 O ATOM 327 CB LEU A 22 8.550 -0.530 -8.991 1.00 0.00 C ATOM 328 CG LEU A 22 8.624 0.199 -10.352 1.00 0.00 C ATOM 329 CD1 LEU A 22 7.906 1.553 -10.311 1.00 0.00 C ATOM 330 CD2 LEU A 22 10.075 0.371 -10.792 1.00 0.00 C ATOM 0 H LEU A 22 5.911 -1.332 -8.147 1.00 0.00 H new ATOM 0 HA LEU A 22 7.956 -2.343 -9.987 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.120 0.139 -8.246 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.558 -0.773 -8.657 1.00 0.00 H new ATOM 0 HG LEU A 22 8.109 -0.422 -11.085 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.981 2.034 -11.286 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.856 1.401 -10.061 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.370 2.188 -9.557 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.105 0.886 -11.752 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.614 0.958 -10.048 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.544 -0.608 -10.891 1.00 0.00 H new ATOM 342 N ARG A 23 7.821 -2.314 -6.646 1.00 0.00 N ATOM 343 CA ARG A 23 8.460 -2.907 -5.452 1.00 0.00 C ATOM 344 C ARG A 23 7.993 -4.321 -5.141 1.00 0.00 C ATOM 345 O ARG A 23 8.708 -5.090 -4.499 1.00 0.00 O ATOM 346 CB ARG A 23 8.236 -2.051 -4.196 1.00 0.00 C ATOM 347 CG ARG A 23 8.603 -0.580 -4.420 1.00 0.00 C ATOM 348 CD ARG A 23 7.366 0.314 -4.507 1.00 0.00 C ATOM 349 NE ARG A 23 7.042 0.958 -3.221 1.00 0.00 N ATOM 350 CZ ARG A 23 6.746 2.250 -3.034 1.00 0.00 C ATOM 351 NH1 ARG A 23 6.839 3.123 -4.034 1.00 0.00 N ATOM 352 NH2 ARG A 23 6.326 2.669 -1.843 1.00 0.00 N ATOM 0 H ARG A 23 7.194 -1.538 -6.434 1.00 0.00 H new ATOM 0 HA ARG A 23 9.519 -2.941 -5.708 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.191 -2.120 -3.894 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.832 -2.451 -3.376 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.241 -0.238 -3.605 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.182 -0.487 -5.339 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.529 1.082 -5.263 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.514 -0.281 -4.836 1.00 0.00 H new ATOM 0 HE ARG A 23 7.044 0.361 -2.394 1.00 0.00 H new ATOM 0 HH11 ARG A 23 7.139 2.811 -4.957 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.610 4.105 -3.877 1.00 0.00 H new ATOM 0 HH21 ARG A 23 6.230 2.006 -1.074 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.100 3.653 -1.699 1.00 0.00 H new ATOM 366 N VAL A 24 6.768 -4.621 -5.553 1.00 0.00 N ATOM 367 CA VAL A 24 6.122 -5.916 -5.328 1.00 0.00 C ATOM 368 C VAL A 24 5.397 -6.385 -6.593 1.00 0.00 C ATOM 369 O VAL A 24 4.235 -6.775 -6.563 1.00 0.00 O ATOM 370 CB VAL A 24 5.315 -5.892 -4.006 1.00 0.00 C ATOM 371 CG1 VAL A 24 4.251 -4.795 -3.910 1.00 0.00 C ATOM 372 CG2 VAL A 24 4.701 -7.250 -3.633 1.00 0.00 C ATOM 0 H VAL A 24 6.181 -3.961 -6.063 1.00 0.00 H new ATOM 0 HA VAL A 24 6.856 -6.704 -5.161 1.00 0.00 H new ATOM 0 HB VAL A 24 6.083 -5.647 -3.272 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.743 -4.864 -2.948 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.726 -3.818 -4.000 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.525 -4.921 -4.713 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.151 -7.156 -2.697 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.021 -7.571 -4.422 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.494 -7.988 -3.515 1.00 0.00 H new ATOM 382 N GLU A 25 6.087 -6.323 -7.730 1.00 0.00 N ATOM 383 CA GLU A 25 5.585 -6.849 -9.010 1.00 0.00 C ATOM 384 C GLU A 25 5.524 -8.389 -8.972 1.00 0.00 C ATOM 385 O GLU A 25 4.952 -9.024 -9.856 1.00 0.00 O ATOM 386 CB GLU A 25 6.470 -6.360 -10.166 1.00 0.00 C ATOM 387 CG GLU A 25 5.764 -5.859 -11.440 1.00 0.00 C ATOM 388 CD GLU A 25 4.885 -6.891 -12.143 1.00 0.00 C ATOM 389 OE1 GLU A 25 5.432 -7.682 -12.950 1.00 0.00 O ATOM 390 OE2 GLU A 25 3.647 -6.851 -11.966 1.00 0.00 O ATOM 0 H GLU A 25 7.015 -5.906 -7.796 1.00 0.00 H new ATOM 0 HA GLU A 25 4.574 -6.477 -9.173 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.098 -5.553 -9.790 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.135 -7.176 -10.449 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.149 -4.997 -11.181 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.521 -5.510 -12.143 1.00 0.00 H new ATOM 397 N SER A 26 6.136 -9.015 -7.961 1.00 0.00 N ATOM 398 CA SER A 26 5.936 -10.410 -7.619 1.00 0.00 C ATOM 399 C SER A 26 4.507 -10.555 -7.085 1.00 0.00 C ATOM 400 O SER A 26 4.283 -10.477 -5.874 1.00 0.00 O ATOM 401 CB SER A 26 7.020 -10.837 -6.610 1.00 0.00 C ATOM 402 OG SER A 26 7.660 -12.038 -6.994 1.00 0.00 O ATOM 0 H SER A 26 6.801 -8.544 -7.347 1.00 0.00 H new ATOM 0 HA SER A 26 6.038 -11.072 -8.479 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.762 -10.044 -6.519 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.569 -10.966 -5.626 1.00 0.00 H new ATOM 0 HG SER A 26 8.341 -12.273 -6.329 1.00 0.00 H new ATOM 408 N SER A 27 3.527 -10.771 -7.962 1.00 0.00 N ATOM 409 CA SER A 27 2.191 -11.137 -7.521 1.00 0.00 C ATOM 410 C SER A 27 2.236 -12.452 -6.734 1.00 0.00 C ATOM 411 O SER A 27 3.114 -13.292 -6.937 1.00 0.00 O ATOM 412 CB SER A 27 1.248 -11.250 -8.720 1.00 0.00 C ATOM 413 OG SER A 27 0.988 -9.974 -9.266 1.00 0.00 O ATOM 0 H SER A 27 3.636 -10.698 -8.974 1.00 0.00 H new ATOM 0 HA SER A 27 1.810 -10.357 -6.862 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.691 -11.894 -9.480 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.313 -11.718 -8.412 1.00 0.00 H new ATOM 0 HG SER A 27 0.549 -9.413 -8.593 1.00 0.00 H new ATOM 419 N SER A 28 1.267 -12.625 -5.840 1.00 0.00 N ATOM 420 CA SER A 28 0.920 -13.830 -5.097 1.00 0.00 C ATOM 421 C SER A 28 -0.511 -13.581 -4.591 1.00 0.00 C ATOM 422 O SER A 28 -1.152 -12.607 -5.007 1.00 0.00 O ATOM 423 CB SER A 28 1.956 -14.057 -3.975 1.00 0.00 C ATOM 424 OG SER A 28 1.580 -15.065 -3.053 1.00 0.00 O ATOM 0 H SER A 28 0.648 -11.852 -5.595 1.00 0.00 H new ATOM 0 HA SER A 28 0.943 -14.744 -5.690 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.913 -14.325 -4.424 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.107 -13.121 -3.436 1.00 0.00 H new ATOM 0 HG SER A 28 2.277 -15.161 -2.371 1.00 0.00 H new ATOM 430 N LYS A 29 -1.033 -14.427 -3.702 1.00 0.00 N ATOM 431 CA LYS A 29 -2.102 -14.037 -2.786 1.00 0.00 C ATOM 432 C LYS A 29 -1.558 -13.533 -1.447 1.00 0.00 C ATOM 433 O LYS A 29 -2.330 -12.927 -0.706 1.00 0.00 O ATOM 434 CB LYS A 29 -3.102 -15.190 -2.580 1.00 0.00 C ATOM 435 CG LYS A 29 -4.353 -14.992 -3.448 1.00 0.00 C ATOM 436 CD LYS A 29 -5.262 -13.874 -2.896 1.00 0.00 C ATOM 437 CE LYS A 29 -5.702 -12.869 -3.960 1.00 0.00 C ATOM 438 NZ LYS A 29 -6.660 -13.438 -4.922 1.00 0.00 N ATOM 0 H LYS A 29 -0.728 -15.395 -3.598 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.633 -13.205 -3.248 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.627 -16.138 -2.831 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.388 -15.245 -1.530 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.053 -14.747 -4.467 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.913 -15.926 -3.496 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.146 -14.324 -2.445 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.734 -13.345 -2.103 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.154 -12.005 -3.472 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.825 -12.509 -4.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.923 -12.713 -5.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.223 -14.246 -5.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.511 -13.758 -4.417 1.00 0.00 H new ATOM 452 N LEU A 30 -0.264 -13.708 -1.152 1.00 0.00 N ATOM 453 CA LEU A 30 0.364 -13.259 0.087 1.00 0.00 C ATOM 454 C LEU A 30 0.291 -11.736 0.209 1.00 0.00 C ATOM 455 O LEU A 30 -0.434 -11.215 1.050 1.00 0.00 O ATOM 456 CB LEU A 30 1.808 -13.787 0.164 1.00 0.00 C ATOM 457 CG LEU A 30 2.651 -13.130 1.277 1.00 0.00 C ATOM 458 CD1 LEU A 30 2.014 -13.257 2.660 1.00 0.00 C ATOM 459 CD2 LEU A 30 4.061 -13.725 1.268 1.00 0.00 C ATOM 0 H LEU A 30 0.385 -14.176 -1.784 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.181 -13.668 0.938 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.783 -14.864 0.328 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.297 -13.622 -0.796 1.00 0.00 H new ATOM 0 HG LEU A 30 2.701 -12.062 1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.653 -12.776 3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.037 -12.775 2.656 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.897 -14.311 2.911 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.657 -13.261 2.054 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.004 -14.799 1.442 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.528 -13.539 0.301 1.00 0.00 H new ATOM 471 N TRP A 31 0.999 -11.001 -0.649 1.00 0.00 N ATOM 472 CA TRP A 31 0.947 -9.540 -0.696 1.00 0.00 C ATOM 473 C TRP A 31 -0.503 -9.050 -0.844 1.00 0.00 C ATOM 474 O TRP A 31 -0.891 -8.044 -0.240 1.00 0.00 O ATOM 475 CB TRP A 31 1.835 -9.065 -1.853 1.00 0.00 C ATOM 476 CG TRP A 31 1.282 -8.048 -2.792 1.00 0.00 C ATOM 477 CD1 TRP A 31 1.351 -6.707 -2.653 1.00 0.00 C ATOM 478 CD2 TRP A 31 0.600 -8.292 -4.052 1.00 0.00 C ATOM 479 NE1 TRP A 31 0.874 -6.106 -3.799 1.00 0.00 N ATOM 480 CE2 TRP A 31 0.402 -7.041 -4.694 1.00 0.00 C ATOM 481 CE3 TRP A 31 0.138 -9.447 -4.720 1.00 0.00 C ATOM 482 CZ2 TRP A 31 -0.158 -6.952 -5.971 1.00 0.00 C ATOM 483 CZ3 TRP A 31 -0.481 -9.358 -5.980 1.00 0.00 C ATOM 484 CH2 TRP A 31 -0.610 -8.111 -6.614 1.00 0.00 C ATOM 0 H TRP A 31 1.631 -11.408 -1.338 1.00 0.00 H new ATOM 0 HA TRP A 31 1.321 -9.118 0.237 1.00 0.00 H new ATOM 0 HB2 TRP A 31 2.752 -8.660 -1.425 1.00 0.00 H new ATOM 0 HB3 TRP A 31 2.117 -9.940 -2.438 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.721 -6.187 -1.782 1.00 0.00 H new ATOM 0 HE1 TRP A 31 0.871 -5.099 -3.963 1.00 0.00 H new ATOM 0 HE3 TRP A 31 0.262 -10.414 -4.256 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -0.242 -5.993 -6.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -0.857 -10.249 -6.460 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -1.057 -8.046 -7.595 1.00 0.00 H new ATOM 495 N ALA A 32 -1.313 -9.777 -1.624 1.00 0.00 N ATOM 496 CA ALA A 32 -2.709 -9.450 -1.861 1.00 0.00 C ATOM 497 C ALA A 32 -3.512 -9.503 -0.549 1.00 0.00 C ATOM 498 O ALA A 32 -4.451 -8.731 -0.373 1.00 0.00 O ATOM 499 CB ALA A 32 -3.320 -10.378 -2.908 1.00 0.00 C ATOM 0 H ALA A 32 -1.005 -10.619 -2.111 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.754 -8.432 -2.248 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.365 -10.111 -3.066 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.774 -10.277 -3.846 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.258 -11.409 -2.561 1.00 0.00 H new ATOM 505 N GLN A 33 -3.115 -10.348 0.409 1.00 0.00 N ATOM 506 CA GLN A 33 -3.666 -10.424 1.740 1.00 0.00 C ATOM 507 C GLN A 33 -3.471 -9.136 2.541 1.00 0.00 C ATOM 508 O GLN A 33 -4.225 -8.903 3.481 1.00 0.00 O ATOM 509 CB GLN A 33 -3.041 -11.638 2.461 1.00 0.00 C ATOM 510 CG GLN A 33 -4.122 -12.256 3.323 1.00 0.00 C ATOM 511 CD GLN A 33 -3.824 -13.613 3.958 1.00 0.00 C ATOM 512 OE1 GLN A 33 -4.374 -13.905 5.018 1.00 0.00 O ATOM 513 NE2 GLN A 33 -3.080 -14.504 3.323 1.00 0.00 N ATOM 0 H GLN A 33 -2.366 -11.023 0.257 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.745 -10.552 1.660 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.665 -12.362 1.738 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.193 -11.328 3.072 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.357 -11.554 4.123 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.020 -12.359 2.715 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -2.626 -14.256 2.444 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -2.960 -15.439 3.713 1.00 0.00 H new ATOM 522 N CYS A 34 -2.509 -8.278 2.190 1.00 0.00 N ATOM 523 CA CYS A 34 -2.551 -6.874 2.585 1.00 0.00 C ATOM 524 C CYS A 34 -3.422 -6.078 1.647 1.00 0.00 C ATOM 525 O CYS A 34 -4.144 -5.198 2.122 1.00 0.00 O ATOM 526 CB CYS A 34 -1.165 -6.240 2.561 1.00 0.00 C ATOM 527 SG CYS A 34 -0.633 -5.756 4.216 1.00 0.00 S ATOM 0 H CYS A 34 -1.694 -8.534 1.633 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.953 -6.854 3.598 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.448 -6.944 2.138 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.174 -5.366 1.910 1.00 0.00 H new ATOM 0 HG CYS A 34 0.447 -5.038 4.132 1.00 0.00 H new ATOM 533 N VAL A 35 -3.274 -6.281 0.336 1.00 0.00 N ATOM 534 CA VAL A 35 -3.852 -5.375 -0.635 1.00 0.00 C ATOM 535 C VAL A 35 -5.352 -5.191 -0.352 1.00 0.00 C ATOM 536 O VAL A 35 -5.808 -4.055 -0.330 1.00 0.00 O ATOM 537 CB VAL A 35 -3.444 -5.741 -2.086 1.00 0.00 C ATOM 538 CG1 VAL A 35 -4.519 -6.449 -2.926 1.00 0.00 C ATOM 539 CG2 VAL A 35 -2.978 -4.496 -2.853 1.00 0.00 C ATOM 0 H VAL A 35 -2.760 -7.064 -0.068 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.430 -4.376 -0.526 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.636 -6.460 -1.950 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.125 -6.657 -3.921 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.799 -7.386 -2.444 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.396 -5.807 -3.010 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.697 -4.778 -3.868 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.788 -3.767 -2.890 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.118 -4.058 -2.347 1.00 0.00 H new ATOM 549 N GLN A 36 -6.066 -6.246 0.043 1.00 0.00 N ATOM 550 CA GLN A 36 -7.473 -6.246 0.447 1.00 0.00 C ATOM 551 C GLN A 36 -7.915 -5.235 1.532 1.00 0.00 C ATOM 552 O GLN A 36 -9.119 -5.047 1.712 1.00 0.00 O ATOM 553 CB GLN A 36 -7.834 -7.662 0.915 1.00 0.00 C ATOM 554 CG GLN A 36 -6.943 -8.162 2.071 1.00 0.00 C ATOM 555 CD GLN A 36 -7.655 -8.975 3.155 1.00 0.00 C ATOM 556 OE1 GLN A 36 -8.875 -8.947 3.312 1.00 0.00 O ATOM 557 NE2 GLN A 36 -6.894 -9.671 3.983 1.00 0.00 N ATOM 0 H GLN A 36 -5.654 -7.178 0.092 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.010 -5.917 -0.443 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.876 -7.678 1.234 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.747 -8.350 0.074 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.144 -8.773 1.651 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.471 -7.299 2.541 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.883 -9.692 3.850 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.318 -10.186 4.754 1.00 0.00 H new ATOM 566 N LEU A 37 -6.999 -4.609 2.275 1.00 0.00 N ATOM 567 CA LEU A 37 -7.236 -3.626 3.315 1.00 0.00 C ATOM 568 C LEU A 37 -6.903 -2.231 2.811 1.00 0.00 C ATOM 569 O LEU A 37 -7.546 -1.305 3.281 1.00 0.00 O ATOM 570 CB LEU A 37 -6.391 -3.930 4.571 1.00 0.00 C ATOM 571 CG LEU A 37 -7.104 -4.702 5.697 1.00 0.00 C ATOM 572 CD1 LEU A 37 -8.237 -3.886 6.337 1.00 0.00 C ATOM 573 CD2 LEU A 37 -7.630 -6.059 5.223 1.00 0.00 C ATOM 0 H LEU A 37 -6.004 -4.795 2.150 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.292 -3.675 3.582 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.515 -4.501 4.265 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.029 -2.986 4.978 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.347 -4.881 6.461 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.708 -4.474 7.125 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -7.829 -2.969 6.763 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.978 -3.635 5.578 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.125 -6.567 6.051 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.342 -5.910 4.411 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.798 -6.668 4.869 1.00 0.00 H new ATOM 585 N HIS A 38 -5.968 -2.006 1.871 1.00 0.00 N ATOM 586 CA HIS A 38 -5.703 -0.643 1.400 1.00 0.00 C ATOM 587 C HIS A 38 -6.967 0.086 0.927 1.00 0.00 C ATOM 588 O HIS A 38 -7.076 1.290 1.117 1.00 0.00 O ATOM 589 CB HIS A 38 -4.644 -0.621 0.306 1.00 0.00 C ATOM 590 CG HIS A 38 -5.194 -0.711 -1.093 1.00 0.00 C ATOM 591 ND1 HIS A 38 -5.524 -1.857 -1.764 1.00 0.00 N ATOM 592 CD2 HIS A 38 -5.629 0.350 -1.828 1.00 0.00 C ATOM 593 CE1 HIS A 38 -6.170 -1.514 -2.883 1.00 0.00 C ATOM 594 NE2 HIS A 38 -6.272 -0.172 -2.947 1.00 0.00 N ATOM 0 H HIS A 38 -5.399 -2.731 1.435 1.00 0.00 H new ATOM 0 HA HIS A 38 -5.323 -0.103 2.267 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -4.064 0.297 0.397 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.955 -1.450 0.467 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -5.313 -2.808 -1.463 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.500 1.395 -1.589 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -6.551 -2.205 -3.621 1.00 0.00 H new ATOM 603 N ASN A 39 -7.887 -0.633 0.277 1.00 0.00 N ATOM 604 CA ASN A 39 -9.183 -0.138 -0.192 1.00 0.00 C ATOM 605 C ASN A 39 -10.055 0.300 0.985 1.00 0.00 C ATOM 606 O ASN A 39 -10.888 1.186 0.843 1.00 0.00 O ATOM 607 CB ASN A 39 -9.910 -1.191 -1.052 1.00 0.00 C ATOM 608 CG ASN A 39 -9.697 -2.603 -0.538 1.00 0.00 C ATOM 609 OD1 ASN A 39 -8.645 -3.182 -0.793 1.00 0.00 O ATOM 610 ND2 ASN A 39 -10.596 -3.151 0.250 1.00 0.00 N ATOM 0 H ASN A 39 -7.742 -1.618 0.054 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.997 0.732 -0.822 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.977 -0.970 -1.068 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.556 -1.124 -2.081 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.424 -4.070 0.659 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.465 -2.657 0.453 1.00 0.00 H new ATOM 617 N ASP A 40 -9.847 -0.285 2.161 1.00 0.00 N ATOM 618 CA ASP A 40 -10.500 0.105 3.401 1.00 0.00 C ATOM 619 C ASP A 40 -9.816 1.342 4.003 1.00 0.00 C ATOM 620 O ASP A 40 -10.454 2.317 4.407 1.00 0.00 O ATOM 621 CB ASP A 40 -10.469 -1.076 4.368 1.00 0.00 C ATOM 622 CG ASP A 40 -11.621 -1.082 5.383 1.00 0.00 C ATOM 623 OD1 ASP A 40 -11.902 -0.019 5.984 1.00 0.00 O ATOM 624 OD2 ASP A 40 -12.212 -2.158 5.611 1.00 0.00 O ATOM 0 H ASP A 40 -9.201 -1.065 2.278 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.538 0.373 3.205 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.499 -2.003 3.795 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.522 -1.065 4.908 1.00 0.00 H new ATOM 629 N ILE A 41 -8.481 1.310 4.007 1.00 0.00 N ATOM 630 CA ILE A 41 -7.559 2.313 4.506 1.00 0.00 C ATOM 631 C ILE A 41 -7.766 3.669 3.831 1.00 0.00 C ATOM 632 O ILE A 41 -7.324 4.643 4.421 1.00 0.00 O ATOM 633 CB ILE A 41 -6.108 1.776 4.360 1.00 0.00 C ATOM 634 CG1 ILE A 41 -5.847 0.548 5.272 1.00 0.00 C ATOM 635 CG2 ILE A 41 -4.985 2.783 4.577 1.00 0.00 C ATOM 636 CD1 ILE A 41 -5.642 0.857 6.760 1.00 0.00 C ATOM 0 H ILE A 41 -7.981 0.507 3.625 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.755 2.493 5.563 1.00 0.00 H new ATOM 0 HB ILE A 41 -6.071 1.501 3.306 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.688 -0.139 5.175 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.964 0.026 4.903 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.022 2.288 4.448 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.077 3.592 3.853 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.051 3.190 5.586 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.468 -0.071 7.304 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.781 1.515 6.880 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.531 1.348 7.156 1.00 0.00 H new ATOM 648 N LEU A 42 -8.478 3.810 2.698 1.00 0.00 N ATOM 649 CA LEU A 42 -8.752 5.142 2.159 1.00 0.00 C ATOM 650 C LEU A 42 -9.510 6.032 3.129 1.00 0.00 C ATOM 651 O LEU A 42 -9.394 7.251 3.034 1.00 0.00 O ATOM 652 CB LEU A 42 -9.467 5.145 0.802 1.00 0.00 C ATOM 653 CG LEU A 42 -8.643 4.741 -0.435 1.00 0.00 C ATOM 654 CD1 LEU A 42 -7.128 4.946 -0.320 1.00 0.00 C ATOM 655 CD2 LEU A 42 -8.959 3.293 -0.781 1.00 0.00 C ATOM 0 H LEU A 42 -8.862 3.037 2.155 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.756 5.555 2.002 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.323 4.473 0.871 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.861 6.147 0.631 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.944 5.421 -1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.647 4.630 -1.245 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.916 6.000 -0.143 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.743 4.354 0.510 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.382 2.994 -1.656 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.699 2.652 0.062 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.023 3.194 -0.997 1.00 0.00 H new ATOM 667 N LEU A 43 -10.222 5.449 4.089 1.00 0.00 N ATOM 668 CA LEU A 43 -10.866 6.122 5.196 1.00 0.00 C ATOM 669 C LEU A 43 -10.331 5.520 6.477 1.00 0.00 C ATOM 670 O LEU A 43 -11.076 5.038 7.334 1.00 0.00 O ATOM 671 CB LEU A 43 -12.374 6.020 5.036 1.00 0.00 C ATOM 672 CG LEU A 43 -12.869 6.631 3.716 1.00 0.00 C ATOM 673 CD1 LEU A 43 -14.372 6.472 3.639 1.00 0.00 C ATOM 674 CD2 LEU A 43 -12.488 8.100 3.652 1.00 0.00 C ATOM 0 H LEU A 43 -10.369 4.440 4.110 1.00 0.00 H new ATOM 0 HA LEU A 43 -10.644 7.189 5.223 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.671 4.972 5.081 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -12.860 6.525 5.871 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.406 6.119 2.872 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -14.736 6.902 2.706 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -14.628 5.413 3.675 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -14.836 6.986 4.481 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.842 8.527 2.714 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -12.944 8.631 4.487 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.404 8.198 3.709 1.00 0.00 H new ATOM 686 N ALA A 44 -9.003 5.522 6.589 1.00 0.00 N ATOM 687 CA ALA A 44 -8.342 5.026 7.786 1.00 0.00 C ATOM 688 C ALA A 44 -8.633 5.965 8.948 1.00 0.00 C ATOM 689 O ALA A 44 -9.045 5.513 10.022 1.00 0.00 O ATOM 690 CB ALA A 44 -6.840 4.861 7.584 1.00 0.00 C ATOM 0 H ALA A 44 -8.369 5.861 5.865 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.738 4.035 8.010 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.388 4.489 8.503 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.657 4.152 6.777 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.399 5.824 7.327 1.00 0.00 H new ATOM 696 N LYS A 45 -8.472 7.267 8.719 1.00 0.00 N ATOM 697 CA LYS A 45 -8.704 8.319 9.695 1.00 0.00 C ATOM 698 C LYS A 45 -9.215 9.545 8.952 1.00 0.00 C ATOM 699 O LYS A 45 -10.395 9.889 9.053 1.00 0.00 O ATOM 700 CB LYS A 45 -7.395 8.544 10.481 1.00 0.00 C ATOM 701 CG LYS A 45 -7.421 9.746 11.430 1.00 0.00 C ATOM 702 CD LYS A 45 -8.410 9.642 12.604 1.00 0.00 C ATOM 703 CE LYS A 45 -7.705 9.358 13.936 1.00 0.00 C ATOM 704 NZ LYS A 45 -7.234 7.964 14.092 1.00 0.00 N ATOM 0 H LYS A 45 -8.165 7.627 7.815 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.465 8.061 10.432 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.174 7.646 11.058 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.578 8.675 9.771 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.419 9.890 11.834 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.663 10.638 10.852 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.974 10.572 12.685 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.130 8.849 12.400 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.852 10.030 14.032 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.389 9.591 14.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.770 7.856 15.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.045 7.315 14.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.556 7.740 13.336 1.00 0.00 H new ATOM 718 N ASP A 46 -8.339 10.147 8.164 1.00 0.00 N ATOM 719 CA ASP A 46 -8.574 11.327 7.335 1.00 0.00 C ATOM 720 C ASP A 46 -8.002 11.039 5.952 1.00 0.00 C ATOM 721 O ASP A 46 -7.134 10.176 5.858 1.00 0.00 O ATOM 722 CB ASP A 46 -7.867 12.538 7.950 1.00 0.00 C ATOM 723 CG ASP A 46 -8.680 13.796 7.703 1.00 0.00 C ATOM 724 OD1 ASP A 46 -8.667 14.312 6.566 1.00 0.00 O ATOM 725 OD2 ASP A 46 -9.410 14.214 8.626 1.00 0.00 O ATOM 0 H ASP A 46 -7.382 9.805 8.078 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.640 11.547 7.269 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.734 12.386 9.021 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.873 12.647 7.517 1.00 0.00 H new ATOM 730 N THR A 47 -8.441 11.729 4.898 1.00 0.00 N ATOM 731 CA THR A 47 -8.124 11.394 3.503 1.00 0.00 C ATOM 732 C THR A 47 -6.620 11.271 3.233 1.00 0.00 C ATOM 733 O THR A 47 -6.231 10.427 2.417 1.00 0.00 O ATOM 734 CB THR A 47 -8.780 12.444 2.585 1.00 0.00 C ATOM 735 OG1 THR A 47 -10.182 12.359 2.741 1.00 0.00 O ATOM 736 CG2 THR A 47 -8.471 12.298 1.088 1.00 0.00 C ATOM 0 H THR A 47 -9.038 12.551 4.988 1.00 0.00 H new ATOM 0 HA THR A 47 -8.529 10.405 3.291 1.00 0.00 H new ATOM 0 HB THR A 47 -8.362 13.402 2.893 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.616 13.022 2.165 1.00 0.00 H new ATOM 0 HG21 THR A 47 -8.981 13.085 0.533 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.396 12.380 0.929 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.817 11.325 0.738 1.00 0.00 H new ATOM 744 N THR A 48 -5.802 12.080 3.906 1.00 0.00 N ATOM 745 CA THR A 48 -4.361 12.107 3.716 1.00 0.00 C ATOM 746 C THR A 48 -3.737 10.911 4.440 1.00 0.00 C ATOM 747 O THR A 48 -3.308 9.960 3.784 1.00 0.00 O ATOM 748 CB THR A 48 -3.849 13.490 4.151 1.00 0.00 C ATOM 749 OG1 THR A 48 -4.409 14.435 3.256 1.00 0.00 O ATOM 750 CG2 THR A 48 -2.332 13.626 4.082 1.00 0.00 C ATOM 0 H THR A 48 -6.132 12.743 4.608 1.00 0.00 H new ATOM 0 HA THR A 48 -4.066 11.990 2.673 1.00 0.00 H new ATOM 0 HB THR A 48 -4.138 13.645 5.190 1.00 0.00 H new ATOM 0 HG1 THR A 48 -4.108 15.335 3.500 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.041 14.626 4.403 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.870 12.887 4.736 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.998 13.462 3.057 1.00 0.00 H new ATOM 758 N GLU A 49 -3.769 10.909 5.777 1.00 0.00 N ATOM 759 CA GLU A 49 -3.138 9.891 6.620 1.00 0.00 C ATOM 760 C GLU A 49 -3.701 8.479 6.370 1.00 0.00 C ATOM 761 O GLU A 49 -3.111 7.490 6.797 1.00 0.00 O ATOM 762 CB GLU A 49 -3.293 10.293 8.095 1.00 0.00 C ATOM 763 CG GLU A 49 -2.443 11.523 8.461 1.00 0.00 C ATOM 764 CD GLU A 49 -2.693 12.030 9.885 1.00 0.00 C ATOM 765 OE1 GLU A 49 -3.385 11.361 10.678 1.00 0.00 O ATOM 766 OE2 GLU A 49 -2.247 13.156 10.210 1.00 0.00 O ATOM 0 H GLU A 49 -4.246 11.633 6.314 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.081 9.844 6.358 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.342 10.505 8.303 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.006 9.454 8.729 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.388 11.272 8.352 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.655 12.326 7.755 1.00 0.00 H new ATOM 773 N ALA A 50 -4.839 8.376 5.685 1.00 0.00 N ATOM 774 CA ALA A 50 -5.390 7.207 5.034 1.00 0.00 C ATOM 775 C ALA A 50 -4.519 6.693 3.893 1.00 0.00 C ATOM 776 O ALA A 50 -3.890 5.647 4.026 1.00 0.00 O ATOM 777 CB ALA A 50 -6.774 7.579 4.509 1.00 0.00 C ATOM 0 H ALA A 50 -5.447 9.186 5.566 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.441 6.397 5.762 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.218 6.717 4.011 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.409 7.884 5.341 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.685 8.402 3.799 1.00 0.00 H new ATOM 783 N PHE A 51 -4.535 7.368 2.743 1.00 0.00 N ATOM 784 CA PHE A 51 -3.846 6.892 1.546 1.00 0.00 C ATOM 785 C PHE A 51 -2.349 6.705 1.836 1.00 0.00 C ATOM 786 O PHE A 51 -1.720 5.780 1.320 1.00 0.00 O ATOM 787 CB PHE A 51 -4.074 7.827 0.339 1.00 0.00 C ATOM 788 CG PHE A 51 -2.793 8.321 -0.317 1.00 0.00 C ATOM 789 CD1 PHE A 51 -2.018 7.458 -1.123 1.00 0.00 C ATOM 790 CD2 PHE A 51 -2.303 9.605 -0.011 1.00 0.00 C ATOM 791 CE1 PHE A 51 -0.769 7.871 -1.609 1.00 0.00 C ATOM 792 CE2 PHE A 51 -1.045 10.011 -0.485 1.00 0.00 C ATOM 793 CZ PHE A 51 -0.273 9.140 -1.273 1.00 0.00 C ATOM 0 H PHE A 51 -5.023 8.255 2.617 1.00 0.00 H new ATOM 0 HA PHE A 51 -4.270 5.925 1.276 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.671 7.301 -0.406 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.657 8.688 0.666 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.390 6.474 -1.367 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.896 10.279 0.589 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.190 7.214 -2.241 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.670 10.995 -0.244 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.702 9.448 -1.620 1.00 0.00 H new ATOM 803 N GLU A 52 -1.787 7.565 2.678 1.00 0.00 N ATOM 804 CA GLU A 52 -0.428 7.457 3.168 1.00 0.00 C ATOM 805 C GLU A 52 -0.204 6.067 3.767 1.00 0.00 C ATOM 806 O GLU A 52 0.700 5.335 3.358 1.00 0.00 O ATOM 807 CB GLU A 52 -0.216 8.598 4.167 1.00 0.00 C ATOM 808 CG GLU A 52 -0.086 9.919 3.383 1.00 0.00 C ATOM 809 CD GLU A 52 0.169 11.145 4.259 1.00 0.00 C ATOM 810 OE1 GLU A 52 -0.059 11.048 5.482 1.00 0.00 O ATOM 811 OE2 GLU A 52 0.565 12.187 3.681 1.00 0.00 O ATOM 0 H GLU A 52 -2.282 8.377 3.046 1.00 0.00 H new ATOM 0 HA GLU A 52 0.309 7.557 2.372 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.053 8.652 4.863 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.681 8.420 4.760 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.729 9.824 2.665 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.999 10.080 2.810 1.00 0.00 H new ATOM 818 N LYS A 53 -1.098 5.646 4.660 1.00 0.00 N ATOM 819 CA LYS A 53 -1.068 4.334 5.283 1.00 0.00 C ATOM 820 C LYS A 53 -1.232 3.228 4.240 1.00 0.00 C ATOM 821 O LYS A 53 -0.534 2.237 4.348 1.00 0.00 O ATOM 822 CB LYS A 53 -2.107 4.316 6.412 1.00 0.00 C ATOM 823 CG LYS A 53 -1.832 3.349 7.576 1.00 0.00 C ATOM 824 CD LYS A 53 -2.266 4.059 8.869 1.00 0.00 C ATOM 825 CE LYS A 53 -2.073 3.249 10.147 1.00 0.00 C ATOM 826 NZ LYS A 53 -1.806 4.143 11.294 1.00 0.00 N ATOM 0 H LYS A 53 -1.878 6.224 4.974 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.097 4.131 5.735 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.189 5.325 6.817 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.076 4.066 5.981 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.386 2.420 7.443 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.775 3.087 7.617 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.707 4.990 8.959 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.319 4.327 8.782 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.964 2.652 10.344 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.244 2.553 10.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.677 3.574 12.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.943 4.694 11.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.609 4.791 11.424 1.00 0.00 H new ATOM 840 N MET A 54 -2.045 3.384 3.191 1.00 0.00 N ATOM 841 CA MET A 54 -2.188 2.530 2.022 1.00 0.00 C ATOM 842 C MET A 54 -0.833 2.247 1.324 1.00 0.00 C ATOM 843 O MET A 54 -0.736 1.298 0.547 1.00 0.00 O ATOM 844 CB MET A 54 -3.270 3.066 1.059 1.00 0.00 C ATOM 845 CG MET A 54 -2.934 2.821 -0.416 1.00 0.00 C ATOM 846 SD MET A 54 -4.049 3.555 -1.643 1.00 0.00 S ATOM 847 CE MET A 54 -2.871 3.886 -2.985 1.00 0.00 C ATOM 0 H MET A 54 -2.674 4.185 3.140 1.00 0.00 H new ATOM 0 HA MET A 54 -2.539 1.559 2.371 1.00 0.00 H new ATOM 0 HB2 MET A 54 -4.223 2.592 1.292 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.397 4.136 1.224 1.00 0.00 H new ATOM 0 HG2 MET A 54 -1.929 3.198 -0.602 1.00 0.00 H new ATOM 0 HG3 MET A 54 -2.906 1.744 -0.584 1.00 0.00 H new ATOM 0 HE1 MET A 54 -3.395 4.341 -3.825 1.00 0.00 H new ATOM 0 HE2 MET A 54 -2.096 4.565 -2.630 1.00 0.00 H new ATOM 0 HE3 MET A 54 -2.414 2.950 -3.307 1.00 0.00 H new ATOM 857 N VAL A 55 0.221 3.012 1.566 1.00 0.00 N ATOM 858 CA VAL A 55 1.552 2.739 1.029 1.00 0.00 C ATOM 859 C VAL A 55 2.417 2.147 2.165 1.00 0.00 C ATOM 860 O VAL A 55 3.275 1.303 1.892 1.00 0.00 O ATOM 861 CB VAL A 55 2.008 4.057 0.358 1.00 0.00 C ATOM 862 CG1 VAL A 55 3.381 4.032 -0.306 1.00 0.00 C ATOM 863 CG2 VAL A 55 1.011 4.448 -0.760 1.00 0.00 C ATOM 0 H VAL A 55 0.179 3.850 2.147 1.00 0.00 H new ATOM 0 HA VAL A 55 1.618 1.978 0.252 1.00 0.00 H new ATOM 0 HB VAL A 55 2.052 4.762 1.188 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.592 5.009 -0.741 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.141 3.794 0.438 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.392 3.275 -1.090 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.336 5.376 -1.229 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.975 3.656 -1.508 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.019 4.587 -0.331 1.00 0.00 H new ATOM 873 N SER A 56 2.088 2.434 3.429 1.00 0.00 N ATOM 874 CA SER A 56 2.779 1.968 4.623 1.00 0.00 C ATOM 875 C SER A 56 2.817 0.458 4.774 1.00 0.00 C ATOM 876 O SER A 56 3.876 -0.166 4.794 1.00 0.00 O ATOM 877 CB SER A 56 2.272 2.724 5.865 1.00 0.00 C ATOM 878 OG SER A 56 2.973 2.401 7.053 1.00 0.00 O ATOM 0 H SER A 56 1.290 3.029 3.652 1.00 0.00 H new ATOM 0 HA SER A 56 3.834 2.217 4.506 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.354 3.796 5.685 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.214 2.504 6.007 1.00 0.00 H new ATOM 0 HG SER A 56 2.604 2.915 7.801 1.00 0.00 H new ATOM 884 N LEU A 57 1.638 -0.135 4.846 1.00 0.00 N ATOM 885 CA LEU A 57 1.406 -1.561 4.999 1.00 0.00 C ATOM 886 C LEU A 57 2.233 -2.373 4.043 1.00 0.00 C ATOM 887 O LEU A 57 2.890 -3.306 4.496 1.00 0.00 O ATOM 888 CB LEU A 57 -0.059 -1.970 4.801 1.00 0.00 C ATOM 889 CG LEU A 57 -0.935 -0.890 4.201 1.00 0.00 C ATOM 890 CD1 LEU A 57 -0.698 -0.570 2.744 1.00 0.00 C ATOM 891 CD2 LEU A 57 -2.384 -1.394 4.235 1.00 0.00 C ATOM 0 H LEU A 57 0.768 0.395 4.796 1.00 0.00 H new ATOM 0 HA LEU A 57 1.696 -1.767 6.029 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.094 -2.849 4.157 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.475 -2.264 5.765 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.711 0.001 4.788 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.383 0.217 2.428 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.329 -0.232 2.608 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.869 -1.463 2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.043 -0.637 3.809 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.463 -2.313 3.654 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.677 -1.590 5.266 1.00 0.00 H new ATOM 903 N LEU A 58 2.167 -2.090 2.737 1.00 0.00 N ATOM 904 CA LEU A 58 2.998 -2.893 1.839 1.00 0.00 C ATOM 905 C LEU A 58 4.493 -2.810 2.199 1.00 0.00 C ATOM 906 O LEU A 58 5.125 -3.859 2.228 1.00 0.00 O ATOM 907 CB LEU A 58 2.621 -2.684 0.363 1.00 0.00 C ATOM 908 CG LEU A 58 1.788 -3.852 -0.200 1.00 0.00 C ATOM 909 CD1 LEU A 58 0.555 -4.234 0.621 1.00 0.00 C ATOM 910 CD2 LEU A 58 1.289 -3.517 -1.606 1.00 0.00 C ATOM 0 H LEU A 58 1.593 -1.367 2.304 1.00 0.00 H new ATOM 0 HA LEU A 58 2.773 -3.947 2.000 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.057 -1.757 0.262 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.529 -2.570 -0.229 1.00 0.00 H new ATOM 0 HG LEU A 58 2.476 -4.697 -0.180 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.040 -5.065 0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.863 -4.530 1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.118 -3.379 0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.702 -4.350 -1.992 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.668 -2.622 -1.568 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.141 -3.339 -2.262 1.00 0.00 H new ATOM 922 N SER A 59 5.029 -1.669 2.642 1.00 0.00 N ATOM 923 CA SER A 59 6.396 -1.567 3.173 1.00 0.00 C ATOM 924 C SER A 59 6.659 -2.291 4.519 1.00 0.00 C ATOM 925 O SER A 59 7.803 -2.283 4.972 1.00 0.00 O ATOM 926 CB SER A 59 6.800 -0.087 3.264 1.00 0.00 C ATOM 927 OG SER A 59 7.255 0.355 1.998 1.00 0.00 O ATOM 0 H SER A 59 4.525 -0.782 2.643 1.00 0.00 H new ATOM 0 HA SER A 59 7.022 -2.104 2.461 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.950 0.514 3.587 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.584 0.042 4.010 1.00 0.00 H new ATOM 0 HG SER A 59 8.222 0.513 2.035 1.00 0.00 H new ATOM 933 N VAL A 60 5.697 -2.951 5.175 1.00 0.00 N ATOM 934 CA VAL A 60 5.966 -3.824 6.335 1.00 0.00 C ATOM 935 C VAL A 60 5.514 -5.266 6.080 1.00 0.00 C ATOM 936 O VAL A 60 6.168 -6.213 6.509 1.00 0.00 O ATOM 937 CB VAL A 60 5.429 -3.188 7.636 1.00 0.00 C ATOM 938 CG1 VAL A 60 3.908 -3.272 7.807 1.00 0.00 C ATOM 939 CG2 VAL A 60 6.113 -3.769 8.879 1.00 0.00 C ATOM 0 H VAL A 60 4.711 -2.898 4.921 1.00 0.00 H new ATOM 0 HA VAL A 60 7.043 -3.905 6.478 1.00 0.00 H new ATOM 0 HB VAL A 60 5.677 -2.131 7.536 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.621 -2.801 8.747 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.420 -2.757 6.979 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.600 -4.318 7.816 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.707 -3.295 9.773 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.934 -4.843 8.924 1.00 0.00 H new ATOM 0 HG23 VAL A 60 7.186 -3.582 8.825 1.00 0.00 H new ATOM 949 N LEU A 61 4.465 -5.468 5.281 1.00 0.00 N ATOM 950 CA LEU A 61 4.127 -6.760 4.700 1.00 0.00 C ATOM 951 C LEU A 61 5.323 -7.268 3.896 1.00 0.00 C ATOM 952 O LEU A 61 5.594 -8.467 3.923 1.00 0.00 O ATOM 953 CB LEU A 61 2.825 -6.602 3.896 1.00 0.00 C ATOM 954 CG LEU A 61 2.472 -7.596 2.773 1.00 0.00 C ATOM 955 CD1 LEU A 61 3.303 -7.322 1.524 1.00 0.00 C ATOM 956 CD2 LEU A 61 2.447 -9.074 3.161 1.00 0.00 C ATOM 0 H LEU A 61 3.819 -4.724 5.018 1.00 0.00 H new ATOM 0 HA LEU A 61 3.932 -7.523 5.454 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.002 -6.619 4.611 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.841 -5.607 3.451 1.00 0.00 H new ATOM 0 HG LEU A 61 1.424 -7.399 2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.036 -8.036 0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.106 -6.310 1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.362 -7.424 1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.187 -9.675 2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.430 -9.371 3.526 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.706 -9.232 3.945 1.00 0.00 H new ATOM 968 N LEU A 62 6.086 -6.381 3.241 1.00 0.00 N ATOM 969 CA LEU A 62 7.213 -6.798 2.418 1.00 0.00 C ATOM 970 C LEU A 62 8.269 -7.586 3.196 1.00 0.00 C ATOM 971 O LEU A 62 9.028 -8.306 2.554 1.00 0.00 O ATOM 972 CB LEU A 62 7.832 -5.636 1.599 1.00 0.00 C ATOM 973 CG LEU A 62 7.475 -5.719 0.097 1.00 0.00 C ATOM 974 CD1 LEU A 62 5.982 -5.522 -0.179 1.00 0.00 C ATOM 975 CD2 LEU A 62 8.228 -4.688 -0.740 1.00 0.00 C ATOM 0 H LEU A 62 5.937 -5.372 3.270 1.00 0.00 H new ATOM 0 HA LEU A 62 6.792 -7.492 1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.482 -4.685 2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.916 -5.651 1.714 1.00 0.00 H new ATOM 0 HG LEU A 62 7.770 -6.728 -0.189 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.798 -5.592 -1.251 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.411 -6.294 0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.672 -4.540 0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.941 -4.789 -1.787 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.981 -3.685 -0.391 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.301 -4.852 -0.641 1.00 0.00 H new ATOM 987 N SER A 63 8.274 -7.564 4.540 1.00 0.00 N ATOM 988 CA SER A 63 9.227 -8.286 5.393 1.00 0.00 C ATOM 989 C SER A 63 9.285 -9.803 5.137 1.00 0.00 C ATOM 990 O SER A 63 10.227 -10.464 5.574 1.00 0.00 O ATOM 991 CB SER A 63 8.983 -7.965 6.868 1.00 0.00 C ATOM 992 OG SER A 63 9.167 -6.574 7.125 1.00 0.00 O ATOM 0 H SER A 63 7.593 -7.026 5.077 1.00 0.00 H new ATOM 0 HA SER A 63 10.216 -7.922 5.114 1.00 0.00 H new ATOM 0 HB2 SER A 63 7.971 -8.259 7.145 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.665 -8.547 7.488 1.00 0.00 H new ATOM 0 HG SER A 63 8.312 -6.106 7.021 1.00 0.00 H new ATOM 998 N MET A 64 8.329 -10.346 4.384 1.00 0.00 N ATOM 999 CA MET A 64 8.316 -11.713 3.888 1.00 0.00 C ATOM 1000 C MET A 64 8.280 -11.803 2.382 1.00 0.00 C ATOM 1001 O MET A 64 8.819 -12.748 1.818 1.00 0.00 O ATOM 1002 CB MET A 64 7.099 -12.439 4.420 1.00 0.00 C ATOM 1003 CG MET A 64 5.736 -11.779 4.146 1.00 0.00 C ATOM 1004 SD MET A 64 4.470 -12.814 4.932 1.00 0.00 S ATOM 1005 CE MET A 64 3.551 -11.566 5.864 1.00 0.00 C ATOM 0 H MET A 64 7.507 -9.817 4.092 1.00 0.00 H new ATOM 0 HA MET A 64 9.244 -12.167 4.234 1.00 0.00 H new ATOM 0 HB2 MET A 64 7.085 -13.442 3.993 1.00 0.00 H new ATOM 0 HB3 MET A 64 7.213 -12.553 5.498 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.711 -10.767 4.550 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.556 -11.699 3.074 1.00 0.00 H new ATOM 0 HE1 MET A 64 2.971 -12.052 6.648 1.00 0.00 H new ATOM 0 HE2 MET A 64 4.249 -10.860 6.314 1.00 0.00 H new ATOM 0 HE3 MET A 64 2.878 -11.033 5.192 1.00 0.00 H new ATOM 1015 N GLN A 65 7.613 -10.853 1.723 1.00 0.00 N ATOM 1016 CA GLN A 65 7.542 -10.886 0.280 1.00 0.00 C ATOM 1017 C GLN A 65 8.954 -10.900 -0.312 1.00 0.00 C ATOM 1018 O GLN A 65 9.211 -11.556 -1.320 1.00 0.00 O ATOM 1019 CB GLN A 65 6.890 -9.620 -0.272 1.00 0.00 C ATOM 1020 CG GLN A 65 5.361 -9.627 -0.252 1.00 0.00 C ATOM 1021 CD GLN A 65 4.769 -10.539 -1.326 1.00 0.00 C ATOM 1022 OE1 GLN A 65 3.894 -11.352 -1.053 1.00 0.00 O ATOM 1023 NE2 GLN A 65 5.175 -10.399 -2.573 1.00 0.00 N ATOM 0 H GLN A 65 7.127 -10.071 2.163 1.00 0.00 H new ATOM 0 HA GLN A 65 6.968 -11.774 0.016 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.243 -8.765 0.304 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.226 -9.473 -1.299 1.00 0.00 H new ATOM 0 HG2 GLN A 65 5.015 -9.953 0.729 1.00 0.00 H new ATOM 0 HG3 GLN A 65 4.994 -8.611 -0.399 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.903 -9.722 -2.799 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.760 -10.968 -3.311 1.00 0.00 H new ATOM 1032 N GLY A 66 9.821 -10.076 0.276 1.00 0.00 N ATOM 1033 CA GLY A 66 10.938 -9.471 -0.419 1.00 0.00 C ATOM 1034 C GLY A 66 11.256 -8.118 0.201 1.00 0.00 C ATOM 1035 O GLY A 66 11.001 -7.079 -0.411 1.00 0.00 O ATOM 0 H GLY A 66 9.760 -9.812 1.259 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.810 -10.122 -0.362 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.699 -9.351 -1.476 1.00 0.00 H new ATOM 1039 N ALA A 67 11.751 -8.152 1.436 1.00 0.00 N ATOM 1040 CA ALA A 67 12.379 -7.034 2.134 1.00 0.00 C ATOM 1041 C ALA A 67 13.885 -7.277 2.256 1.00 0.00 C ATOM 1042 O ALA A 67 14.526 -7.611 1.263 1.00 0.00 O ATOM 1043 CB ALA A 67 11.713 -6.769 3.480 1.00 0.00 C ATOM 0 H ALA A 67 11.724 -8.999 2.003 1.00 0.00 H new ATOM 0 HA ALA A 67 12.237 -6.126 1.548 1.00 0.00 H new ATOM 0 HB1 ALA A 67 12.206 -5.930 3.971 1.00 0.00 H new ATOM 0 HB2 ALA A 67 10.661 -6.531 3.325 1.00 0.00 H new ATOM 0 HB3 ALA A 67 11.795 -7.656 4.108 1.00 0.00 H new ATOM 1049 N VAL A 68 14.458 -6.962 3.428 1.00 0.00 N ATOM 1050 CA VAL A 68 15.855 -6.730 3.805 1.00 0.00 C ATOM 1051 C VAL A 68 16.522 -5.597 2.990 1.00 0.00 C ATOM 1052 O VAL A 68 17.299 -4.808 3.539 1.00 0.00 O ATOM 1053 CB VAL A 68 16.615 -8.069 4.030 1.00 0.00 C ATOM 1054 CG1 VAL A 68 16.299 -9.218 3.061 1.00 0.00 C ATOM 1055 CG2 VAL A 68 18.131 -7.892 4.099 1.00 0.00 C ATOM 0 H VAL A 68 13.862 -6.849 4.248 1.00 0.00 H new ATOM 0 HA VAL A 68 15.907 -6.285 4.799 1.00 0.00 H new ATOM 0 HB VAL A 68 16.219 -8.372 4.999 1.00 0.00 H new ATOM 0 HG11 VAL A 68 16.894 -10.092 3.327 1.00 0.00 H new ATOM 0 HG12 VAL A 68 15.240 -9.467 3.125 1.00 0.00 H new ATOM 0 HG13 VAL A 68 16.539 -8.912 2.043 1.00 0.00 H new ATOM 0 HG21 VAL A 68 18.604 -8.861 4.257 1.00 0.00 H new ATOM 0 HG22 VAL A 68 18.490 -7.461 3.164 1.00 0.00 H new ATOM 0 HG23 VAL A 68 18.382 -7.227 4.925 1.00 0.00 H new ATOM 1065 N ASP A 69 16.104 -5.403 1.745 1.00 0.00 N ATOM 1066 CA ASP A 69 16.368 -4.276 0.868 1.00 0.00 C ATOM 1067 C ASP A 69 15.011 -3.684 0.510 1.00 0.00 C ATOM 1068 O ASP A 69 14.575 -3.728 -0.642 1.00 0.00 O ATOM 1069 CB ASP A 69 17.141 -4.751 -0.373 1.00 0.00 C ATOM 1070 CG ASP A 69 18.607 -5.000 -0.050 1.00 0.00 C ATOM 1071 OD1 ASP A 69 19.371 -4.002 -0.012 1.00 0.00 O ATOM 1072 OD2 ASP A 69 19.005 -6.144 0.277 1.00 0.00 O ATOM 0 H ASP A 69 15.517 -6.098 1.284 1.00 0.00 H new ATOM 0 HA ASP A 69 16.989 -3.518 1.345 1.00 0.00 H new ATOM 0 HB2 ASP A 69 16.690 -5.666 -0.756 1.00 0.00 H new ATOM 0 HB3 ASP A 69 17.062 -4.003 -1.162 1.00 0.00 H new ATOM 1077 N ILE A 70 14.326 -3.126 1.515 1.00 0.00 N ATOM 1078 CA ILE A 70 13.183 -2.258 1.263 1.00 0.00 C ATOM 1079 C ILE A 70 13.125 -1.055 2.217 1.00 0.00 C ATOM 1080 O ILE A 70 12.141 -0.318 2.208 1.00 0.00 O ATOM 1081 CB ILE A 70 11.870 -3.082 1.203 1.00 0.00 C ATOM 1082 CG1 ILE A 70 10.853 -2.448 0.237 1.00 0.00 C ATOM 1083 CG2 ILE A 70 11.217 -3.320 2.579 1.00 0.00 C ATOM 1084 CD1 ILE A 70 11.232 -2.704 -1.226 1.00 0.00 C ATOM 0 H ILE A 70 14.546 -3.262 2.502 1.00 0.00 H new ATOM 0 HA ILE A 70 13.313 -1.810 0.278 1.00 0.00 H new ATOM 0 HB ILE A 70 12.165 -4.061 0.826 1.00 0.00 H new ATOM 0 HG12 ILE A 70 9.861 -2.855 0.433 1.00 0.00 H new ATOM 0 HG13 ILE A 70 10.799 -1.374 0.417 1.00 0.00 H new ATOM 0 HG21 ILE A 70 10.305 -3.903 2.453 1.00 0.00 H new ATOM 0 HG22 ILE A 70 11.909 -3.864 3.221 1.00 0.00 H new ATOM 0 HG23 ILE A 70 10.975 -2.361 3.037 1.00 0.00 H new ATOM 0 HD11 ILE A 70 10.492 -2.242 -1.880 1.00 0.00 H new ATOM 0 HD12 ILE A 70 12.213 -2.275 -1.428 1.00 0.00 H new ATOM 0 HD13 ILE A 70 11.261 -3.778 -1.412 1.00 0.00 H new ATOM 1096 N ASN A 71 14.138 -0.826 3.065 1.00 0.00 N ATOM 1097 CA ASN A 71 14.163 0.404 3.848 1.00 0.00 C ATOM 1098 C ASN A 71 14.707 1.524 2.971 1.00 0.00 C ATOM 1099 O ASN A 71 13.948 2.374 2.529 1.00 0.00 O ATOM 1100 CB ASN A 71 14.894 0.264 5.191 1.00 0.00 C ATOM 1101 CG ASN A 71 14.323 1.298 6.155 1.00 0.00 C ATOM 1102 OD1 ASN A 71 13.246 1.089 6.704 1.00 0.00 O ATOM 1103 ND2 ASN A 71 14.984 2.413 6.396 1.00 0.00 N ATOM 0 H ASN A 71 14.924 -1.457 3.220 1.00 0.00 H new ATOM 0 HA ASN A 71 13.144 0.653 4.145 1.00 0.00 H new ATOM 0 HB2 ASN A 71 14.764 -0.741 5.591 1.00 0.00 H new ATOM 0 HB3 ASN A 71 15.965 0.418 5.059 1.00 0.00 H new ATOM 0 HD21 ASN A 71 14.600 3.104 7.040 1.00 0.00 H new ATOM 0 HD22 ASN A 71 15.879 2.584 5.938 1.00 0.00 H new ATOM 1110 N ARG A 72 16.004 1.519 2.649 1.00 0.00 N ATOM 1111 CA ARG A 72 16.657 2.714 2.089 1.00 0.00 C ATOM 1112 C ARG A 72 16.172 3.047 0.686 1.00 0.00 C ATOM 1113 O ARG A 72 15.721 4.155 0.415 1.00 0.00 O ATOM 1114 CB ARG A 72 18.181 2.558 2.064 1.00 0.00 C ATOM 1115 CG ARG A 72 18.754 2.673 3.479 1.00 0.00 C ATOM 1116 CD ARG A 72 18.964 1.302 4.126 1.00 0.00 C ATOM 1117 NE ARG A 72 18.961 1.406 5.586 1.00 0.00 N ATOM 1118 CZ ARG A 72 19.228 0.424 6.446 1.00 0.00 C ATOM 1119 NH1 ARG A 72 19.542 -0.797 6.027 1.00 0.00 N ATOM 1120 NH2 ARG A 72 19.199 0.680 7.744 1.00 0.00 N ATOM 0 H ARG A 72 16.619 0.713 2.763 1.00 0.00 H new ATOM 0 HA ARG A 72 16.382 3.536 2.750 1.00 0.00 H new ATOM 0 HB2 ARG A 72 18.447 1.592 1.635 1.00 0.00 H new ATOM 0 HB3 ARG A 72 18.621 3.323 1.424 1.00 0.00 H new ATOM 0 HG2 ARG A 72 19.704 3.206 3.443 1.00 0.00 H new ATOM 0 HG3 ARG A 72 18.079 3.266 4.096 1.00 0.00 H new ATOM 0 HD2 ARG A 72 18.177 0.620 3.805 1.00 0.00 H new ATOM 0 HD3 ARG A 72 19.910 0.878 3.790 1.00 0.00 H new ATOM 0 HE ARG A 72 18.733 2.317 5.983 1.00 0.00 H new ATOM 0 HH11 ARG A 72 19.583 -0.999 5.028 1.00 0.00 H new ATOM 0 HH12 ARG A 72 19.742 -1.533 6.704 1.00 0.00 H new ATOM 0 HH21 ARG A 72 18.974 1.619 8.074 1.00 0.00 H new ATOM 0 HH22 ARG A 72 19.401 -0.061 8.415 1.00 0.00 H new ATOM 1134 N LEU A 73 16.227 2.071 -0.210 1.00 0.00 N ATOM 1135 CA LEU A 73 15.694 2.180 -1.561 1.00 0.00 C ATOM 1136 C LEU A 73 14.168 2.313 -1.593 1.00 0.00 C ATOM 1137 O LEU A 73 13.612 2.336 -2.688 1.00 0.00 O ATOM 1138 CB LEU A 73 16.180 1.027 -2.451 1.00 0.00 C ATOM 1139 CG LEU A 73 15.862 -0.366 -1.881 1.00 0.00 C ATOM 1140 CD1 LEU A 73 15.481 -1.299 -3.022 1.00 0.00 C ATOM 1141 CD2 LEU A 73 17.070 -0.945 -1.128 1.00 0.00 C ATOM 0 H LEU A 73 16.651 1.164 -0.014 1.00 0.00 H new ATOM 0 HA LEU A 73 16.088 3.109 -1.972 1.00 0.00 H new ATOM 0 HB2 LEU A 73 15.722 1.121 -3.436 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.257 1.116 -2.591 1.00 0.00 H new ATOM 0 HG LEU A 73 15.034 -0.272 -1.178 1.00 0.00 H new ATOM 0 HD11 LEU A 73 15.255 -2.288 -2.623 1.00 0.00 H new ATOM 0 HD12 LEU A 73 14.604 -0.906 -3.536 1.00 0.00 H new ATOM 0 HD13 LEU A 73 16.311 -1.372 -3.725 1.00 0.00 H new ATOM 0 HD21 LEU A 73 16.816 -1.930 -0.736 1.00 0.00 H new ATOM 0 HD22 LEU A 73 17.916 -1.033 -1.810 1.00 0.00 H new ATOM 0 HD23 LEU A 73 17.336 -0.284 -0.303 1.00 0.00 H new ATOM 1153 N CYS A 74 13.466 2.348 -0.451 1.00 0.00 N ATOM 1154 CA CYS A 74 12.063 2.722 -0.424 1.00 0.00 C ATOM 1155 C CYS A 74 11.814 4.001 0.371 1.00 0.00 C ATOM 1156 O CYS A 74 10.778 4.610 0.139 1.00 0.00 O ATOM 1157 CB CYS A 74 11.199 1.555 0.049 1.00 0.00 C ATOM 1158 SG CYS A 74 9.537 1.748 -0.655 1.00 0.00 S ATOM 0 H CYS A 74 13.857 2.120 0.463 1.00 0.00 H new ATOM 0 HA CYS A 74 11.764 2.953 -1.446 1.00 0.00 H new ATOM 0 HB2 CYS A 74 11.636 0.608 -0.266 1.00 0.00 H new ATOM 0 HB3 CYS A 74 11.150 1.537 1.138 1.00 0.00 H new ATOM 0 HG CYS A 74 8.784 0.762 -0.266 1.00 0.00 H new ATOM 1164 N GLU A 75 12.721 4.481 1.233 1.00 0.00 N ATOM 1165 CA GLU A 75 12.524 5.707 2.010 1.00 0.00 C ATOM 1166 C GLU A 75 12.284 6.894 1.068 1.00 0.00 C ATOM 1167 O GLU A 75 11.509 7.804 1.344 1.00 0.00 O ATOM 1168 CB GLU A 75 13.715 5.923 2.970 1.00 0.00 C ATOM 1169 CG GLU A 75 15.044 6.348 2.324 1.00 0.00 C ATOM 1170 CD GLU A 75 15.618 7.672 2.825 1.00 0.00 C ATOM 1171 OE1 GLU A 75 15.702 7.885 4.054 1.00 0.00 O ATOM 1172 OE2 GLU A 75 16.032 8.502 1.977 1.00 0.00 O ATOM 0 H GLU A 75 13.616 4.025 1.410 1.00 0.00 H new ATOM 0 HA GLU A 75 11.633 5.616 2.632 1.00 0.00 H new ATOM 0 HB2 GLU A 75 13.432 6.681 3.700 1.00 0.00 H new ATOM 0 HB3 GLU A 75 13.883 4.997 3.520 1.00 0.00 H new ATOM 0 HG2 GLU A 75 15.780 5.563 2.496 1.00 0.00 H new ATOM 0 HG3 GLU A 75 14.899 6.418 1.246 1.00 0.00 H new ATOM 1179 N GLU A 76 12.847 6.811 -0.134 1.00 0.00 N ATOM 1180 CA GLU A 76 12.738 7.831 -1.165 1.00 0.00 C ATOM 1181 C GLU A 76 11.346 7.820 -1.827 1.00 0.00 C ATOM 1182 O GLU A 76 11.049 8.636 -2.698 1.00 0.00 O ATOM 1183 CB GLU A 76 13.876 7.642 -2.185 1.00 0.00 C ATOM 1184 CG GLU A 76 14.365 9.007 -2.686 1.00 0.00 C ATOM 1185 CD GLU A 76 15.438 8.935 -3.773 1.00 0.00 C ATOM 1186 OE1 GLU A 76 15.818 7.822 -4.205 1.00 0.00 O ATOM 1187 OE2 GLU A 76 15.859 10.013 -4.256 1.00 0.00 O ATOM 0 H GLU A 76 13.407 6.009 -0.423 1.00 0.00 H new ATOM 0 HA GLU A 76 12.844 8.816 -0.711 1.00 0.00 H new ATOM 0 HB2 GLU A 76 14.701 7.098 -1.725 1.00 0.00 H new ATOM 0 HB3 GLU A 76 13.527 7.041 -3.025 1.00 0.00 H new ATOM 0 HG2 GLU A 76 13.512 9.566 -3.071 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.759 9.571 -1.840 1.00 0.00 H new ATOM 1194 N MET A 77 10.505 6.856 -1.445 1.00 0.00 N ATOM 1195 CA MET A 77 9.169 6.543 -1.911 1.00 0.00 C ATOM 1196 C MET A 77 8.119 6.595 -0.793 1.00 0.00 C ATOM 1197 O MET A 77 6.956 6.269 -1.065 1.00 0.00 O ATOM 1198 CB MET A 77 9.194 5.172 -2.591 1.00 0.00 C ATOM 1199 CG MET A 77 10.367 4.993 -3.576 1.00 0.00 C ATOM 1200 SD MET A 77 10.588 3.339 -4.272 1.00 0.00 S ATOM 1201 CE MET A 77 12.210 3.624 -5.043 1.00 0.00 C ATOM 0 H MET A 77 10.787 6.203 -0.714 1.00 0.00 H new ATOM 0 HA MET A 77 8.868 7.307 -2.628 1.00 0.00 H new ATOM 0 HB2 MET A 77 9.251 4.397 -1.826 1.00 0.00 H new ATOM 0 HB3 MET A 77 8.256 5.024 -3.126 1.00 0.00 H new ATOM 0 HG2 MET A 77 10.232 5.695 -4.399 1.00 0.00 H new ATOM 0 HG3 MET A 77 11.288 5.274 -3.065 1.00 0.00 H new ATOM 0 HE1 MET A 77 12.662 2.667 -5.304 1.00 0.00 H new ATOM 0 HE2 MET A 77 12.084 4.224 -5.944 1.00 0.00 H new ATOM 0 HE3 MET A 77 12.858 4.152 -4.343 1.00 0.00 H new ATOM 1211 N LEU A 78 8.510 6.898 0.455 1.00 0.00 N ATOM 1212 CA LEU A 78 7.674 6.877 1.665 1.00 0.00 C ATOM 1213 C LEU A 78 8.039 8.145 2.443 1.00 0.00 C ATOM 1214 O LEU A 78 7.299 9.117 2.435 1.00 0.00 O ATOM 1215 CB LEU A 78 7.851 5.612 2.540 1.00 0.00 C ATOM 1216 CG LEU A 78 8.045 4.303 1.768 1.00 0.00 C ATOM 1217 CD1 LEU A 78 9.141 3.481 2.436 1.00 0.00 C ATOM 1218 CD2 LEU A 78 6.738 3.523 1.670 1.00 0.00 C ATOM 0 H LEU A 78 9.469 7.179 0.657 1.00 0.00 H new ATOM 0 HA LEU A 78 6.623 6.848 1.379 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.711 5.760 3.193 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.976 5.509 3.182 1.00 0.00 H new ATOM 0 HG LEU A 78 8.352 4.531 0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 78 9.281 2.549 1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 78 10.073 4.047 2.434 1.00 0.00 H new ATOM 0 HD13 LEU A 78 8.854 3.259 3.464 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.906 2.599 1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.380 3.286 2.672 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.993 4.126 1.151 1.00 0.00 H new ATOM 1230 N ASP A 79 9.230 8.193 3.026 1.00 0.00 N ATOM 1231 CA ASP A 79 9.720 9.327 3.803 1.00 0.00 C ATOM 1232 C ASP A 79 9.707 10.568 2.907 1.00 0.00 C ATOM 1233 O ASP A 79 9.129 11.591 3.240 1.00 0.00 O ATOM 1234 CB ASP A 79 11.135 9.073 4.354 1.00 0.00 C ATOM 1235 CG ASP A 79 11.292 7.823 5.240 1.00 0.00 C ATOM 1236 OD1 ASP A 79 10.815 6.725 4.850 1.00 0.00 O ATOM 1237 OD2 ASP A 79 11.917 7.914 6.313 1.00 0.00 O ATOM 0 H ASP A 79 9.900 7.426 2.971 1.00 0.00 H new ATOM 0 HA ASP A 79 9.069 9.476 4.664 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.823 8.988 3.513 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.443 9.945 4.931 1.00 0.00 H new ATOM 1242 N ASN A 80 10.254 10.460 1.702 1.00 0.00 N ATOM 1243 CA ASN A 80 10.268 11.511 0.683 1.00 0.00 C ATOM 1244 C ASN A 80 8.914 11.715 -0.019 1.00 0.00 C ATOM 1245 O ASN A 80 8.793 12.547 -0.921 1.00 0.00 O ATOM 1246 CB ASN A 80 11.328 11.068 -0.311 1.00 0.00 C ATOM 1247 CG ASN A 80 11.587 11.988 -1.499 1.00 0.00 C ATOM 1248 OD1 ASN A 80 11.758 13.195 -1.379 1.00 0.00 O ATOM 1249 ND2 ASN A 80 11.697 11.412 -2.681 1.00 0.00 N ATOM 0 H ASN A 80 10.719 9.606 1.393 1.00 0.00 H new ATOM 0 HA ASN A 80 10.479 12.478 1.140 1.00 0.00 H new ATOM 0 HB2 ASN A 80 12.266 10.939 0.229 1.00 0.00 H new ATOM 0 HB3 ASN A 80 11.044 10.089 -0.696 1.00 0.00 H new ATOM 0 HD21 ASN A 80 11.926 11.972 -3.502 1.00 0.00 H new ATOM 0 HD22 ASN A 80 11.553 10.406 -2.774 1.00 0.00 H new ATOM 1256 N ARG A 81 7.887 10.942 0.335 1.00 0.00 N ATOM 1257 CA ARG A 81 6.570 11.052 -0.278 1.00 0.00 C ATOM 1258 C ARG A 81 5.895 12.338 0.179 1.00 0.00 C ATOM 1259 O ARG A 81 5.330 13.044 -0.658 1.00 0.00 O ATOM 1260 CB ARG A 81 5.729 9.823 0.078 1.00 0.00 C ATOM 1261 CG ARG A 81 4.565 9.628 -0.891 1.00 0.00 C ATOM 1262 CD ARG A 81 5.131 8.838 -2.063 1.00 0.00 C ATOM 1263 NE ARG A 81 4.406 9.096 -3.313 1.00 0.00 N ATOM 1264 CZ ARG A 81 4.351 8.266 -4.353 1.00 0.00 C ATOM 1265 NH1 ARG A 81 4.881 7.051 -4.276 1.00 0.00 N ATOM 1266 NH2 ARG A 81 3.766 8.625 -5.485 1.00 0.00 N ATOM 0 H ARG A 81 7.948 10.223 1.056 1.00 0.00 H new ATOM 0 HA ARG A 81 6.671 11.090 -1.363 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.362 8.935 0.069 1.00 0.00 H new ATOM 0 HB3 ARG A 81 5.343 9.929 1.092 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.746 9.089 -0.415 1.00 0.00 H new ATOM 0 HG3 ARG A 81 4.166 10.587 -1.222 1.00 0.00 H new ATOM 0 HD2 ARG A 81 6.182 9.094 -2.196 1.00 0.00 H new ATOM 0 HD3 ARG A 81 5.088 7.773 -1.834 1.00 0.00 H new ATOM 0 HE ARG A 81 3.905 9.981 -3.391 1.00 0.00 H new ATOM 0 HH11 ARG A 81 5.335 6.746 -3.415 1.00 0.00 H new ATOM 0 HH12 ARG A 81 4.834 6.422 -5.078 1.00 0.00 H new ATOM 0 HH21 ARG A 81 3.348 9.551 -5.571 1.00 0.00 H new ATOM 0 HH22 ARG A 81 3.734 7.975 -6.271 1.00 0.00 H new ATOM 1280 N ALA A 82 5.933 12.626 1.483 1.00 0.00 N ATOM 1281 CA ALA A 82 5.501 13.882 2.097 1.00 0.00 C ATOM 1282 C ALA A 82 6.024 14.007 3.540 1.00 0.00 C ATOM 1283 O ALA A 82 5.424 14.736 4.336 1.00 0.00 O ATOM 1284 CB ALA A 82 3.965 14.013 2.086 1.00 0.00 C ATOM 0 H ALA A 82 6.282 11.958 2.170 1.00 0.00 H new ATOM 0 HA ALA A 82 5.923 14.691 1.501 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.677 14.957 2.549 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.605 13.989 1.057 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.525 13.186 2.644 1.00 0.00 H new ATOM 1290 N THR A 83 7.092 13.292 3.908 1.00 0.00 N ATOM 1291 CA THR A 83 7.608 13.185 5.276 1.00 0.00 C ATOM 1292 C THR A 83 6.519 12.841 6.297 1.00 0.00 C ATOM 1293 O THR A 83 6.330 13.566 7.278 1.00 0.00 O ATOM 1294 CB THR A 83 8.488 14.405 5.623 1.00 0.00 C ATOM 1295 OG1 THR A 83 7.851 15.659 5.444 1.00 0.00 O ATOM 1296 CG2 THR A 83 9.733 14.427 4.735 1.00 0.00 C ATOM 0 H THR A 83 7.640 12.753 3.238 1.00 0.00 H new ATOM 0 HA THR A 83 8.273 12.323 5.333 1.00 0.00 H new ATOM 0 HB THR A 83 8.721 14.282 6.681 1.00 0.00 H new ATOM 0 HG1 THR A 83 6.911 15.517 5.204 1.00 0.00 H new ATOM 0 HG21 THR A 83 10.346 15.292 4.989 1.00 0.00 H new ATOM 0 HG22 THR A 83 10.309 13.515 4.893 1.00 0.00 H new ATOM 0 HG23 THR A 83 9.433 14.490 3.689 1.00 0.00 H new ATOM 1304 N LEU A 84 5.775 11.756 6.048 1.00 0.00 N ATOM 1305 CA LEU A 84 4.686 11.315 6.923 1.00 0.00 C ATOM 1306 C LEU A 84 4.407 9.811 6.815 1.00 0.00 C ATOM 1307 O LEU A 84 3.967 9.194 7.787 1.00 0.00 O ATOM 1308 CB LEU A 84 3.419 12.117 6.547 1.00 0.00 C ATOM 1309 CG LEU A 84 2.505 12.504 7.729 1.00 0.00 C ATOM 1310 CD1 LEU A 84 3.267 13.186 8.874 1.00 0.00 C ATOM 1311 CD2 LEU A 84 1.433 13.498 7.265 1.00 0.00 C ATOM 0 H LEU A 84 5.913 11.159 5.232 1.00 0.00 H new ATOM 0 HA LEU A 84 4.979 11.498 7.957 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.726 13.028 6.033 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.836 11.531 5.836 1.00 0.00 H new ATOM 0 HG LEU A 84 2.072 11.570 8.087 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.572 13.435 9.676 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.033 12.510 9.254 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.737 14.098 8.506 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.794 13.764 8.107 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.913 14.396 6.876 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.829 13.042 6.481 1.00 0.00 H new ATOM 1323 N GLN A 85 4.607 9.264 5.619 1.00 0.00 N ATOM 1324 CA GLN A 85 4.324 7.916 5.160 1.00 0.00 C ATOM 1325 C GLN A 85 5.334 6.928 5.728 1.00 0.00 C ATOM 1326 O GLN A 85 6.538 7.248 5.780 1.00 0.00 O ATOM 1327 CB GLN A 85 4.391 7.888 3.622 1.00 0.00 C ATOM 1328 CG GLN A 85 3.369 8.747 2.881 1.00 0.00 C ATOM 1329 CD GLN A 85 3.641 10.255 2.782 1.00 0.00 C ATOM 1330 OE1 GLN A 85 4.526 10.838 3.403 1.00 0.00 O ATOM 1331 NE2 GLN A 85 2.927 10.911 1.889 1.00 0.00 N ATOM 0 H GLN A 85 5.017 9.820 4.869 1.00 0.00 H new ATOM 0 HA GLN A 85 3.330 7.628 5.502 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.388 8.206 3.318 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.271 6.856 3.294 1.00 0.00 H new ATOM 0 HG2 GLN A 85 3.274 8.356 1.868 1.00 0.00 H new ATOM 0 HG3 GLN A 85 2.402 8.612 3.366 1.00 0.00 H new ATOM 0 HE21 GLN A 85 2.191 10.430 1.371 1.00 0.00 H new ATOM 0 HE22 GLN A 85 3.110 11.899 1.716 1.00 0.00 H new TER 1340 GLN A 85