USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 751 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 Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0.0088 K(o=0.0088,f=-1) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -1 SER OG : rot 23:sc= 1.02 USER MOD Single : A -2 GLY N :NH3+ -109:sc= 0.0799 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -158:sc=-0.00744 (180deg=-0.174) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 180:sc= -0.25 USER MOD Single : A 26 GLN : amide:sc= -0.0122 X(o=-0.012,f=0) USER MOD Single : A 27 CYS SG : rot -170:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 141:sc=-0.00712 (180deg=-0.736) USER MOD Single : A 32 ASN : amide:sc= -0.0124 X(o=-0.012,f=-0.038) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.575 K(o=-0.58,f=-4.6!) USER MOD Single : A 45 THR OG1 : rot 61:sc= 0.379 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot -167:sc= 0.0342 USER MOD Single : A 55 HIS : no HD1:sc= -1.7 X(o=-1.7,f=-1.6) USER MOD Single : A 56 TYR OH : rot 7:sc= -0.581 USER MOD Single : A 58 ASN : amide:sc= -0.0122 X(o=-0.012,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0681 K(o=-0.068,f=-1.9!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0647 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0852 USER MOD Single : A 73 ASN : amide:sc= -1.73 K(o=-1.7,f=-8.1!) USER MOD Single : A 76 LYS NZ :NH3+ 136:sc= 0.0632 (180deg=0) USER MOD Single : A 80 TYR OH : rot 50:sc= 1.27 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00665) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 5.657 -5.544 -0.560 1.00 0.00 N ATOM 2 CA GLY A -2 6.959 -4.920 -0.419 1.00 0.00 C ATOM 3 C GLY A -2 8.072 -5.757 -1.017 1.00 0.00 C ATOM 4 O GLY A -2 7.851 -6.900 -1.418 1.00 0.00 O ATOM 0 H1 GLY A -2 5.094 -5.019 -1.259 1.00 0.00 H new ATOM 0 H2 GLY A -2 5.776 -6.527 -0.879 1.00 0.00 H new ATOM 0 H3 GLY A -2 5.166 -5.535 0.357 1.00 0.00 H new ATOM 0 HA2 GLY A -2 6.944 -3.943 -0.902 1.00 0.00 H new ATOM 0 HA3 GLY A -2 7.164 -4.750 0.638 1.00 0.00 H new ATOM 8 N SER A -1 9.272 -5.188 -1.078 1.00 0.00 N ATOM 9 CA SER A -1 10.422 -5.888 -1.637 1.00 0.00 C ATOM 10 C SER A -1 11.726 -5.247 -1.173 1.00 0.00 C ATOM 11 O SER A -1 11.767 -4.060 -0.848 1.00 0.00 O ATOM 12 CB SER A -1 10.355 -5.886 -3.165 1.00 0.00 C ATOM 13 OG SER A -1 9.471 -6.887 -3.639 1.00 0.00 O ATOM 0 H SER A -1 9.473 -4.244 -0.747 1.00 0.00 H new ATOM 0 HA SER A -1 10.397 -6.918 -1.281 1.00 0.00 H new ATOM 0 HB2 SER A -1 10.024 -4.909 -3.516 1.00 0.00 H new ATOM 0 HB3 SER A -1 11.351 -6.052 -3.576 1.00 0.00 H new ATOM 0 HG SER A -1 8.827 -7.115 -2.936 1.00 0.00 H new ATOM 19 N HIS A 0 12.792 -6.041 -1.144 1.00 0.00 N ATOM 20 CA HIS A 0 14.099 -5.552 -0.720 1.00 0.00 C ATOM 21 C HIS A 0 15.051 -5.446 -1.907 1.00 0.00 C ATOM 22 O HIS A 0 15.593 -6.449 -2.372 1.00 0.00 O ATOM 23 CB HIS A 0 14.693 -6.477 0.344 1.00 0.00 C ATOM 24 CG HIS A 0 13.814 -6.650 1.544 1.00 0.00 C ATOM 25 ND1 HIS A 0 12.884 -7.661 1.656 1.00 0.00 N ATOM 26 CD2 HIS A 0 13.730 -5.935 2.691 1.00 0.00 C ATOM 27 CE1 HIS A 0 12.264 -7.560 2.818 1.00 0.00 C ATOM 28 NE2 HIS A 0 12.759 -6.520 3.465 1.00 0.00 N ATOM 0 H HIS A 0 12.776 -7.026 -1.409 1.00 0.00 H new ATOM 0 HA HIS A 0 13.966 -4.558 -0.293 1.00 0.00 H new ATOM 0 HB2 HIS A 0 14.884 -7.454 -0.101 1.00 0.00 H new ATOM 0 HB3 HIS A 0 15.656 -6.079 0.663 1.00 0.00 H new ATOM 0 HD2 HIS A 0 14.318 -5.066 2.949 1.00 0.00 H new ATOM 0 HE1 HIS A 0 11.485 -8.216 3.178 1.00 0.00 H new ATOM 0 HE2 HIS A 0 12.467 -6.203 4.390 1.00 0.00 H new ATOM 36 N MET A 1 15.248 -4.225 -2.394 1.00 0.00 N ATOM 37 CA MET A 1 16.135 -3.989 -3.528 1.00 0.00 C ATOM 38 C MET A 1 16.857 -2.653 -3.384 1.00 0.00 C ATOM 39 O MET A 1 16.242 -1.637 -3.060 1.00 0.00 O ATOM 40 CB MET A 1 15.343 -4.016 -4.836 1.00 0.00 C ATOM 41 CG MET A 1 14.413 -5.212 -4.960 1.00 0.00 C ATOM 42 SD MET A 1 13.740 -5.401 -6.622 1.00 0.00 S ATOM 43 CE MET A 1 12.286 -4.360 -6.518 1.00 0.00 C ATOM 0 H MET A 1 14.806 -3.384 -2.022 1.00 0.00 H new ATOM 0 HA MET A 1 16.880 -4.784 -3.547 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.756 -3.101 -4.915 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.041 -4.021 -5.673 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.954 -6.118 -4.686 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.593 -5.104 -4.250 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.760 -4.373 -7.473 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.626 -4.734 -5.735 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.586 -3.339 -6.283 1.00 0.00 H new ATOM 53 N SER A 2 18.163 -2.663 -3.627 1.00 0.00 N ATOM 54 CA SER A 2 18.969 -1.452 -3.520 1.00 0.00 C ATOM 55 C SER A 2 18.759 -0.551 -4.733 1.00 0.00 C ATOM 56 O SER A 2 18.918 -0.981 -5.876 1.00 0.00 O ATOM 57 CB SER A 2 20.451 -1.810 -3.388 1.00 0.00 C ATOM 58 OG SER A 2 20.667 -2.694 -2.301 1.00 0.00 O ATOM 0 H SER A 2 18.686 -3.495 -3.899 1.00 0.00 H new ATOM 0 HA SER A 2 18.652 -0.912 -2.628 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.801 -2.272 -4.311 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.036 -0.902 -3.244 1.00 0.00 H new ATOM 0 HG SER A 2 21.621 -2.909 -2.239 1.00 0.00 H new ATOM 64 N HIS A 3 18.400 0.703 -4.476 1.00 0.00 N ATOM 65 CA HIS A 3 18.167 1.667 -5.546 1.00 0.00 C ATOM 66 C HIS A 3 19.011 2.921 -5.339 1.00 0.00 C ATOM 67 O HIS A 3 19.804 3.000 -4.401 1.00 0.00 O ATOM 68 CB HIS A 3 16.686 2.039 -5.612 1.00 0.00 C ATOM 69 CG HIS A 3 16.211 2.820 -4.426 1.00 0.00 C ATOM 70 ND1 HIS A 3 16.229 2.322 -3.141 1.00 0.00 N ATOM 71 CD2 HIS A 3 15.704 4.072 -4.336 1.00 0.00 C ATOM 72 CE1 HIS A 3 15.752 3.233 -2.311 1.00 0.00 C ATOM 73 NE2 HIS A 3 15.427 4.305 -3.011 1.00 0.00 N ATOM 0 H HIS A 3 18.264 1.075 -3.536 1.00 0.00 H new ATOM 0 HA HIS A 3 18.459 1.205 -6.489 1.00 0.00 H new ATOM 0 HB2 HIS A 3 16.506 2.621 -6.516 1.00 0.00 H new ATOM 0 HB3 HIS A 3 16.094 1.127 -5.697 1.00 0.00 H new ATOM 0 HD2 HIS A 3 15.547 4.760 -5.154 1.00 0.00 H new ATOM 0 HE1 HIS A 3 15.646 3.120 -1.242 1.00 0.00 H new ATOM 0 HE2 HIS A 3 15.034 5.166 -2.630 1.00 0.00 H new ATOM 81 N ASP A 4 18.835 3.898 -6.222 1.00 0.00 N ATOM 82 CA ASP A 4 19.580 5.149 -6.137 1.00 0.00 C ATOM 83 C ASP A 4 18.639 6.327 -5.905 1.00 0.00 C ATOM 84 O ASP A 4 17.855 6.690 -6.781 1.00 0.00 O ATOM 85 CB ASP A 4 20.392 5.372 -7.414 1.00 0.00 C ATOM 86 CG ASP A 4 19.550 5.230 -8.667 1.00 0.00 C ATOM 87 OD1 ASP A 4 19.406 4.091 -9.160 1.00 0.00 O ATOM 88 OD2 ASP A 4 19.035 6.258 -9.155 1.00 0.00 O ATOM 0 H ASP A 4 18.183 3.848 -7.005 1.00 0.00 H new ATOM 0 HA ASP A 4 20.262 5.080 -5.290 1.00 0.00 H new ATOM 0 HB2 ASP A 4 20.837 6.367 -7.389 1.00 0.00 H new ATOM 0 HB3 ASP A 4 21.213 4.656 -7.449 1.00 0.00 H new ATOM 93 N GLY A 5 18.723 6.920 -4.718 1.00 0.00 N ATOM 94 CA GLY A 5 17.873 8.050 -4.392 1.00 0.00 C ATOM 95 C GLY A 5 18.531 9.009 -3.420 1.00 0.00 C ATOM 96 O GLY A 5 18.899 8.625 -2.310 1.00 0.00 O ATOM 0 H GLY A 5 19.364 6.638 -3.977 1.00 0.00 H new ATOM 0 HA2 GLY A 5 17.617 8.584 -5.307 1.00 0.00 H new ATOM 0 HA3 GLY A 5 16.939 7.686 -3.963 1.00 0.00 H new ATOM 100 N LYS A 6 18.682 10.261 -3.837 1.00 0.00 N ATOM 101 CA LYS A 6 19.300 11.279 -2.997 1.00 0.00 C ATOM 102 C LYS A 6 18.436 12.535 -2.937 1.00 0.00 C ATOM 103 O LYS A 6 18.172 13.166 -3.960 1.00 0.00 O ATOM 104 CB LYS A 6 20.693 11.630 -3.526 1.00 0.00 C ATOM 105 CG LYS A 6 21.728 10.547 -3.279 1.00 0.00 C ATOM 106 CD LYS A 6 21.960 10.326 -1.793 1.00 0.00 C ATOM 107 CE LYS A 6 23.252 9.565 -1.538 1.00 0.00 C ATOM 108 NZ LYS A 6 24.443 10.456 -1.608 1.00 0.00 N ATOM 0 H LYS A 6 18.384 10.595 -4.753 1.00 0.00 H new ATOM 0 HA LYS A 6 19.392 10.875 -1.989 1.00 0.00 H new ATOM 0 HB2 LYS A 6 20.628 11.821 -4.597 1.00 0.00 H new ATOM 0 HB3 LYS A 6 21.028 12.555 -3.057 1.00 0.00 H new ATOM 0 HG2 LYS A 6 21.398 9.616 -3.739 1.00 0.00 H new ATOM 0 HG3 LYS A 6 22.667 10.824 -3.758 1.00 0.00 H new ATOM 0 HD2 LYS A 6 21.996 11.288 -1.282 1.00 0.00 H new ATOM 0 HD3 LYS A 6 21.121 9.773 -1.371 1.00 0.00 H new ATOM 0 HE2 LYS A 6 23.208 9.094 -0.556 1.00 0.00 H new ATOM 0 HE3 LYS A 6 23.353 8.765 -2.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 25.303 9.900 -1.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 24.499 10.886 -2.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 24.359 11.205 -0.891 1.00 0.00 H new ATOM 122 N GLU A 7 18.000 12.892 -1.733 1.00 0.00 N ATOM 123 CA GLU A 7 17.166 14.072 -1.542 1.00 0.00 C ATOM 124 C GLU A 7 17.745 14.977 -0.458 1.00 0.00 C ATOM 125 O GLU A 7 18.201 14.503 0.581 1.00 0.00 O ATOM 126 CB GLU A 7 15.740 13.662 -1.172 1.00 0.00 C ATOM 127 CG GLU A 7 14.714 14.763 -1.387 1.00 0.00 C ATOM 128 CD GLU A 7 14.660 15.237 -2.826 1.00 0.00 C ATOM 129 OE1 GLU A 7 14.047 14.536 -3.658 1.00 0.00 O ATOM 130 OE2 GLU A 7 15.231 16.308 -3.121 1.00 0.00 O ATOM 0 H GLU A 7 18.211 12.381 -0.876 1.00 0.00 H new ATOM 0 HA GLU A 7 17.144 14.626 -2.480 1.00 0.00 H new ATOM 0 HB2 GLU A 7 15.456 12.792 -1.764 1.00 0.00 H new ATOM 0 HB3 GLU A 7 15.719 13.357 -0.126 1.00 0.00 H new ATOM 0 HG2 GLU A 7 13.730 14.400 -1.091 1.00 0.00 H new ATOM 0 HG3 GLU A 7 14.951 15.607 -0.739 1.00 0.00 H new ATOM 137 N GLU A 8 17.722 16.283 -0.711 1.00 0.00 N ATOM 138 CA GLU A 8 18.245 17.254 0.243 1.00 0.00 C ATOM 139 C GLU A 8 17.625 17.050 1.622 1.00 0.00 C ATOM 140 O GLU A 8 16.572 16.430 1.772 1.00 0.00 O ATOM 141 CB GLU A 8 17.974 18.678 -0.246 1.00 0.00 C ATOM 142 CG GLU A 8 19.061 19.227 -1.154 1.00 0.00 C ATOM 143 CD GLU A 8 20.026 20.141 -0.423 1.00 0.00 C ATOM 144 OE1 GLU A 8 19.710 21.340 -0.273 1.00 0.00 O ATOM 145 OE2 GLU A 8 21.096 19.656 0.000 1.00 0.00 O ATOM 0 H GLU A 8 17.347 16.692 -1.567 1.00 0.00 H new ATOM 0 HA GLU A 8 19.322 17.104 0.323 1.00 0.00 H new ATOM 0 HB2 GLU A 8 17.024 18.695 -0.780 1.00 0.00 H new ATOM 0 HB3 GLU A 8 17.867 19.335 0.617 1.00 0.00 H new ATOM 0 HG2 GLU A 8 19.615 18.398 -1.594 1.00 0.00 H new ATOM 0 HG3 GLU A 8 18.600 19.774 -1.976 1.00 0.00 H new ATOM 152 N PRO A 9 18.293 17.585 2.655 1.00 0.00 N ATOM 153 CA PRO A 9 17.826 17.476 4.041 1.00 0.00 C ATOM 154 C PRO A 9 16.572 18.304 4.297 1.00 0.00 C ATOM 155 O PRO A 9 16.166 19.109 3.460 1.00 0.00 O ATOM 156 CB PRO A 9 19.002 18.022 4.855 1.00 0.00 C ATOM 157 CG PRO A 9 19.718 18.935 3.920 1.00 0.00 C ATOM 158 CD PRO A 9 19.554 18.337 2.550 1.00 0.00 C ATOM 0 HA PRO A 9 17.549 16.454 4.299 1.00 0.00 H new ATOM 0 HB2 PRO A 9 18.657 18.554 5.741 1.00 0.00 H new ATOM 0 HB3 PRO A 9 19.653 17.218 5.199 1.00 0.00 H new ATOM 0 HG2 PRO A 9 19.299 19.941 3.959 1.00 0.00 H new ATOM 0 HG3 PRO A 9 20.772 19.018 4.186 1.00 0.00 H new ATOM 0 HD2 PRO A 9 19.500 19.106 1.780 1.00 0.00 H new ATOM 0 HD3 PRO A 9 20.390 17.686 2.293 1.00 0.00 H new ATOM 166 N GLY A 10 15.961 18.100 5.460 1.00 0.00 N ATOM 167 CA GLY A 10 14.759 18.835 5.806 1.00 0.00 C ATOM 168 C GLY A 10 13.513 17.974 5.740 1.00 0.00 C ATOM 169 O GLY A 10 13.193 17.414 4.691 1.00 0.00 O ATOM 0 H GLY A 10 16.277 17.438 6.169 1.00 0.00 H new ATOM 0 HA2 GLY A 10 14.863 19.242 6.812 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.648 19.682 5.129 1.00 0.00 H new ATOM 173 N ILE A 11 12.811 17.866 6.863 1.00 0.00 N ATOM 174 CA ILE A 11 11.594 17.066 6.928 1.00 0.00 C ATOM 175 C ILE A 11 10.363 17.949 7.100 1.00 0.00 C ATOM 176 O ILE A 11 10.285 18.747 8.034 1.00 0.00 O ATOM 177 CB ILE A 11 11.649 16.050 8.085 1.00 0.00 C ATOM 178 CG1 ILE A 11 12.951 15.249 8.027 1.00 0.00 C ATOM 179 CG2 ILE A 11 10.446 15.121 8.031 1.00 0.00 C ATOM 180 CD1 ILE A 11 14.057 15.831 8.880 1.00 0.00 C ATOM 0 H ILE A 11 13.064 18.322 7.740 1.00 0.00 H new ATOM 0 HA ILE A 11 11.521 16.526 5.984 1.00 0.00 H new ATOM 0 HB ILE A 11 11.621 16.594 9.029 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.754 14.227 8.350 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.290 15.197 6.992 1.00 0.00 H new ATOM 0 HG21 ILE A 11 10.499 14.409 8.855 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.530 15.706 8.116 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.445 14.581 7.084 1.00 0.00 H new ATOM 0 HD11 ILE A 11 14.950 15.212 8.790 1.00 0.00 H new ATOM 0 HD12 ILE A 11 14.282 16.843 8.543 1.00 0.00 H new ATOM 0 HD13 ILE A 11 13.737 15.858 9.922 1.00 0.00 H new ATOM 192 N ALA A 12 9.403 17.800 6.194 1.00 0.00 N ATOM 193 CA ALA A 12 8.174 18.582 6.247 1.00 0.00 C ATOM 194 C ALA A 12 6.977 17.700 6.585 1.00 0.00 C ATOM 195 O ALA A 12 6.558 16.868 5.780 1.00 0.00 O ATOM 196 CB ALA A 12 7.946 19.299 4.925 1.00 0.00 C ATOM 0 H ALA A 12 9.452 17.145 5.414 1.00 0.00 H new ATOM 0 HA ALA A 12 8.280 19.325 7.037 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.025 19.879 4.980 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.784 19.967 4.724 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.866 18.566 4.122 1.00 0.00 H new ATOM 202 N LYS A 13 6.429 17.886 7.782 1.00 0.00 N ATOM 203 CA LYS A 13 5.279 17.109 8.227 1.00 0.00 C ATOM 204 C LYS A 13 4.207 18.016 8.822 1.00 0.00 C ATOM 205 O LYS A 13 4.511 19.059 9.401 1.00 0.00 O ATOM 206 CB LYS A 13 5.712 16.067 9.262 1.00 0.00 C ATOM 207 CG LYS A 13 6.174 16.671 10.576 1.00 0.00 C ATOM 208 CD LYS A 13 6.309 15.613 11.659 1.00 0.00 C ATOM 209 CE LYS A 13 7.655 14.909 11.585 1.00 0.00 C ATOM 210 NZ LYS A 13 8.050 14.327 12.898 1.00 0.00 N ATOM 0 H LYS A 13 6.764 18.569 8.461 1.00 0.00 H new ATOM 0 HA LYS A 13 4.859 16.599 7.360 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.879 15.391 9.455 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.520 15.466 8.844 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.133 17.169 10.431 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.464 17.433 10.897 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.193 16.077 12.639 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.508 14.881 11.556 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.611 14.118 10.836 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.417 15.616 11.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.973 13.856 12.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.117 15.085 13.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.336 13.633 13.199 1.00 0.00 H new ATOM 224 N LYS A 14 2.949 17.611 8.676 1.00 0.00 N ATOM 225 CA LYS A 14 1.831 18.385 9.201 1.00 0.00 C ATOM 226 C LYS A 14 1.351 17.814 10.532 1.00 0.00 C ATOM 227 O LYS A 14 0.975 16.644 10.616 1.00 0.00 O ATOM 228 CB LYS A 14 0.678 18.400 8.195 1.00 0.00 C ATOM 229 CG LYS A 14 0.931 19.293 6.993 1.00 0.00 C ATOM 230 CD LYS A 14 1.894 18.647 6.011 1.00 0.00 C ATOM 231 CE LYS A 14 1.332 18.648 4.597 1.00 0.00 C ATOM 232 NZ LYS A 14 0.119 17.791 4.482 1.00 0.00 N ATOM 0 H LYS A 14 2.679 16.751 8.198 1.00 0.00 H new ATOM 0 HA LYS A 14 2.174 19.406 9.367 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.495 17.383 7.849 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.229 18.733 8.700 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.013 19.506 6.492 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.337 20.248 7.327 1.00 0.00 H new ATOM 0 HD2 LYS A 14 2.844 19.181 6.027 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.099 17.623 6.321 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.085 19.669 4.305 1.00 0.00 H new ATOM 0 HE3 LYS A 14 2.094 18.294 3.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.017 17.513 3.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.239 16.939 5.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.713 18.321 4.810 1.00 0.00 H new ATOM 246 N ILE A 15 1.364 18.647 11.567 1.00 0.00 N ATOM 247 CA ILE A 15 0.927 18.225 12.892 1.00 0.00 C ATOM 248 C ILE A 15 -0.221 19.093 13.394 1.00 0.00 C ATOM 249 O ILE A 15 -0.497 20.157 12.842 1.00 0.00 O ATOM 250 CB ILE A 15 2.082 18.282 13.910 1.00 0.00 C ATOM 251 CG1 ILE A 15 2.685 19.687 13.952 1.00 0.00 C ATOM 252 CG2 ILE A 15 3.147 17.253 13.560 1.00 0.00 C ATOM 253 CD1 ILE A 15 2.998 20.168 15.351 1.00 0.00 C ATOM 0 H ILE A 15 1.672 19.618 11.514 1.00 0.00 H new ATOM 0 HA ILE A 15 0.586 17.194 12.799 1.00 0.00 H new ATOM 0 HB ILE A 15 1.688 18.047 14.899 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.600 19.699 13.359 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.992 20.385 13.483 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.957 17.305 14.288 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.708 16.255 13.576 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.540 17.460 12.565 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.423 21.171 15.304 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.082 20.189 15.942 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.715 19.492 15.816 1.00 0.00 H new ATOM 265 N ASN A 16 -0.888 18.631 14.448 1.00 0.00 N ATOM 266 CA ASN A 16 -2.006 19.366 15.027 1.00 0.00 C ATOM 267 C ASN A 16 -1.849 19.495 16.539 1.00 0.00 C ATOM 268 O ASN A 16 -2.822 19.721 17.258 1.00 0.00 O ATOM 269 CB ASN A 16 -3.327 18.667 14.698 1.00 0.00 C ATOM 270 CG ASN A 16 -4.497 19.631 14.659 1.00 0.00 C ATOM 271 OD1 ASN A 16 -5.331 19.650 15.564 1.00 0.00 O ATOM 272 ND2 ASN A 16 -4.564 20.438 13.606 1.00 0.00 N ATOM 0 H ASN A 16 -0.673 17.751 14.918 1.00 0.00 H new ATOM 0 HA ASN A 16 -2.013 20.366 14.594 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -3.240 18.167 13.734 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -3.521 17.894 15.442 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -5.329 21.108 13.525 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -3.850 20.388 12.879 1.00 0.00 H new ATOM 279 N SER A 17 -0.616 19.349 17.014 1.00 0.00 N ATOM 280 CA SER A 17 -0.331 19.446 18.441 1.00 0.00 C ATOM 281 C SER A 17 0.975 20.196 18.684 1.00 0.00 C ATOM 282 O SER A 17 1.996 19.907 18.061 1.00 0.00 O ATOM 283 CB SER A 17 -0.254 18.050 19.063 1.00 0.00 C ATOM 284 OG SER A 17 -1.335 17.241 18.635 1.00 0.00 O ATOM 0 H SER A 17 0.201 19.163 16.432 1.00 0.00 H new ATOM 0 HA SER A 17 -1.142 20.002 18.912 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.689 17.577 18.788 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.265 18.132 20.150 1.00 0.00 H new ATOM 0 HG SER A 17 -1.262 16.354 19.045 1.00 0.00 H new ATOM 290 N VAL A 18 0.934 21.163 19.596 1.00 0.00 N ATOM 291 CA VAL A 18 2.114 21.955 19.924 1.00 0.00 C ATOM 292 C VAL A 18 3.078 21.167 20.803 1.00 0.00 C ATOM 293 O VAL A 18 4.189 21.617 21.082 1.00 0.00 O ATOM 294 CB VAL A 18 1.730 23.261 20.645 1.00 0.00 C ATOM 295 CG1 VAL A 18 0.724 24.050 19.821 1.00 0.00 C ATOM 296 CG2 VAL A 18 1.179 22.962 22.031 1.00 0.00 C ATOM 0 H VAL A 18 0.097 21.417 20.120 1.00 0.00 H new ATOM 0 HA VAL A 18 2.604 22.199 18.981 1.00 0.00 H new ATOM 0 HB VAL A 18 2.627 23.870 20.759 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.465 24.969 20.346 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.160 24.296 18.853 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.174 23.451 19.673 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.913 23.896 22.526 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.293 22.333 21.942 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.936 22.442 22.619 1.00 0.00 H new ATOM 306 N ASP A 19 2.646 19.988 21.236 1.00 0.00 N ATOM 307 CA ASP A 19 3.472 19.135 22.083 1.00 0.00 C ATOM 308 C ASP A 19 4.728 18.686 21.342 1.00 0.00 C ATOM 309 O ASP A 19 5.813 18.627 21.920 1.00 0.00 O ATOM 310 CB ASP A 19 2.675 17.915 22.547 1.00 0.00 C ATOM 311 CG ASP A 19 1.534 18.286 23.474 1.00 0.00 C ATOM 312 OD1 ASP A 19 0.502 18.781 22.975 1.00 0.00 O ATOM 313 OD2 ASP A 19 1.674 18.083 24.698 1.00 0.00 O ATOM 0 H ASP A 19 1.729 19.601 21.015 1.00 0.00 H new ATOM 0 HA ASP A 19 3.774 19.715 22.955 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.277 17.393 21.677 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.343 17.221 23.058 1.00 0.00 H new ATOM 318 N ASP A 20 4.572 18.371 20.062 1.00 0.00 N ATOM 319 CA ASP A 20 5.693 17.927 19.241 1.00 0.00 C ATOM 320 C ASP A 20 6.485 19.119 18.714 1.00 0.00 C ATOM 321 O ASP A 20 6.675 19.265 17.506 1.00 0.00 O ATOM 322 CB ASP A 20 5.192 17.075 18.074 1.00 0.00 C ATOM 323 CG ASP A 20 6.189 16.007 17.667 1.00 0.00 C ATOM 324 OD1 ASP A 20 7.407 16.265 17.765 1.00 0.00 O ATOM 325 OD2 ASP A 20 5.752 14.915 17.249 1.00 0.00 O ATOM 0 H ASP A 20 3.680 18.415 19.569 1.00 0.00 H new ATOM 0 HA ASP A 20 6.352 17.323 19.865 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.250 16.602 18.351 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.985 17.720 17.220 1.00 0.00 H new ATOM 330 N ILE A 21 6.944 19.968 19.627 1.00 0.00 N ATOM 331 CA ILE A 21 7.716 21.147 19.254 1.00 0.00 C ATOM 332 C ILE A 21 9.058 21.177 19.978 1.00 0.00 C ATOM 333 O ILE A 21 9.110 21.257 21.205 1.00 0.00 O ATOM 334 CB ILE A 21 6.948 22.445 19.565 1.00 0.00 C ATOM 335 CG1 ILE A 21 5.656 22.507 18.748 1.00 0.00 C ATOM 336 CG2 ILE A 21 7.820 23.658 19.280 1.00 0.00 C ATOM 337 CD1 ILE A 21 4.788 23.700 19.080 1.00 0.00 C ATOM 0 H ILE A 21 6.795 19.862 20.630 1.00 0.00 H new ATOM 0 HA ILE A 21 7.887 21.085 18.179 1.00 0.00 H new ATOM 0 HB ILE A 21 6.687 22.450 20.623 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.907 22.534 17.688 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.085 21.594 18.917 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.263 24.568 19.505 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.714 23.617 19.902 1.00 0.00 H new ATOM 0 HG23 ILE A 21 8.109 23.660 18.229 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.890 23.679 18.463 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.506 23.663 20.132 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.341 24.618 18.884 1.00 0.00 H new ATOM 349 N ILE A 22 10.140 21.115 19.209 1.00 0.00 N ATOM 350 CA ILE A 22 11.482 21.139 19.777 1.00 0.00 C ATOM 351 C ILE A 22 12.228 22.405 19.373 1.00 0.00 C ATOM 352 O ILE A 22 11.681 23.267 18.684 1.00 0.00 O ATOM 353 CB ILE A 22 12.302 19.911 19.337 1.00 0.00 C ATOM 354 CG1 ILE A 22 12.276 19.773 17.814 1.00 0.00 C ATOM 355 CG2 ILE A 22 11.763 18.651 19.998 1.00 0.00 C ATOM 356 CD1 ILE A 22 13.391 18.910 17.266 1.00 0.00 C ATOM 0 H ILE A 22 10.113 21.048 18.192 1.00 0.00 H new ATOM 0 HA ILE A 22 11.366 21.119 20.861 1.00 0.00 H new ATOM 0 HB ILE A 22 13.336 20.050 19.653 1.00 0.00 H new ATOM 0 HG12 ILE A 22 11.318 19.350 17.512 1.00 0.00 H new ATOM 0 HG13 ILE A 22 12.342 20.765 17.366 1.00 0.00 H new ATOM 0 HG21 ILE A 22 12.352 17.792 19.678 1.00 0.00 H new ATOM 0 HG22 ILE A 22 11.828 18.752 21.081 1.00 0.00 H new ATOM 0 HG23 ILE A 22 10.722 18.505 19.709 1.00 0.00 H new ATOM 0 HD11 ILE A 22 13.310 18.857 16.180 1.00 0.00 H new ATOM 0 HD12 ILE A 22 14.354 19.344 17.537 1.00 0.00 H new ATOM 0 HD13 ILE A 22 13.314 17.907 17.685 1.00 0.00 H new ATOM 368 N ILE A 23 13.481 22.511 19.803 1.00 0.00 N ATOM 369 CA ILE A 23 14.303 23.671 19.483 1.00 0.00 C ATOM 370 C ILE A 23 14.676 23.690 18.005 1.00 0.00 C ATOM 371 O ILE A 23 14.930 24.748 17.430 1.00 0.00 O ATOM 372 CB ILE A 23 15.592 23.698 20.327 1.00 0.00 C ATOM 373 CG1 ILE A 23 15.254 23.869 21.809 1.00 0.00 C ATOM 374 CG2 ILE A 23 16.510 24.815 19.855 1.00 0.00 C ATOM 375 CD1 ILE A 23 14.931 22.568 22.510 1.00 0.00 C ATOM 0 H ILE A 23 13.949 21.807 20.374 1.00 0.00 H new ATOM 0 HA ILE A 23 13.707 24.554 19.716 1.00 0.00 H new ATOM 0 HB ILE A 23 16.112 22.749 20.200 1.00 0.00 H new ATOM 0 HG12 ILE A 23 16.096 24.344 22.313 1.00 0.00 H new ATOM 0 HG13 ILE A 23 14.403 24.544 21.904 1.00 0.00 H new ATOM 0 HG21 ILE A 23 17.416 24.822 20.461 1.00 0.00 H new ATOM 0 HG22 ILE A 23 16.773 24.652 18.810 1.00 0.00 H new ATOM 0 HG23 ILE A 23 15.999 25.773 19.956 1.00 0.00 H new ATOM 0 HD11 ILE A 23 14.701 22.766 23.557 1.00 0.00 H new ATOM 0 HD12 ILE A 23 14.070 22.101 22.032 1.00 0.00 H new ATOM 0 HD13 ILE A 23 15.789 21.898 22.447 1.00 0.00 H new ATOM 387 N LYS A 24 14.705 22.511 17.393 1.00 0.00 N ATOM 388 CA LYS A 24 15.043 22.390 15.980 1.00 0.00 C ATOM 389 C LYS A 24 13.786 22.398 15.117 1.00 0.00 C ATOM 390 O LYS A 24 13.856 22.227 13.899 1.00 0.00 O ATOM 391 CB LYS A 24 15.836 21.104 15.732 1.00 0.00 C ATOM 392 CG LYS A 24 17.270 21.169 16.230 1.00 0.00 C ATOM 393 CD LYS A 24 17.398 20.603 17.635 1.00 0.00 C ATOM 394 CE LYS A 24 18.851 20.334 17.996 1.00 0.00 C ATOM 395 NZ LYS A 24 18.974 19.328 19.087 1.00 0.00 N ATOM 0 H LYS A 24 14.498 21.625 17.854 1.00 0.00 H new ATOM 0 HA LYS A 24 15.657 23.247 15.705 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.327 20.273 16.221 1.00 0.00 H new ATOM 0 HB3 LYS A 24 15.841 20.890 14.663 1.00 0.00 H new ATOM 0 HG2 LYS A 24 17.917 20.613 15.552 1.00 0.00 H new ATOM 0 HG3 LYS A 24 17.613 22.204 16.221 1.00 0.00 H new ATOM 0 HD2 LYS A 24 16.967 21.303 18.351 1.00 0.00 H new ATOM 0 HD3 LYS A 24 16.826 19.678 17.710 1.00 0.00 H new ATOM 0 HE2 LYS A 24 19.385 19.980 17.114 1.00 0.00 H new ATOM 0 HE3 LYS A 24 19.327 21.265 18.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 19.979 19.172 19.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 18.486 19.676 19.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 18.543 18.432 18.783 1.00 0.00 H new ATOM 409 N CYS A 25 12.638 22.598 15.754 1.00 0.00 N ATOM 410 CA CYS A 25 11.364 22.629 15.044 1.00 0.00 C ATOM 411 C CYS A 25 11.063 24.033 14.528 1.00 0.00 C ATOM 412 O CYS A 25 11.303 25.022 15.220 1.00 0.00 O ATOM 413 CB CYS A 25 10.234 22.155 15.959 1.00 0.00 C ATOM 414 SG CYS A 25 8.576 22.496 15.322 1.00 0.00 S ATOM 0 H CYS A 25 12.563 22.741 16.761 1.00 0.00 H new ATOM 0 HA CYS A 25 11.436 21.955 14.190 1.00 0.00 H new ATOM 0 HB2 CYS A 25 10.336 21.082 16.119 1.00 0.00 H new ATOM 0 HB3 CYS A 25 10.343 22.634 16.932 1.00 0.00 H new ATOM 0 HG CYS A 25 7.689 22.056 16.164 1.00 0.00 H new ATOM 420 N GLN A 26 10.537 24.110 13.310 1.00 0.00 N ATOM 421 CA GLN A 26 10.206 25.393 12.702 1.00 0.00 C ATOM 422 C GLN A 26 8.739 25.436 12.287 1.00 0.00 C ATOM 423 O GLN A 26 8.253 24.542 11.593 1.00 0.00 O ATOM 424 CB GLN A 26 11.099 25.652 11.488 1.00 0.00 C ATOM 425 CG GLN A 26 12.582 25.695 11.821 1.00 0.00 C ATOM 426 CD GLN A 26 13.453 25.842 10.589 1.00 0.00 C ATOM 427 OE1 GLN A 26 14.344 25.028 10.344 1.00 0.00 O ATOM 428 NE2 GLN A 26 13.200 26.884 9.806 1.00 0.00 N ATOM 0 H GLN A 26 10.331 23.300 12.725 1.00 0.00 H new ATOM 0 HA GLN A 26 10.378 26.173 13.444 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.924 24.873 10.746 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.810 26.598 11.030 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.774 26.527 12.499 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.858 24.783 12.350 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.452 27.534 10.048 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.754 27.035 8.963 1.00 0.00 H new ATOM 437 N CYS A 27 8.038 26.480 12.717 1.00 0.00 N ATOM 438 CA CYS A 27 6.625 26.638 12.391 1.00 0.00 C ATOM 439 C CYS A 27 6.335 28.055 11.904 1.00 0.00 C ATOM 440 O CYS A 27 7.253 28.842 11.674 1.00 0.00 O ATOM 441 CB CYS A 27 5.760 26.318 13.611 1.00 0.00 C ATOM 442 SG CYS A 27 5.884 27.534 14.943 1.00 0.00 S ATOM 0 H CYS A 27 8.425 27.229 13.292 1.00 0.00 H new ATOM 0 HA CYS A 27 6.382 25.941 11.589 1.00 0.00 H new ATOM 0 HB2 CYS A 27 4.719 26.245 13.296 1.00 0.00 H new ATOM 0 HB3 CYS A 27 6.045 25.340 13.999 1.00 0.00 H new ATOM 0 HG CYS A 27 5.288 27.077 16.004 1.00 0.00 H new ATOM 448 N TRP A 28 5.055 28.370 11.749 1.00 0.00 N ATOM 449 CA TRP A 28 4.644 29.692 11.288 1.00 0.00 C ATOM 450 C TRP A 28 3.828 30.412 12.356 1.00 0.00 C ATOM 451 O TRP A 28 2.963 29.815 12.997 1.00 0.00 O ATOM 452 CB TRP A 28 3.829 29.574 9.999 1.00 0.00 C ATOM 453 CG TRP A 28 4.655 29.198 8.806 1.00 0.00 C ATOM 454 CD1 TRP A 28 5.101 27.950 8.479 1.00 0.00 C ATOM 455 CD2 TRP A 28 5.135 30.079 7.785 1.00 0.00 C ATOM 456 NE1 TRP A 28 5.829 28.002 7.314 1.00 0.00 N ATOM 457 CE2 TRP A 28 5.864 29.296 6.868 1.00 0.00 C ATOM 458 CE3 TRP A 28 5.018 31.452 7.553 1.00 0.00 C ATOM 459 CZ2 TRP A 28 6.473 29.843 5.742 1.00 0.00 C ATOM 460 CZ3 TRP A 28 5.623 31.993 6.435 1.00 0.00 C ATOM 461 CH2 TRP A 28 6.342 31.190 5.540 1.00 0.00 C ATOM 0 H TRP A 28 4.284 27.729 11.935 1.00 0.00 H new ATOM 0 HA TRP A 28 5.543 30.276 11.090 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.046 28.829 10.140 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.333 30.524 9.803 1.00 0.00 H new ATOM 0 HD1 TRP A 28 4.910 27.054 9.051 1.00 0.00 H new ATOM 0 HE1 TRP A 28 6.272 27.205 6.856 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.464 32.079 8.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 7.029 29.226 5.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.540 33.053 6.248 1.00 0.00 H new ATOM 0 HH2 TRP A 28 6.802 31.643 4.674 1.00 0.00 H new ATOM 472 N VAL A 29 4.109 31.698 12.543 1.00 0.00 N ATOM 473 CA VAL A 29 3.399 32.499 13.533 1.00 0.00 C ATOM 474 C VAL A 29 2.610 33.621 12.868 1.00 0.00 C ATOM 475 O VAL A 29 3.056 34.207 11.882 1.00 0.00 O ATOM 476 CB VAL A 29 4.370 33.109 14.561 1.00 0.00 C ATOM 477 CG1 VAL A 29 3.609 33.922 15.597 1.00 0.00 C ATOM 478 CG2 VAL A 29 5.194 32.017 15.228 1.00 0.00 C ATOM 0 H VAL A 29 4.823 32.207 12.022 1.00 0.00 H new ATOM 0 HA VAL A 29 2.710 31.829 14.047 1.00 0.00 H new ATOM 0 HB VAL A 29 5.052 33.779 14.038 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.311 34.345 16.315 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.067 34.728 15.101 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.902 33.277 16.118 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.875 32.466 15.951 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.529 31.320 15.739 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.769 31.482 14.472 1.00 0.00 H new ATOM 488 N GLN A 30 1.435 33.916 13.415 1.00 0.00 N ATOM 489 CA GLN A 30 0.583 34.968 12.874 1.00 0.00 C ATOM 490 C GLN A 30 0.982 36.331 13.431 1.00 0.00 C ATOM 491 O GLN A 30 0.890 36.573 14.635 1.00 0.00 O ATOM 492 CB GLN A 30 -0.884 34.682 13.197 1.00 0.00 C ATOM 493 CG GLN A 30 -1.847 35.698 12.605 1.00 0.00 C ATOM 494 CD GLN A 30 -3.249 35.572 13.168 1.00 0.00 C ATOM 495 OE1 GLN A 30 -3.784 36.516 13.750 1.00 0.00 O ATOM 496 NE2 GLN A 30 -3.852 34.401 12.998 1.00 0.00 N ATOM 0 H GLN A 30 1.052 33.441 14.232 1.00 0.00 H new ATOM 0 HA GLN A 30 0.713 34.985 11.792 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.142 33.690 12.826 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.012 34.661 14.279 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.472 36.703 12.797 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.882 35.572 11.523 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.371 33.646 12.509 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.796 34.257 13.356 1.00 0.00 H new ATOM 505 N LYS A 31 1.426 37.219 12.548 1.00 0.00 N ATOM 506 CA LYS A 31 1.838 38.558 12.949 1.00 0.00 C ATOM 507 C LYS A 31 1.438 39.589 11.898 1.00 0.00 C ATOM 508 O LYS A 31 1.603 39.363 10.700 1.00 0.00 O ATOM 509 CB LYS A 31 3.352 38.603 13.172 1.00 0.00 C ATOM 510 CG LYS A 31 3.788 38.018 14.505 1.00 0.00 C ATOM 511 CD LYS A 31 3.385 38.913 15.665 1.00 0.00 C ATOM 512 CE LYS A 31 4.477 39.918 15.998 1.00 0.00 C ATOM 513 NZ LYS A 31 4.324 41.181 15.224 1.00 0.00 N ATOM 0 H LYS A 31 1.510 37.035 11.548 1.00 0.00 H new ATOM 0 HA LYS A 31 1.331 38.802 13.883 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.846 38.059 12.367 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.689 39.638 13.111 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.343 37.031 14.634 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.870 37.882 14.508 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.465 39.442 15.415 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.172 38.301 16.542 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.452 40.141 17.065 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.452 39.478 15.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.557 41.991 15.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.965 41.166 14.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.342 41.268 14.893 1.00 0.00 H new ATOM 527 N ASN A 32 0.913 40.721 12.356 1.00 0.00 N ATOM 528 CA ASN A 32 0.490 41.786 11.455 1.00 0.00 C ATOM 529 C ASN A 32 -0.476 41.256 10.400 1.00 0.00 C ATOM 530 O ASN A 32 -0.292 41.483 9.204 1.00 0.00 O ATOM 531 CB ASN A 32 1.706 42.421 10.775 1.00 0.00 C ATOM 532 CG ASN A 32 1.405 43.800 10.223 1.00 0.00 C ATOM 533 OD1 ASN A 32 1.027 44.709 10.962 1.00 0.00 O ATOM 534 ND2 ASN A 32 1.572 43.963 8.915 1.00 0.00 N ATOM 0 H ASN A 32 0.771 40.924 13.345 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.025 42.543 12.046 1.00 0.00 H new ATOM 0 HB2 ASN A 32 2.525 42.490 11.491 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.045 41.775 9.965 1.00 0.00 H new ATOM 0 HD21 ASN A 32 1.385 44.869 8.486 1.00 0.00 H new ATOM 0 HD22 ASN A 32 1.887 43.182 8.340 1.00 0.00 H new ATOM 541 N ASP A 33 -1.506 40.548 10.852 1.00 0.00 N ATOM 542 CA ASP A 33 -2.503 39.986 9.948 1.00 0.00 C ATOM 543 C ASP A 33 -1.837 39.170 8.844 1.00 0.00 C ATOM 544 O ASP A 33 -2.378 39.036 7.747 1.00 0.00 O ATOM 545 CB ASP A 33 -3.352 41.101 9.334 1.00 0.00 C ATOM 546 CG ASP A 33 -4.278 41.747 10.346 1.00 0.00 C ATOM 547 OD1 ASP A 33 -4.481 41.156 11.427 1.00 0.00 O ATOM 548 OD2 ASP A 33 -4.798 42.845 10.056 1.00 0.00 O ATOM 0 H ASP A 33 -1.672 40.350 11.839 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.149 39.324 10.525 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.696 41.861 8.909 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.943 40.694 8.513 1.00 0.00 H new ATOM 553 N GLU A 34 -0.660 38.629 9.144 1.00 0.00 N ATOM 554 CA GLU A 34 0.079 37.828 8.175 1.00 0.00 C ATOM 555 C GLU A 34 0.730 36.623 8.850 1.00 0.00 C ATOM 556 O GLU A 34 0.594 36.427 10.057 1.00 0.00 O ATOM 557 CB GLU A 34 1.147 38.679 7.485 1.00 0.00 C ATOM 558 CG GLU A 34 0.576 39.735 6.554 1.00 0.00 C ATOM 559 CD GLU A 34 0.269 39.190 5.173 1.00 0.00 C ATOM 560 OE1 GLU A 34 0.239 37.951 5.018 1.00 0.00 O ATOM 561 OE2 GLU A 34 0.059 40.001 4.247 1.00 0.00 O ATOM 0 H GLU A 34 -0.199 38.731 10.048 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.626 37.467 7.426 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.757 39.168 8.245 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.809 38.026 6.917 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.335 40.144 6.990 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.285 40.558 6.466 1.00 0.00 H new ATOM 568 N GLU A 35 1.436 35.820 8.060 1.00 0.00 N ATOM 569 CA GLU A 35 2.107 34.635 8.581 1.00 0.00 C ATOM 570 C GLU A 35 3.592 34.651 8.229 1.00 0.00 C ATOM 571 O GLU A 35 3.963 34.780 7.062 1.00 0.00 O ATOM 572 CB GLU A 35 1.454 33.367 8.026 1.00 0.00 C ATOM 573 CG GLU A 35 1.311 33.368 6.513 1.00 0.00 C ATOM 574 CD GLU A 35 -0.133 33.257 6.064 1.00 0.00 C ATOM 575 OE1 GLU A 35 -0.921 32.583 6.760 1.00 0.00 O ATOM 576 OE2 GLU A 35 -0.475 33.844 5.016 1.00 0.00 O ATOM 0 H GLU A 35 1.558 35.968 7.058 1.00 0.00 H new ATOM 0 HA GLU A 35 2.009 34.641 9.667 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.046 32.502 8.326 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.468 33.250 8.476 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.743 34.285 6.111 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.882 32.538 6.097 1.00 0.00 H new ATOM 583 N ARG A 36 4.437 34.520 9.246 1.00 0.00 N ATOM 584 CA ARG A 36 5.881 34.521 9.046 1.00 0.00 C ATOM 585 C ARG A 36 6.508 33.246 9.601 1.00 0.00 C ATOM 586 O ARG A 36 6.062 32.714 10.619 1.00 0.00 O ATOM 587 CB ARG A 36 6.509 35.745 9.716 1.00 0.00 C ATOM 588 CG ARG A 36 6.186 37.055 9.016 1.00 0.00 C ATOM 589 CD ARG A 36 4.930 37.696 9.585 1.00 0.00 C ATOM 590 NE ARG A 36 4.843 39.116 9.257 1.00 0.00 N ATOM 591 CZ ARG A 36 4.592 39.575 8.036 1.00 0.00 C ATOM 592 NH1 ARG A 36 4.404 38.729 7.033 1.00 0.00 N ATOM 593 NH2 ARG A 36 4.529 40.882 7.817 1.00 0.00 N ATOM 0 H ARG A 36 4.146 34.412 10.218 1.00 0.00 H new ATOM 0 HA ARG A 36 6.074 34.563 7.974 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.165 35.800 10.749 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.591 35.617 9.747 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.026 37.742 9.121 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.053 36.875 7.949 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.052 37.180 9.197 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.919 37.573 10.668 1.00 0.00 H new ATOM 0 HE ARG A 36 4.983 39.793 10.007 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.452 37.724 7.198 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.211 39.083 6.096 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.673 41.536 8.587 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.336 41.233 6.879 1.00 0.00 H new ATOM 607 N LEU A 37 7.543 32.760 8.925 1.00 0.00 N ATOM 608 CA LEU A 37 8.232 31.546 9.350 1.00 0.00 C ATOM 609 C LEU A 37 9.043 31.796 10.618 1.00 0.00 C ATOM 610 O LEU A 37 10.058 32.492 10.590 1.00 0.00 O ATOM 611 CB LEU A 37 9.149 31.040 8.236 1.00 0.00 C ATOM 612 CG LEU A 37 9.757 29.652 8.445 1.00 0.00 C ATOM 613 CD1 LEU A 37 8.863 28.581 7.840 1.00 0.00 C ATOM 614 CD2 LEU A 37 11.154 29.586 7.844 1.00 0.00 C ATOM 0 H LEU A 37 7.924 33.187 8.081 1.00 0.00 H new ATOM 0 HA LEU A 37 7.480 30.787 9.565 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.584 31.030 7.304 1.00 0.00 H new ATOM 0 HB3 LEU A 37 9.962 31.755 8.109 1.00 0.00 H new ATOM 0 HG LEU A 37 9.835 29.468 9.516 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.312 27.600 7.998 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.883 28.613 8.317 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.752 28.761 6.771 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.571 28.592 8.002 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.100 29.791 6.775 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.792 30.328 8.324 1.00 0.00 H new ATOM 626 N ALA A 38 8.590 31.221 11.727 1.00 0.00 N ATOM 627 CA ALA A 38 9.276 31.377 13.004 1.00 0.00 C ATOM 628 C ALA A 38 9.955 30.078 13.425 1.00 0.00 C ATOM 629 O ALA A 38 9.359 29.005 13.352 1.00 0.00 O ATOM 630 CB ALA A 38 8.298 31.836 14.075 1.00 0.00 C ATOM 0 H ALA A 38 7.751 30.643 11.767 1.00 0.00 H new ATOM 0 HA ALA A 38 10.048 32.137 12.884 1.00 0.00 H new ATOM 0 HB1 ALA A 38 8.823 31.948 15.023 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.864 32.793 13.785 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.505 31.096 14.185 1.00 0.00 H new ATOM 636 N GLU A 39 11.205 30.185 13.865 1.00 0.00 N ATOM 637 CA GLU A 39 11.964 29.017 14.297 1.00 0.00 C ATOM 638 C GLU A 39 11.964 28.900 15.818 1.00 0.00 C ATOM 639 O GLU A 39 12.273 29.861 16.525 1.00 0.00 O ATOM 640 CB GLU A 39 13.402 29.097 13.780 1.00 0.00 C ATOM 641 CG GLU A 39 14.318 28.035 14.364 1.00 0.00 C ATOM 642 CD GLU A 39 15.653 27.958 13.648 1.00 0.00 C ATOM 643 OE1 GLU A 39 16.262 29.022 13.412 1.00 0.00 O ATOM 644 OE2 GLU A 39 16.087 26.833 13.324 1.00 0.00 O ATOM 0 H GLU A 39 11.713 31.067 13.932 1.00 0.00 H new ATOM 0 HA GLU A 39 11.485 28.130 13.882 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.395 29.002 12.694 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.808 30.082 14.011 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.488 28.247 15.420 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.824 27.065 14.310 1.00 0.00 H new ATOM 651 N ILE A 40 11.616 27.718 16.315 1.00 0.00 N ATOM 652 CA ILE A 40 11.577 27.475 17.751 1.00 0.00 C ATOM 653 C ILE A 40 12.971 27.563 18.362 1.00 0.00 C ATOM 654 O ILE A 40 13.953 27.125 17.761 1.00 0.00 O ATOM 655 CB ILE A 40 10.973 26.095 18.073 1.00 0.00 C ATOM 656 CG1 ILE A 40 9.597 25.951 17.419 1.00 0.00 C ATOM 657 CG2 ILE A 40 10.874 25.898 19.578 1.00 0.00 C ATOM 658 CD1 ILE A 40 8.552 26.877 18.001 1.00 0.00 C ATOM 0 H ILE A 40 11.357 26.914 15.744 1.00 0.00 H new ATOM 0 HA ILE A 40 10.944 28.249 18.184 1.00 0.00 H new ATOM 0 HB ILE A 40 11.629 25.324 17.668 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.689 26.146 16.351 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.258 24.921 17.527 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.445 24.918 19.789 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.869 25.962 20.020 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.237 26.673 20.005 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.602 26.720 17.490 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.431 26.667 19.064 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.869 27.912 17.869 1.00 0.00 H new ATOM 670 N LEU A 41 13.052 28.129 19.561 1.00 0.00 N ATOM 671 CA LEU A 41 14.326 28.273 20.256 1.00 0.00 C ATOM 672 C LEU A 41 14.296 27.556 21.602 1.00 0.00 C ATOM 673 O LEU A 41 15.308 27.019 22.053 1.00 0.00 O ATOM 674 CB LEU A 41 14.655 29.753 20.460 1.00 0.00 C ATOM 675 CG LEU A 41 15.100 30.519 19.215 1.00 0.00 C ATOM 676 CD1 LEU A 41 15.408 31.968 19.561 1.00 0.00 C ATOM 677 CD2 LEU A 41 16.313 29.852 18.583 1.00 0.00 C ATOM 0 H LEU A 41 12.249 28.496 20.073 1.00 0.00 H new ATOM 0 HA LEU A 41 15.101 27.817 19.640 1.00 0.00 H new ATOM 0 HB2 LEU A 41 13.774 30.247 20.871 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.442 29.830 21.210 1.00 0.00 H new ATOM 0 HG LEU A 41 14.284 30.504 18.493 1.00 0.00 H new ATOM 0 HD11 LEU A 41 15.723 32.498 18.662 1.00 0.00 H new ATOM 0 HD12 LEU A 41 14.515 32.443 19.968 1.00 0.00 H new ATOM 0 HD13 LEU A 41 16.207 32.003 20.302 1.00 0.00 H new ATOM 0 HD21 LEU A 41 16.616 30.411 17.698 1.00 0.00 H new ATOM 0 HD22 LEU A 41 17.134 29.835 19.300 1.00 0.00 H new ATOM 0 HD23 LEU A 41 16.059 28.831 18.298 1.00 0.00 H new ATOM 689 N SER A 42 13.129 27.551 22.238 1.00 0.00 N ATOM 690 CA SER A 42 12.967 26.901 23.534 1.00 0.00 C ATOM 691 C SER A 42 11.491 26.677 23.848 1.00 0.00 C ATOM 692 O SER A 42 10.613 27.214 23.173 1.00 0.00 O ATOM 693 CB SER A 42 13.612 27.745 24.635 1.00 0.00 C ATOM 694 OG SER A 42 14.536 26.979 25.388 1.00 0.00 O ATOM 0 H SER A 42 12.282 27.990 21.877 1.00 0.00 H new ATOM 0 HA SER A 42 13.463 25.931 23.492 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.121 28.601 24.191 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.839 28.140 25.295 1.00 0.00 H new ATOM 0 HG SER A 42 14.936 27.541 26.084 1.00 0.00 H new ATOM 700 N ILE A 43 11.227 25.879 24.877 1.00 0.00 N ATOM 701 CA ILE A 43 9.859 25.583 25.282 1.00 0.00 C ATOM 702 C ILE A 43 9.671 25.797 26.781 1.00 0.00 C ATOM 703 O ILE A 43 10.491 25.362 27.587 1.00 0.00 O ATOM 704 CB ILE A 43 9.466 24.137 24.928 1.00 0.00 C ATOM 705 CG1 ILE A 43 9.609 23.901 23.423 1.00 0.00 C ATOM 706 CG2 ILE A 43 8.044 23.847 25.383 1.00 0.00 C ATOM 707 CD1 ILE A 43 10.647 22.859 23.070 1.00 0.00 C ATOM 0 H ILE A 43 11.943 25.426 25.445 1.00 0.00 H new ATOM 0 HA ILE A 43 9.213 26.270 24.735 1.00 0.00 H new ATOM 0 HB ILE A 43 10.138 23.456 25.449 1.00 0.00 H new ATOM 0 HG12 ILE A 43 8.645 23.593 23.019 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.872 24.842 22.939 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.782 22.821 25.125 1.00 0.00 H new ATOM 0 HG22 ILE A 43 7.973 23.979 26.463 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.357 24.533 24.888 1.00 0.00 H new ATOM 0 HD11 ILE A 43 10.694 22.744 21.987 1.00 0.00 H new ATOM 0 HD12 ILE A 43 11.621 23.174 23.444 1.00 0.00 H new ATOM 0 HD13 ILE A 43 10.375 21.906 23.524 1.00 0.00 H new ATOM 719 N ASN A 44 8.583 26.468 27.145 1.00 0.00 N ATOM 720 CA ASN A 44 8.286 26.739 28.547 1.00 0.00 C ATOM 721 C ASN A 44 6.896 26.229 28.917 1.00 0.00 C ATOM 722 O ASN A 44 5.887 26.860 28.601 1.00 0.00 O ATOM 723 CB ASN A 44 8.384 28.239 28.831 1.00 0.00 C ATOM 724 CG ASN A 44 7.954 28.590 30.242 1.00 0.00 C ATOM 725 OD1 ASN A 44 7.867 27.721 31.110 1.00 0.00 O ATOM 726 ND2 ASN A 44 7.684 29.868 30.478 1.00 0.00 N ATOM 0 H ASN A 44 7.893 26.834 26.489 1.00 0.00 H new ATOM 0 HA ASN A 44 9.021 26.213 29.156 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.411 28.569 28.674 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.762 28.782 28.119 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.391 30.164 31.409 1.00 0.00 H new ATOM 0 HD22 ASN A 44 7.770 30.554 29.728 1.00 0.00 H new ATOM 733 N THR A 45 6.851 25.083 29.589 1.00 0.00 N ATOM 734 CA THR A 45 5.587 24.488 30.002 1.00 0.00 C ATOM 735 C THR A 45 5.295 24.780 31.469 1.00 0.00 C ATOM 736 O THR A 45 5.253 23.869 32.296 1.00 0.00 O ATOM 737 CB THR A 45 5.585 22.963 29.783 1.00 0.00 C ATOM 738 OG1 THR A 45 6.675 22.365 30.495 1.00 0.00 O ATOM 739 CG2 THR A 45 5.696 22.628 28.303 1.00 0.00 C ATOM 0 H THR A 45 7.677 24.548 29.859 1.00 0.00 H new ATOM 0 HA THR A 45 4.810 24.937 29.384 1.00 0.00 H new ATOM 0 HB THR A 45 4.643 22.565 30.160 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.580 22.548 31.453 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.693 21.546 28.174 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.850 23.060 27.768 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.625 23.038 27.906 1.00 0.00 H new ATOM 747 N ARG A 46 5.092 26.055 31.785 1.00 0.00 N ATOM 748 CA ARG A 46 4.804 26.466 33.153 1.00 0.00 C ATOM 749 C ARG A 46 3.441 27.148 33.241 1.00 0.00 C ATOM 750 O ARG A 46 3.093 27.734 34.266 1.00 0.00 O ATOM 751 CB ARG A 46 5.892 27.411 33.664 1.00 0.00 C ATOM 752 CG ARG A 46 7.102 26.693 34.239 1.00 0.00 C ATOM 753 CD ARG A 46 7.963 27.630 35.071 1.00 0.00 C ATOM 754 NE ARG A 46 8.965 26.906 35.850 1.00 0.00 N ATOM 755 CZ ARG A 46 9.916 27.503 36.559 1.00 0.00 C ATOM 756 NH1 ARG A 46 9.995 28.827 36.589 1.00 0.00 N ATOM 757 NH2 ARG A 46 10.791 26.776 37.242 1.00 0.00 N ATOM 0 H ARG A 46 5.122 26.821 31.112 1.00 0.00 H new ATOM 0 HA ARG A 46 4.785 25.573 33.777 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.217 28.054 32.846 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.467 28.060 34.430 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.771 25.857 34.856 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.697 26.274 33.428 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.461 28.344 34.415 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.327 28.205 35.744 1.00 0.00 H new ATOM 0 HE ARG A 46 8.932 25.887 35.849 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.324 29.390 36.066 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.727 29.282 37.135 1.00 0.00 H new ATOM 0 HH21 ARG A 46 10.733 25.758 37.223 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.521 27.235 37.786 1.00 0.00 H new ATOM 771 N LYS A 47 2.675 27.067 32.159 1.00 0.00 N ATOM 772 CA LYS A 47 1.350 27.674 32.112 1.00 0.00 C ATOM 773 C LYS A 47 0.360 26.767 31.388 1.00 0.00 C ATOM 774 O LYS A 47 0.731 25.708 30.881 1.00 0.00 O ATOM 775 CB LYS A 47 1.415 29.035 31.414 1.00 0.00 C ATOM 776 CG LYS A 47 1.027 30.197 32.312 1.00 0.00 C ATOM 777 CD LYS A 47 1.923 30.281 33.536 1.00 0.00 C ATOM 778 CE LYS A 47 1.819 31.639 34.211 1.00 0.00 C ATOM 779 NZ LYS A 47 0.477 31.856 34.819 1.00 0.00 N ATOM 0 H LYS A 47 2.949 26.587 31.302 1.00 0.00 H new ATOM 0 HA LYS A 47 1.005 27.813 33.137 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.427 29.196 31.043 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.755 29.021 30.546 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.090 31.129 31.750 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.010 30.084 32.627 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.647 29.500 34.244 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.957 30.097 33.245 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.585 31.720 34.983 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.018 32.423 33.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.447 32.793 35.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.252 31.804 34.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.297 31.123 35.534 1.00 0.00 H new ATOM 793 N ALA A 48 -0.899 27.189 31.342 1.00 0.00 N ATOM 794 CA ALA A 48 -1.940 26.416 30.677 1.00 0.00 C ATOM 795 C ALA A 48 -2.893 27.325 29.908 1.00 0.00 C ATOM 796 O ALA A 48 -3.745 28.001 30.485 1.00 0.00 O ATOM 797 CB ALA A 48 -2.708 25.582 31.692 1.00 0.00 C ATOM 0 H ALA A 48 -1.223 28.062 31.758 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.460 25.748 29.962 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.482 25.010 31.181 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.023 24.898 32.194 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.169 26.240 32.429 1.00 0.00 H new ATOM 803 N PRO A 49 -2.747 27.345 28.575 1.00 0.00 N ATOM 804 CA PRO A 49 -1.735 26.545 27.878 1.00 0.00 C ATOM 805 C PRO A 49 -0.319 27.046 28.139 1.00 0.00 C ATOM 806 O PRO A 49 -0.107 28.158 28.623 1.00 0.00 O ATOM 807 CB PRO A 49 -2.101 26.719 26.402 1.00 0.00 C ATOM 808 CG PRO A 49 -2.820 28.022 26.341 1.00 0.00 C ATOM 809 CD PRO A 49 -3.557 28.150 27.646 1.00 0.00 C ATOM 0 HA PRO A 49 -1.734 25.507 28.212 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.212 26.728 25.772 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.732 25.902 26.052 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.121 28.847 26.205 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.511 28.047 25.498 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.625 29.189 27.969 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.577 27.772 27.571 1.00 0.00 H new ATOM 817 N PRO A 50 0.676 26.208 27.810 1.00 0.00 N ATOM 818 CA PRO A 50 2.090 26.546 27.999 1.00 0.00 C ATOM 819 C PRO A 50 2.559 27.635 27.041 1.00 0.00 C ATOM 820 O PRO A 50 1.780 28.148 26.238 1.00 0.00 O ATOM 821 CB PRO A 50 2.811 25.228 27.706 1.00 0.00 C ATOM 822 CG PRO A 50 1.888 24.483 26.805 1.00 0.00 C ATOM 823 CD PRO A 50 0.497 24.867 27.228 1.00 0.00 C ATOM 0 HA PRO A 50 2.285 26.942 28.996 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.775 25.402 27.229 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.005 24.671 28.622 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.065 24.745 25.762 1.00 0.00 H new ATOM 0 HG3 PRO A 50 2.040 23.407 26.894 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.190 24.884 26.382 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.090 24.164 27.955 1.00 0.00 H new ATOM 831 N LYS A 51 3.838 27.985 27.131 1.00 0.00 N ATOM 832 CA LYS A 51 4.413 29.012 26.271 1.00 0.00 C ATOM 833 C LYS A 51 5.601 28.464 25.487 1.00 0.00 C ATOM 834 O LYS A 51 6.215 27.474 25.884 1.00 0.00 O ATOM 835 CB LYS A 51 4.851 30.218 27.105 1.00 0.00 C ATOM 836 CG LYS A 51 3.714 31.163 27.453 1.00 0.00 C ATOM 837 CD LYS A 51 4.168 32.254 28.409 1.00 0.00 C ATOM 838 CE LYS A 51 3.032 33.207 28.746 1.00 0.00 C ATOM 839 NZ LYS A 51 3.536 34.537 29.186 1.00 0.00 N ATOM 0 H LYS A 51 4.496 27.572 27.792 1.00 0.00 H new ATOM 0 HA LYS A 51 3.647 29.327 25.562 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.312 29.863 28.027 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.616 30.769 26.558 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.324 31.616 26.541 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.897 30.600 27.904 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.549 31.802 29.325 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.992 32.811 27.962 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.392 33.332 27.873 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.416 32.773 29.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.731 35.158 29.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.126 34.421 30.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.103 34.962 28.425 1.00 0.00 H new ATOM 853 N PHE A 52 5.920 29.115 24.374 1.00 0.00 N ATOM 854 CA PHE A 52 7.036 28.692 23.535 1.00 0.00 C ATOM 855 C PHE A 52 7.811 29.898 23.013 1.00 0.00 C ATOM 856 O PHE A 52 7.243 30.968 22.793 1.00 0.00 O ATOM 857 CB PHE A 52 6.529 27.851 22.361 1.00 0.00 C ATOM 858 CG PHE A 52 5.755 26.636 22.785 1.00 0.00 C ATOM 859 CD1 PHE A 52 4.431 26.744 23.178 1.00 0.00 C ATOM 860 CD2 PHE A 52 6.351 25.385 22.789 1.00 0.00 C ATOM 861 CE1 PHE A 52 3.716 25.628 23.569 1.00 0.00 C ATOM 862 CE2 PHE A 52 5.642 24.265 23.179 1.00 0.00 C ATOM 863 CZ PHE A 52 4.322 24.386 23.568 1.00 0.00 C ATOM 0 H PHE A 52 5.422 29.937 24.032 1.00 0.00 H new ATOM 0 HA PHE A 52 7.707 28.086 24.144 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.897 28.472 21.726 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.379 27.537 21.755 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.952 27.712 23.179 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.382 25.284 22.484 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.685 25.726 23.875 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.119 23.296 23.180 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.765 23.512 23.871 1.00 0.00 H new ATOM 873 N TYR A 53 9.113 29.718 22.819 1.00 0.00 N ATOM 874 CA TYR A 53 9.968 30.791 22.326 1.00 0.00 C ATOM 875 C TYR A 53 10.226 30.640 20.830 1.00 0.00 C ATOM 876 O TYR A 53 10.829 29.662 20.388 1.00 0.00 O ATOM 877 CB TYR A 53 11.296 30.803 23.085 1.00 0.00 C ATOM 878 CG TYR A 53 11.987 32.148 23.077 1.00 0.00 C ATOM 879 CD1 TYR A 53 11.295 33.308 23.405 1.00 0.00 C ATOM 880 CD2 TYR A 53 13.331 32.259 22.743 1.00 0.00 C ATOM 881 CE1 TYR A 53 11.922 34.539 23.398 1.00 0.00 C ATOM 882 CE2 TYR A 53 13.966 33.485 22.735 1.00 0.00 C ATOM 883 CZ TYR A 53 13.257 34.622 23.063 1.00 0.00 C ATOM 884 OH TYR A 53 13.886 35.847 23.057 1.00 0.00 O ATOM 0 H TYR A 53 9.599 28.839 22.996 1.00 0.00 H new ATOM 0 HA TYR A 53 9.453 31.737 22.493 1.00 0.00 H new ATOM 0 HB2 TYR A 53 11.117 30.502 24.117 1.00 0.00 H new ATOM 0 HB3 TYR A 53 11.962 30.059 22.647 1.00 0.00 H new ATOM 0 HD1 TYR A 53 10.250 33.246 23.670 1.00 0.00 H new ATOM 0 HD2 TYR A 53 13.889 31.371 22.485 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.370 35.431 23.653 1.00 0.00 H new ATOM 0 HE2 TYR A 53 15.012 33.553 22.473 1.00 0.00 H new ATOM 0 HH TYR A 53 14.753 35.767 22.607 1.00 0.00 H new ATOM 894 N VAL A 54 9.763 31.616 20.055 1.00 0.00 N ATOM 895 CA VAL A 54 9.944 31.593 18.608 1.00 0.00 C ATOM 896 C VAL A 54 10.865 32.719 18.152 1.00 0.00 C ATOM 897 O VAL A 54 10.979 33.750 18.816 1.00 0.00 O ATOM 898 CB VAL A 54 8.596 31.718 17.872 1.00 0.00 C ATOM 899 CG1 VAL A 54 7.796 30.431 18.003 1.00 0.00 C ATOM 900 CG2 VAL A 54 7.806 32.904 18.405 1.00 0.00 C ATOM 0 H VAL A 54 9.260 32.432 20.405 1.00 0.00 H new ATOM 0 HA VAL A 54 10.397 30.633 18.361 1.00 0.00 H new ATOM 0 HB VAL A 54 8.793 31.889 16.814 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.847 30.537 17.477 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.361 29.606 17.569 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.606 30.226 19.057 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.857 32.977 17.874 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.616 32.766 19.470 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.378 33.820 18.254 1.00 0.00 H new ATOM 910 N HIS A 55 11.521 32.515 17.014 1.00 0.00 N ATOM 911 CA HIS A 55 12.433 33.514 16.467 1.00 0.00 C ATOM 912 C HIS A 55 12.196 33.705 14.972 1.00 0.00 C ATOM 913 O HIS A 55 12.212 32.744 14.203 1.00 0.00 O ATOM 914 CB HIS A 55 13.884 33.102 16.718 1.00 0.00 C ATOM 915 CG HIS A 55 14.867 33.808 15.835 1.00 0.00 C ATOM 916 ND1 HIS A 55 14.776 35.149 15.528 1.00 0.00 N ATOM 917 CD2 HIS A 55 15.968 33.351 15.195 1.00 0.00 C ATOM 918 CE1 HIS A 55 15.777 35.486 14.735 1.00 0.00 C ATOM 919 NE2 HIS A 55 16.516 34.413 14.518 1.00 0.00 N ATOM 0 H HIS A 55 11.438 31.667 16.453 1.00 0.00 H new ATOM 0 HA HIS A 55 12.240 34.461 16.971 1.00 0.00 H new ATOM 0 HB2 HIS A 55 14.135 33.301 17.760 1.00 0.00 H new ATOM 0 HB3 HIS A 55 13.979 32.027 16.567 1.00 0.00 H new ATOM 0 HD2 HIS A 55 16.346 32.339 15.213 1.00 0.00 H new ATOM 0 HE1 HIS A 55 15.960 36.471 14.332 1.00 0.00 H new ATOM 0 HE2 HIS A 55 17.357 34.379 13.942 1.00 0.00 H new ATOM 927 N TYR A 56 11.977 34.951 14.568 1.00 0.00 N ATOM 928 CA TYR A 56 11.734 35.268 13.165 1.00 0.00 C ATOM 929 C TYR A 56 13.027 35.199 12.359 1.00 0.00 C ATOM 930 O TYR A 56 13.886 36.075 12.465 1.00 0.00 O ATOM 931 CB TYR A 56 11.112 36.659 13.035 1.00 0.00 C ATOM 932 CG TYR A 56 9.855 36.840 13.856 1.00 0.00 C ATOM 933 CD1 TYR A 56 9.922 37.224 15.190 1.00 0.00 C ATOM 934 CD2 TYR A 56 8.600 36.628 13.297 1.00 0.00 C ATOM 935 CE1 TYR A 56 8.776 37.389 15.943 1.00 0.00 C ATOM 936 CE2 TYR A 56 7.449 36.792 14.043 1.00 0.00 C ATOM 937 CZ TYR A 56 7.542 37.173 15.366 1.00 0.00 C ATOM 938 OH TYR A 56 6.398 37.338 16.113 1.00 0.00 O ATOM 0 H TYR A 56 11.963 35.758 15.191 1.00 0.00 H new ATOM 0 HA TYR A 56 11.039 34.528 12.767 1.00 0.00 H new ATOM 0 HB2 TYR A 56 11.845 37.406 13.340 1.00 0.00 H new ATOM 0 HB3 TYR A 56 10.881 36.848 11.987 1.00 0.00 H new ATOM 0 HD1 TYR A 56 10.886 37.396 15.645 1.00 0.00 H new ATOM 0 HD2 TYR A 56 8.524 36.330 12.262 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.846 37.686 16.979 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.482 36.623 13.593 1.00 0.00 H new ATOM 0 HH TYR A 56 6.629 37.719 16.986 1.00 0.00 H new ATOM 948 N VAL A 57 13.158 34.151 11.552 1.00 0.00 N ATOM 949 CA VAL A 57 14.345 33.967 10.725 1.00 0.00 C ATOM 950 C VAL A 57 14.519 35.123 9.747 1.00 0.00 C ATOM 951 O VAL A 57 15.639 35.477 9.380 1.00 0.00 O ATOM 952 CB VAL A 57 14.280 32.646 9.936 1.00 0.00 C ATOM 953 CG1 VAL A 57 15.547 32.451 9.117 1.00 0.00 C ATOM 954 CG2 VAL A 57 14.058 31.473 10.878 1.00 0.00 C ATOM 0 H VAL A 57 12.457 33.417 11.453 1.00 0.00 H new ATOM 0 HA VAL A 57 15.200 33.936 11.401 1.00 0.00 H new ATOM 0 HB VAL A 57 13.435 32.694 9.249 1.00 0.00 H new ATOM 0 HG11 VAL A 57 15.483 31.513 8.566 1.00 0.00 H new ATOM 0 HG12 VAL A 57 15.657 33.277 8.415 1.00 0.00 H new ATOM 0 HG13 VAL A 57 16.410 32.423 9.783 1.00 0.00 H new ATOM 0 HG21 VAL A 57 14.015 30.548 10.303 1.00 0.00 H new ATOM 0 HG22 VAL A 57 14.880 31.419 11.592 1.00 0.00 H new ATOM 0 HG23 VAL A 57 13.120 31.610 11.415 1.00 0.00 H new ATOM 964 N ASN A 58 13.402 35.710 9.329 1.00 0.00 N ATOM 965 CA ASN A 58 13.430 36.827 8.392 1.00 0.00 C ATOM 966 C ASN A 58 14.002 38.077 9.054 1.00 0.00 C ATOM 967 O ASN A 58 14.514 38.971 8.379 1.00 0.00 O ATOM 968 CB ASN A 58 12.022 37.114 7.866 1.00 0.00 C ATOM 969 CG ASN A 58 11.368 35.885 7.265 1.00 0.00 C ATOM 970 OD1 ASN A 58 10.270 35.495 7.664 1.00 0.00 O ATOM 971 ND2 ASN A 58 12.041 35.268 6.301 1.00 0.00 N ATOM 0 H ASN A 58 12.467 35.431 9.624 1.00 0.00 H new ATOM 0 HA ASN A 58 14.074 36.552 7.556 1.00 0.00 H new ATOM 0 HB2 ASN A 58 11.403 37.490 8.680 1.00 0.00 H new ATOM 0 HB3 ASN A 58 12.072 37.901 7.113 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.651 34.435 5.859 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.948 35.627 6.002 1.00 0.00 H new ATOM 978 N TYR A 59 13.913 38.133 10.378 1.00 0.00 N ATOM 979 CA TYR A 59 14.420 39.273 11.131 1.00 0.00 C ATOM 980 C TYR A 59 15.584 38.861 12.027 1.00 0.00 C ATOM 981 O TYR A 59 16.078 37.737 11.943 1.00 0.00 O ATOM 982 CB TYR A 59 13.304 39.889 11.978 1.00 0.00 C ATOM 983 CG TYR A 59 12.091 40.299 11.174 1.00 0.00 C ATOM 984 CD1 TYR A 59 12.207 41.177 10.104 1.00 0.00 C ATOM 985 CD2 TYR A 59 10.828 39.811 11.486 1.00 0.00 C ATOM 986 CE1 TYR A 59 11.102 41.556 9.367 1.00 0.00 C ATOM 987 CE2 TYR A 59 9.717 40.183 10.754 1.00 0.00 C ATOM 988 CZ TYR A 59 9.859 41.056 9.696 1.00 0.00 C ATOM 989 OH TYR A 59 8.755 41.430 8.965 1.00 0.00 O ATOM 0 H TYR A 59 13.494 37.401 10.952 1.00 0.00 H new ATOM 0 HA TYR A 59 14.779 40.015 10.418 1.00 0.00 H new ATOM 0 HB2 TYR A 59 12.999 39.172 12.740 1.00 0.00 H new ATOM 0 HB3 TYR A 59 13.695 40.762 12.501 1.00 0.00 H new ATOM 0 HD1 TYR A 59 13.179 41.570 9.844 1.00 0.00 H new ATOM 0 HD2 TYR A 59 10.713 39.129 12.315 1.00 0.00 H new ATOM 0 HE1 TYR A 59 11.210 42.240 8.538 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.743 39.792 11.009 1.00 0.00 H new ATOM 0 HH TYR A 59 7.958 40.988 9.326 1.00 0.00 H new ATOM 999 N ASN A 60 16.017 39.780 12.884 1.00 0.00 N ATOM 1000 CA ASN A 60 17.123 39.513 13.796 1.00 0.00 C ATOM 1001 C ASN A 60 16.639 38.762 15.033 1.00 0.00 C ATOM 1002 O ASN A 60 15.439 38.574 15.229 1.00 0.00 O ATOM 1003 CB ASN A 60 17.796 40.823 14.211 1.00 0.00 C ATOM 1004 CG ASN A 60 17.865 41.823 13.074 1.00 0.00 C ATOM 1005 OD1 ASN A 60 17.467 42.978 13.223 1.00 0.00 O ATOM 1006 ND2 ASN A 60 18.372 41.382 11.928 1.00 0.00 N ATOM 0 H ASN A 60 15.619 40.716 12.966 1.00 0.00 H new ATOM 0 HA ASN A 60 17.849 38.889 13.275 1.00 0.00 H new ATOM 0 HB2 ASN A 60 17.247 41.262 15.044 1.00 0.00 H new ATOM 0 HB3 ASN A 60 18.804 40.613 14.568 1.00 0.00 H new ATOM 0 HD21 ASN A 60 18.443 42.009 11.127 1.00 0.00 H new ATOM 0 HD22 ASN A 60 18.690 40.416 11.849 1.00 0.00 H new ATOM 1013 N LYS A 61 17.583 38.336 15.866 1.00 0.00 N ATOM 1014 CA LYS A 61 17.255 37.608 17.086 1.00 0.00 C ATOM 1015 C LYS A 61 16.559 38.518 18.093 1.00 0.00 C ATOM 1016 O LYS A 61 16.017 38.051 19.095 1.00 0.00 O ATOM 1017 CB LYS A 61 18.522 37.016 17.708 1.00 0.00 C ATOM 1018 CG LYS A 61 19.422 36.316 16.704 1.00 0.00 C ATOM 1019 CD LYS A 61 20.371 35.347 17.388 1.00 0.00 C ATOM 1020 CE LYS A 61 21.404 36.079 18.232 1.00 0.00 C ATOM 1021 NZ LYS A 61 22.727 36.147 17.554 1.00 0.00 N ATOM 0 H LYS A 61 18.582 38.483 15.718 1.00 0.00 H new ATOM 0 HA LYS A 61 16.574 36.798 16.824 1.00 0.00 H new ATOM 0 HB2 LYS A 61 19.085 37.813 18.194 1.00 0.00 H new ATOM 0 HB3 LYS A 61 18.238 36.307 18.485 1.00 0.00 H new ATOM 0 HG2 LYS A 61 18.811 35.778 15.979 1.00 0.00 H new ATOM 0 HG3 LYS A 61 19.996 37.058 16.149 1.00 0.00 H new ATOM 0 HD2 LYS A 61 19.802 34.664 18.019 1.00 0.00 H new ATOM 0 HD3 LYS A 61 20.877 34.741 16.637 1.00 0.00 H new ATOM 0 HE2 LYS A 61 21.051 37.089 18.442 1.00 0.00 H new ATOM 0 HE3 LYS A 61 21.513 35.573 19.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 23.403 36.653 18.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 23.076 35.184 17.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 22.628 36.652 16.650 1.00 0.00 H new ATOM 1035 N ARG A 62 16.577 39.818 17.820 1.00 0.00 N ATOM 1036 CA ARG A 62 15.948 40.794 18.702 1.00 0.00 C ATOM 1037 C ARG A 62 14.443 40.856 18.458 1.00 0.00 C ATOM 1038 O ARG A 62 13.729 41.620 19.109 1.00 0.00 O ATOM 1039 CB ARG A 62 16.567 42.177 18.492 1.00 0.00 C ATOM 1040 CG ARG A 62 16.144 42.842 17.193 1.00 0.00 C ATOM 1041 CD ARG A 62 17.199 43.820 16.699 1.00 0.00 C ATOM 1042 NE ARG A 62 17.117 45.106 17.387 1.00 0.00 N ATOM 1043 CZ ARG A 62 17.826 46.174 17.036 1.00 0.00 C ATOM 1044 NH1 ARG A 62 18.665 46.109 16.011 1.00 0.00 N ATOM 1045 NH2 ARG A 62 17.697 47.309 17.711 1.00 0.00 N ATOM 0 H ARG A 62 17.021 40.220 16.994 1.00 0.00 H new ATOM 0 HA ARG A 62 16.119 40.480 19.732 1.00 0.00 H new ATOM 0 HB2 ARG A 62 16.290 42.821 19.327 1.00 0.00 H new ATOM 0 HB3 ARG A 62 17.653 42.086 18.507 1.00 0.00 H new ATOM 0 HG2 ARG A 62 15.968 42.080 16.433 1.00 0.00 H new ATOM 0 HG3 ARG A 62 15.201 43.367 17.342 1.00 0.00 H new ATOM 0 HD2 ARG A 62 18.190 43.391 16.849 1.00 0.00 H new ATOM 0 HD3 ARG A 62 17.077 43.974 15.627 1.00 0.00 H new ATOM 0 HE ARG A 62 16.481 45.189 18.180 1.00 0.00 H new ATOM 0 HH11 ARG A 62 18.767 45.238 15.490 1.00 0.00 H new ATOM 0 HH12 ARG A 62 19.208 46.930 15.744 1.00 0.00 H new ATOM 0 HH21 ARG A 62 17.053 47.363 18.500 1.00 0.00 H new ATOM 0 HH22 ARG A 62 18.242 48.128 17.441 1.00 0.00 H new ATOM 1059 N LEU A 63 13.967 40.047 17.517 1.00 0.00 N ATOM 1060 CA LEU A 63 12.547 40.010 17.187 1.00 0.00 C ATOM 1061 C LEU A 63 11.860 38.831 17.868 1.00 0.00 C ATOM 1062 O LEU A 63 10.648 38.845 18.083 1.00 0.00 O ATOM 1063 CB LEU A 63 12.358 39.919 15.672 1.00 0.00 C ATOM 1064 CG LEU A 63 12.134 41.245 14.943 1.00 0.00 C ATOM 1065 CD1 LEU A 63 10.894 41.945 15.478 1.00 0.00 C ATOM 1066 CD2 LEU A 63 13.355 42.142 15.078 1.00 0.00 C ATOM 0 H LEU A 63 14.544 39.408 16.970 1.00 0.00 H new ATOM 0 HA LEU A 63 12.091 40.931 17.550 1.00 0.00 H new ATOM 0 HB2 LEU A 63 13.237 39.436 15.245 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.507 39.268 15.470 1.00 0.00 H new ATOM 0 HG LEU A 63 11.979 41.034 13.885 1.00 0.00 H new ATOM 0 HD11 LEU A 63 10.750 42.886 14.948 1.00 0.00 H new ATOM 0 HD12 LEU A 63 10.023 41.307 15.328 1.00 0.00 H new ATOM 0 HD13 LEU A 63 11.019 42.144 16.542 1.00 0.00 H new ATOM 0 HD21 LEU A 63 13.177 43.080 14.553 1.00 0.00 H new ATOM 0 HD22 LEU A 63 13.542 42.346 16.132 1.00 0.00 H new ATOM 0 HD23 LEU A 63 14.222 41.643 14.645 1.00 0.00 H new ATOM 1078 N ASP A 64 12.643 37.812 18.206 1.00 0.00 N ATOM 1079 CA ASP A 64 12.111 36.626 18.867 1.00 0.00 C ATOM 1080 C ASP A 64 11.289 37.009 20.094 1.00 0.00 C ATOM 1081 O ASP A 64 11.396 38.125 20.600 1.00 0.00 O ATOM 1082 CB ASP A 64 13.249 35.688 19.272 1.00 0.00 C ATOM 1083 CG ASP A 64 14.179 36.314 20.292 1.00 0.00 C ATOM 1084 OD1 ASP A 64 13.987 37.504 20.619 1.00 0.00 O ATOM 1085 OD2 ASP A 64 15.099 35.614 20.764 1.00 0.00 O ATOM 0 H ASP A 64 13.648 37.784 18.033 1.00 0.00 H new ATOM 0 HA ASP A 64 11.459 36.110 18.163 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.830 34.769 19.682 1.00 0.00 H new ATOM 0 HB3 ASP A 64 13.820 35.410 18.386 1.00 0.00 H new ATOM 1090 N GLU A 65 10.469 36.075 20.566 1.00 0.00 N ATOM 1091 CA GLU A 65 9.628 36.317 21.732 1.00 0.00 C ATOM 1092 C GLU A 65 8.926 35.035 22.172 1.00 0.00 C ATOM 1093 O GLU A 65 9.081 33.985 21.549 1.00 0.00 O ATOM 1094 CB GLU A 65 8.591 37.400 21.426 1.00 0.00 C ATOM 1095 CG GLU A 65 7.587 36.996 20.360 1.00 0.00 C ATOM 1096 CD GLU A 65 6.609 38.107 20.029 1.00 0.00 C ATOM 1097 OE1 GLU A 65 5.967 38.631 20.964 1.00 0.00 O ATOM 1098 OE2 GLU A 65 6.486 38.453 18.836 1.00 0.00 O ATOM 0 H GLU A 65 10.369 35.145 20.159 1.00 0.00 H new ATOM 0 HA GLU A 65 10.269 36.658 22.545 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.055 37.648 22.342 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.107 38.305 21.104 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.121 36.705 19.455 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.035 36.120 20.700 1.00 0.00 H new ATOM 1105 N TRP A 66 8.156 35.130 23.249 1.00 0.00 N ATOM 1106 CA TRP A 66 7.430 33.978 23.774 1.00 0.00 C ATOM 1107 C TRP A 66 5.970 34.010 23.336 1.00 0.00 C ATOM 1108 O TRP A 66 5.176 34.799 23.849 1.00 0.00 O ATOM 1109 CB TRP A 66 7.518 33.946 25.300 1.00 0.00 C ATOM 1110 CG TRP A 66 8.923 33.860 25.813 1.00 0.00 C ATOM 1111 CD1 TRP A 66 9.803 34.892 25.972 1.00 0.00 C ATOM 1112 CD2 TRP A 66 9.611 32.676 26.232 1.00 0.00 C ATOM 1113 NE1 TRP A 66 10.996 34.422 26.464 1.00 0.00 N ATOM 1114 CE2 TRP A 66 10.904 33.066 26.634 1.00 0.00 C ATOM 1115 CE3 TRP A 66 9.260 31.326 26.310 1.00 0.00 C ATOM 1116 CZ2 TRP A 66 11.844 32.152 27.103 1.00 0.00 C ATOM 1117 CZ3 TRP A 66 10.195 30.420 26.775 1.00 0.00 C ATOM 1118 CH2 TRP A 66 11.474 30.837 27.168 1.00 0.00 C ATOM 0 H TRP A 66 8.018 35.992 23.776 1.00 0.00 H new ATOM 0 HA TRP A 66 7.890 33.075 23.373 1.00 0.00 H new ATOM 0 HB2 TRP A 66 7.046 34.842 25.703 1.00 0.00 H new ATOM 0 HB3 TRP A 66 6.950 33.093 25.672 1.00 0.00 H new ATOM 0 HD1 TRP A 66 9.592 35.926 25.744 1.00 0.00 H new ATOM 0 HE1 TRP A 66 11.817 34.991 26.670 1.00 0.00 H new ATOM 0 HE3 TRP A 66 8.276 30.996 26.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 12.831 32.470 27.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 9.935 29.373 26.836 1.00 0.00 H new ATOM 0 HH2 TRP A 66 12.181 30.105 27.529 1.00 0.00 H new ATOM 1129 N ILE A 67 5.622 33.147 22.387 1.00 0.00 N ATOM 1130 CA ILE A 67 4.257 33.076 21.883 1.00 0.00 C ATOM 1131 C ILE A 67 3.502 31.905 22.503 1.00 0.00 C ATOM 1132 O ILE A 67 4.105 30.995 23.074 1.00 0.00 O ATOM 1133 CB ILE A 67 4.229 32.936 20.350 1.00 0.00 C ATOM 1134 CG1 ILE A 67 4.959 31.662 19.919 1.00 0.00 C ATOM 1135 CG2 ILE A 67 4.855 34.159 19.695 1.00 0.00 C ATOM 1136 CD1 ILE A 67 4.694 31.270 18.482 1.00 0.00 C ATOM 0 H ILE A 67 6.267 32.487 21.952 1.00 0.00 H new ATOM 0 HA ILE A 67 3.769 34.009 22.163 1.00 0.00 H new ATOM 0 HB ILE A 67 3.191 32.865 20.025 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.031 31.803 20.057 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.659 30.842 20.572 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.828 34.045 18.611 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.297 35.051 19.980 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.890 34.258 20.024 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.243 30.359 18.246 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.627 31.097 18.343 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.020 32.072 17.820 1.00 0.00 H new ATOM 1148 N THR A 68 2.178 31.933 22.386 1.00 0.00 N ATOM 1149 CA THR A 68 1.340 30.874 22.933 1.00 0.00 C ATOM 1150 C THR A 68 0.753 30.008 21.824 1.00 0.00 C ATOM 1151 O THR A 68 0.927 30.295 20.639 1.00 0.00 O ATOM 1152 CB THR A 68 0.191 31.449 23.783 1.00 0.00 C ATOM 1153 OG1 THR A 68 -0.196 32.732 23.278 1.00 0.00 O ATOM 1154 CG2 THR A 68 0.607 31.576 25.241 1.00 0.00 C ATOM 0 H THR A 68 1.663 32.678 21.917 1.00 0.00 H new ATOM 0 HA THR A 68 1.980 30.261 23.568 1.00 0.00 H new ATOM 0 HB THR A 68 -0.655 30.764 23.722 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.928 33.091 23.822 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.221 31.984 25.821 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.873 30.593 25.630 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.467 32.242 25.317 1.00 0.00 H new ATOM 1162 N THR A 69 0.054 28.946 22.215 1.00 0.00 N ATOM 1163 CA THR A 69 -0.559 28.039 21.254 1.00 0.00 C ATOM 1164 C THR A 69 -1.475 28.790 20.296 1.00 0.00 C ATOM 1165 O THR A 69 -1.482 28.527 19.093 1.00 0.00 O ATOM 1166 CB THR A 69 -1.367 26.935 21.961 1.00 0.00 C ATOM 1167 OG1 THR A 69 -2.534 27.497 22.572 1.00 0.00 O ATOM 1168 CG2 THR A 69 -0.523 26.236 23.016 1.00 0.00 C ATOM 0 H THR A 69 -0.101 28.694 23.191 1.00 0.00 H new ATOM 0 HA THR A 69 0.253 27.580 20.690 1.00 0.00 H new ATOM 0 HB THR A 69 -1.666 26.200 21.214 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.043 26.788 23.018 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.116 25.461 23.501 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.349 25.784 22.543 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.196 26.962 23.760 1.00 0.00 H new ATOM 1176 N ASP A 70 -2.248 29.726 20.835 1.00 0.00 N ATOM 1177 CA ASP A 70 -3.168 30.518 20.027 1.00 0.00 C ATOM 1178 C ASP A 70 -2.406 31.418 19.060 1.00 0.00 C ATOM 1179 O ASP A 70 -2.984 31.973 18.126 1.00 0.00 O ATOM 1180 CB ASP A 70 -4.073 31.363 20.925 1.00 0.00 C ATOM 1181 CG ASP A 70 -4.925 30.516 21.850 1.00 0.00 C ATOM 1182 OD1 ASP A 70 -5.921 29.933 21.372 1.00 0.00 O ATOM 1183 OD2 ASP A 70 -4.595 30.435 23.051 1.00 0.00 O ATOM 0 H ASP A 70 -2.256 29.955 21.829 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.785 29.832 19.447 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.460 32.040 21.519 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.721 31.982 20.304 1.00 0.00 H new ATOM 1188 N ARG A 71 -1.105 31.559 19.292 1.00 0.00 N ATOM 1189 CA ARG A 71 -0.263 32.394 18.443 1.00 0.00 C ATOM 1190 C ARG A 71 0.508 31.545 17.438 1.00 0.00 C ATOM 1191 O ARG A 71 1.264 32.068 16.619 1.00 0.00 O ATOM 1192 CB ARG A 71 0.713 33.205 19.297 1.00 0.00 C ATOM 1193 CG ARG A 71 0.042 34.282 20.134 1.00 0.00 C ATOM 1194 CD ARG A 71 1.001 35.417 20.455 1.00 0.00 C ATOM 1195 NE ARG A 71 0.411 36.390 21.371 1.00 0.00 N ATOM 1196 CZ ARG A 71 0.931 37.591 21.602 1.00 0.00 C ATOM 1197 NH1 ARG A 71 2.044 37.965 20.987 1.00 0.00 N ATOM 1198 NH2 ARG A 71 0.336 38.420 22.449 1.00 0.00 N ATOM 0 H ARG A 71 -0.611 31.106 20.061 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.910 33.078 17.893 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.253 32.527 19.958 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.452 33.671 18.645 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.822 34.675 19.598 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.329 33.845 21.061 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.911 35.009 20.896 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.291 35.918 19.532 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.447 36.134 21.860 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.504 37.330 20.334 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.441 38.887 21.166 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.521 38.136 22.923 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.735 39.342 22.626 1.00 0.00 H new ATOM 1212 N ILE A 72 0.312 30.232 17.507 1.00 0.00 N ATOM 1213 CA ILE A 72 0.989 29.311 16.602 1.00 0.00 C ATOM 1214 C ILE A 72 0.070 28.885 15.462 1.00 0.00 C ATOM 1215 O ILE A 72 -1.129 28.692 15.658 1.00 0.00 O ATOM 1216 CB ILE A 72 1.483 28.055 17.344 1.00 0.00 C ATOM 1217 CG1 ILE A 72 2.454 28.445 18.461 1.00 0.00 C ATOM 1218 CG2 ILE A 72 2.146 27.092 16.371 1.00 0.00 C ATOM 1219 CD1 ILE A 72 2.563 27.407 19.556 1.00 0.00 C ATOM 0 H ILE A 72 -0.309 29.783 18.180 1.00 0.00 H new ATOM 0 HA ILE A 72 1.848 29.844 16.194 1.00 0.00 H new ATOM 0 HB ILE A 72 0.625 27.554 17.792 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.441 28.613 18.031 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.132 29.390 18.898 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.490 26.209 16.910 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.427 26.794 15.608 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.997 27.582 15.897 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.268 27.750 20.313 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.585 27.256 20.013 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.915 26.466 19.132 1.00 0.00 H new ATOM 1231 N ASN A 73 0.641 28.739 14.271 1.00 0.00 N ATOM 1232 CA ASN A 73 -0.126 28.335 13.099 1.00 0.00 C ATOM 1233 C ASN A 73 0.055 26.846 12.818 1.00 0.00 C ATOM 1234 O ASN A 73 1.100 26.419 12.326 1.00 0.00 O ATOM 1235 CB ASN A 73 0.300 29.152 11.878 1.00 0.00 C ATOM 1236 CG ASN A 73 0.171 30.645 12.108 1.00 0.00 C ATOM 1237 OD1 ASN A 73 0.756 31.193 13.043 1.00 0.00 O ATOM 1238 ND2 ASN A 73 -0.597 31.311 11.253 1.00 0.00 N ATOM 0 H ASN A 73 1.633 28.895 14.092 1.00 0.00 H new ATOM 0 HA ASN A 73 -1.180 28.523 13.303 1.00 0.00 H new ATOM 0 HB2 ASN A 73 1.334 28.914 11.627 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.310 28.865 11.021 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -0.721 32.318 11.357 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.063 30.815 10.493 1.00 0.00 H new ATOM 1245 N LEU A 74 -0.970 26.061 13.132 1.00 0.00 N ATOM 1246 CA LEU A 74 -0.925 24.620 12.913 1.00 0.00 C ATOM 1247 C LEU A 74 -1.536 24.255 11.563 1.00 0.00 C ATOM 1248 O LEU A 74 -1.918 23.108 11.333 1.00 0.00 O ATOM 1249 CB LEU A 74 -1.667 23.890 14.034 1.00 0.00 C ATOM 1250 CG LEU A 74 -0.834 23.527 15.264 1.00 0.00 C ATOM 1251 CD1 LEU A 74 0.223 22.493 14.907 1.00 0.00 C ATOM 1252 CD2 LEU A 74 -0.187 24.771 15.857 1.00 0.00 C ATOM 0 H LEU A 74 -1.842 26.399 13.539 1.00 0.00 H new ATOM 0 HA LEU A 74 0.120 24.310 12.915 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.502 24.513 14.356 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.092 22.974 13.625 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.497 23.095 16.013 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.806 22.247 15.795 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.262 21.592 14.530 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.883 22.898 14.140 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.402 24.493 16.731 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.463 25.233 15.114 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.962 25.479 16.151 1.00 0.00 H new ATOM 1264 N ASP A 75 -1.621 25.238 10.674 1.00 0.00 N ATOM 1265 CA ASP A 75 -2.182 25.021 9.345 1.00 0.00 C ATOM 1266 C ASP A 75 -1.075 24.851 8.310 1.00 0.00 C ATOM 1267 O ASP A 75 -1.297 24.301 7.231 1.00 0.00 O ATOM 1268 CB ASP A 75 -3.089 26.188 8.954 1.00 0.00 C ATOM 1269 CG ASP A 75 -3.865 25.916 7.680 1.00 0.00 C ATOM 1270 OD1 ASP A 75 -4.933 25.273 7.762 1.00 0.00 O ATOM 1271 OD2 ASP A 75 -3.405 26.345 6.601 1.00 0.00 O ATOM 0 H ASP A 75 -1.309 26.193 10.849 1.00 0.00 H new ATOM 0 HA ASP A 75 -2.773 24.106 9.372 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.788 26.389 9.766 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -2.485 27.086 8.824 1.00 0.00 H new ATOM 1276 N LYS A 76 0.119 25.329 8.644 1.00 0.00 N ATOM 1277 CA LYS A 76 1.263 25.231 7.744 1.00 0.00 C ATOM 1278 C LYS A 76 2.167 24.067 8.138 1.00 0.00 C ATOM 1279 O LYS A 76 2.351 23.786 9.322 1.00 0.00 O ATOM 1280 CB LYS A 76 2.060 26.537 7.756 1.00 0.00 C ATOM 1281 CG LYS A 76 1.521 27.587 6.800 1.00 0.00 C ATOM 1282 CD LYS A 76 0.796 28.697 7.542 1.00 0.00 C ATOM 1283 CE LYS A 76 0.628 29.933 6.671 1.00 0.00 C ATOM 1284 NZ LYS A 76 -0.458 29.760 5.667 1.00 0.00 N ATOM 0 H LYS A 76 0.320 25.789 9.532 1.00 0.00 H new ATOM 0 HA LYS A 76 0.887 25.051 6.737 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.060 26.944 8.767 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.097 26.322 7.499 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.343 28.011 6.222 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.840 27.118 6.089 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.183 28.342 7.864 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.352 28.958 8.442 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.406 30.794 7.301 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.566 30.146 6.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.040 30.622 5.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.040 29.587 4.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.054 28.951 5.936 1.00 0.00 H new ATOM 1298 N GLU A 77 2.729 23.396 7.138 1.00 0.00 N ATOM 1299 CA GLU A 77 3.615 22.263 7.382 1.00 0.00 C ATOM 1300 C GLU A 77 4.739 22.648 8.339 1.00 0.00 C ATOM 1301 O GLU A 77 5.230 23.777 8.317 1.00 0.00 O ATOM 1302 CB GLU A 77 4.204 21.755 6.064 1.00 0.00 C ATOM 1303 CG GLU A 77 3.165 21.543 4.975 1.00 0.00 C ATOM 1304 CD GLU A 77 3.636 20.583 3.899 1.00 0.00 C ATOM 1305 OE1 GLU A 77 4.312 19.591 4.245 1.00 0.00 O ATOM 1306 OE2 GLU A 77 3.329 20.824 2.713 1.00 0.00 O ATOM 0 H GLU A 77 2.587 23.617 6.152 1.00 0.00 H new ATOM 0 HA GLU A 77 3.028 21.467 7.840 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.949 22.468 5.710 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.724 20.815 6.247 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.248 21.160 5.422 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.921 22.502 4.519 1.00 0.00 H new ATOM 1313 N VAL A 78 5.142 21.701 9.180 1.00 0.00 N ATOM 1314 CA VAL A 78 6.208 21.939 10.146 1.00 0.00 C ATOM 1315 C VAL A 78 7.532 21.362 9.657 1.00 0.00 C ATOM 1316 O VAL A 78 7.564 20.307 9.022 1.00 0.00 O ATOM 1317 CB VAL A 78 5.870 21.328 11.518 1.00 0.00 C ATOM 1318 CG1 VAL A 78 7.021 21.530 12.492 1.00 0.00 C ATOM 1319 CG2 VAL A 78 4.585 21.929 12.067 1.00 0.00 C ATOM 0 H VAL A 78 4.746 20.761 9.212 1.00 0.00 H new ATOM 0 HA VAL A 78 6.303 23.020 10.252 1.00 0.00 H new ATOM 0 HB VAL A 78 5.718 20.256 11.391 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.763 21.091 13.456 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.917 21.047 12.102 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.209 22.596 12.617 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.361 21.486 13.037 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.706 23.006 12.180 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.765 21.726 11.378 1.00 0.00 H new ATOM 1329 N LEU A 79 8.622 22.059 9.956 1.00 0.00 N ATOM 1330 CA LEU A 79 9.950 21.616 9.548 1.00 0.00 C ATOM 1331 C LEU A 79 10.702 20.994 10.721 1.00 0.00 C ATOM 1332 O LEU A 79 10.747 21.562 11.813 1.00 0.00 O ATOM 1333 CB LEU A 79 10.749 22.790 8.980 1.00 0.00 C ATOM 1334 CG LEU A 79 11.091 22.712 7.492 1.00 0.00 C ATOM 1335 CD1 LEU A 79 9.874 23.053 6.646 1.00 0.00 C ATOM 1336 CD2 LEU A 79 12.250 23.641 7.161 1.00 0.00 C ATOM 0 H LEU A 79 8.612 22.934 10.480 1.00 0.00 H new ATOM 0 HA LEU A 79 9.831 20.858 8.774 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.185 23.706 9.155 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.679 22.876 9.542 1.00 0.00 H new ATOM 0 HG LEU A 79 11.394 21.690 7.262 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.136 22.992 5.590 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.072 22.347 6.862 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.540 24.064 6.879 1.00 0.00 H new ATOM 0 HD21 LEU A 79 12.479 23.572 6.098 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.976 24.667 7.407 1.00 0.00 H new ATOM 0 HD23 LEU A 79 13.126 23.350 7.741 1.00 0.00 H new ATOM 1348 N TYR A 80 11.291 19.827 10.487 1.00 0.00 N ATOM 1349 CA TYR A 80 12.041 19.129 11.525 1.00 0.00 C ATOM 1350 C TYR A 80 13.495 18.932 11.107 1.00 0.00 C ATOM 1351 O TYR A 80 13.838 18.960 9.925 1.00 0.00 O ATOM 1352 CB TYR A 80 11.397 17.774 11.824 1.00 0.00 C ATOM 1353 CG TYR A 80 10.183 17.866 12.721 1.00 0.00 C ATOM 1354 CD1 TYR A 80 10.309 17.794 14.103 1.00 0.00 C ATOM 1355 CD2 TYR A 80 8.911 18.025 12.186 1.00 0.00 C ATOM 1356 CE1 TYR A 80 9.202 17.876 14.925 1.00 0.00 C ATOM 1357 CE2 TYR A 80 7.799 18.110 13.001 1.00 0.00 C ATOM 1358 CZ TYR A 80 7.949 18.034 14.370 1.00 0.00 C ATOM 1359 OH TYR A 80 6.845 18.118 15.187 1.00 0.00 O ATOM 0 H TYR A 80 11.264 19.344 9.589 1.00 0.00 H new ATOM 0 HA TYR A 80 12.021 19.741 12.427 1.00 0.00 H new ATOM 0 HB2 TYR A 80 11.109 17.303 10.884 1.00 0.00 H new ATOM 0 HB3 TYR A 80 12.137 17.125 12.293 1.00 0.00 H new ATOM 0 HD1 TYR A 80 11.288 17.672 14.541 1.00 0.00 H new ATOM 0 HD2 TYR A 80 8.789 18.083 11.114 1.00 0.00 H new ATOM 0 HE1 TYR A 80 9.317 17.817 15.997 1.00 0.00 H new ATOM 0 HE2 TYR A 80 6.817 18.235 12.569 1.00 0.00 H new ATOM 0 HH TYR A 80 7.005 18.787 15.885 1.00 0.00 H new ATOM 1369 N PRO A 81 14.372 18.727 12.101 1.00 0.00 N ATOM 1370 CA PRO A 81 15.804 18.520 11.863 1.00 0.00 C ATOM 1371 C PRO A 81 16.093 17.178 11.199 1.00 0.00 C ATOM 1372 O PRO A 81 15.389 16.195 11.429 1.00 0.00 O ATOM 1373 CB PRO A 81 16.407 18.563 13.269 1.00 0.00 C ATOM 1374 CG PRO A 81 15.292 18.161 14.171 1.00 0.00 C ATOM 1375 CD PRO A 81 14.034 18.682 13.533 1.00 0.00 C ATOM 0 HA PRO A 81 16.217 19.267 11.185 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.253 17.882 13.358 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.773 19.560 13.512 1.00 0.00 H new ATOM 0 HG2 PRO A 81 15.253 17.078 14.283 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.426 18.580 15.168 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.185 18.026 13.725 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.768 19.668 13.914 1.00 0.00 H new ATOM 1383 N LYS A 82 17.134 17.144 10.374 1.00 0.00 N ATOM 1384 CA LYS A 82 17.519 15.922 9.677 1.00 0.00 C ATOM 1385 C LYS A 82 18.817 15.357 10.245 1.00 0.00 C ATOM 1386 O LYS A 82 19.869 15.995 10.170 1.00 0.00 O ATOM 1387 CB LYS A 82 17.680 16.193 8.180 1.00 0.00 C ATOM 1388 CG LYS A 82 17.927 14.940 7.358 1.00 0.00 C ATOM 1389 CD LYS A 82 16.770 14.655 6.415 1.00 0.00 C ATOM 1390 CE LYS A 82 17.073 13.479 5.500 1.00 0.00 C ATOM 1391 NZ LYS A 82 16.265 12.278 5.853 1.00 0.00 N ATOM 0 H LYS A 82 17.727 17.949 10.171 1.00 0.00 H new ATOM 0 HA LYS A 82 16.729 15.186 9.823 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.782 16.689 7.810 1.00 0.00 H new ATOM 0 HB3 LYS A 82 18.510 16.884 8.032 1.00 0.00 H new ATOM 0 HG2 LYS A 82 18.846 15.056 6.783 1.00 0.00 H new ATOM 0 HG3 LYS A 82 18.073 14.090 8.024 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.871 14.444 6.994 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.562 15.541 5.814 1.00 0.00 H new ATOM 0 HE2 LYS A 82 16.871 13.761 4.467 1.00 0.00 H new ATOM 0 HE3 LYS A 82 18.133 13.234 5.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 16.501 11.499 5.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 16.476 11.993 6.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.253 12.503 5.769 1.00 0.00 H new ATOM 1405 N LEU A 83 18.738 14.159 10.812 1.00 0.00 N ATOM 1406 CA LEU A 83 19.907 13.507 11.391 1.00 0.00 C ATOM 1407 C LEU A 83 20.431 12.409 10.471 1.00 0.00 C ATOM 1408 O LEU A 83 19.656 11.707 9.821 1.00 0.00 O ATOM 1409 CB LEU A 83 19.562 12.919 12.761 1.00 0.00 C ATOM 1410 CG LEU A 83 19.763 13.847 13.959 1.00 0.00 C ATOM 1411 CD1 LEU A 83 18.923 15.106 13.808 1.00 0.00 C ATOM 1412 CD2 LEU A 83 19.419 13.127 15.255 1.00 0.00 C ATOM 0 H LEU A 83 17.876 13.619 10.883 1.00 0.00 H new ATOM 0 HA LEU A 83 20.688 14.258 11.511 1.00 0.00 H new ATOM 0 HB2 LEU A 83 18.520 12.599 12.745 1.00 0.00 H new ATOM 0 HB3 LEU A 83 20.167 12.025 12.913 1.00 0.00 H new ATOM 0 HG LEU A 83 20.813 14.138 13.995 1.00 0.00 H new ATOM 0 HD11 LEU A 83 19.080 15.754 14.671 1.00 0.00 H new ATOM 0 HD12 LEU A 83 19.217 15.633 12.900 1.00 0.00 H new ATOM 0 HD13 LEU A 83 17.869 14.835 13.745 1.00 0.00 H new ATOM 0 HD21 LEU A 83 19.568 13.803 16.097 1.00 0.00 H new ATOM 0 HD22 LEU A 83 18.378 12.806 15.227 1.00 0.00 H new ATOM 0 HD23 LEU A 83 20.065 12.256 15.370 1.00 0.00 H new ATOM 1424 N LYS A 84 21.750 12.264 10.423 1.00 0.00 N ATOM 1425 CA LYS A 84 22.379 11.249 9.586 1.00 0.00 C ATOM 1426 C LYS A 84 22.214 9.861 10.198 1.00 0.00 C ATOM 1427 O LYS A 84 23.168 9.286 10.722 1.00 0.00 O ATOM 1428 CB LYS A 84 23.865 11.562 9.398 1.00 0.00 C ATOM 1429 CG LYS A 84 24.607 11.794 10.703 1.00 0.00 C ATOM 1430 CD LYS A 84 26.053 11.336 10.612 1.00 0.00 C ATOM 1431 CE LYS A 84 26.164 9.821 10.696 1.00 0.00 C ATOM 1432 NZ LYS A 84 26.024 9.332 12.095 1.00 0.00 N ATOM 0 H LYS A 84 22.405 12.837 10.954 1.00 0.00 H new ATOM 0 HA LYS A 84 21.887 11.259 8.614 1.00 0.00 H new ATOM 0 HB2 LYS A 84 24.337 10.738 8.863 1.00 0.00 H new ATOM 0 HB3 LYS A 84 23.965 12.448 8.771 1.00 0.00 H new ATOM 0 HG2 LYS A 84 24.575 12.854 10.957 1.00 0.00 H new ATOM 0 HG3 LYS A 84 24.105 11.258 11.508 1.00 0.00 H new ATOM 0 HD2 LYS A 84 26.487 11.682 9.674 1.00 0.00 H new ATOM 0 HD3 LYS A 84 26.631 11.789 11.417 1.00 0.00 H new ATOM 0 HE2 LYS A 84 25.394 9.365 10.073 1.00 0.00 H new ATOM 0 HE3 LYS A 84 27.127 9.505 10.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 26.173 8.303 12.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 26.731 9.799 12.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 25.070 9.552 12.446 1.00 0.00 H new ATOM 1446 N ALA A 85 20.999 9.328 10.125 1.00 0.00 N ATOM 1447 CA ALA A 85 20.711 8.006 10.669 1.00 0.00 C ATOM 1448 C ALA A 85 20.032 7.121 9.629 1.00 0.00 C ATOM 1449 O ALA A 85 19.507 7.611 8.628 1.00 0.00 O ATOM 1450 CB ALA A 85 19.841 8.125 11.912 1.00 0.00 C ATOM 0 H ALA A 85 20.198 9.791 9.695 1.00 0.00 H new ATOM 0 HA ALA A 85 21.657 7.539 10.944 1.00 0.00 H new ATOM 0 HB1 ALA A 85 19.634 7.131 12.308 1.00 0.00 H new ATOM 0 HB2 ALA A 85 20.363 8.714 12.666 1.00 0.00 H new ATOM 0 HB3 ALA A 85 18.903 8.616 11.654 1.00 0.00 H new ATOM 1456 N THR A 86 20.047 5.814 9.871 1.00 0.00 N ATOM 1457 CA THR A 86 19.435 4.860 8.954 1.00 0.00 C ATOM 1458 C THR A 86 18.117 4.333 9.509 1.00 0.00 C ATOM 1459 O THR A 86 18.080 3.732 10.582 1.00 0.00 O ATOM 1460 CB THR A 86 20.373 3.671 8.673 1.00 0.00 C ATOM 1461 OG1 THR A 86 19.688 2.680 7.898 1.00 0.00 O ATOM 1462 CG2 THR A 86 20.868 3.053 9.972 1.00 0.00 C ATOM 0 H THR A 86 20.476 5.392 10.694 1.00 0.00 H new ATOM 0 HA THR A 86 19.246 5.393 8.022 1.00 0.00 H new ATOM 0 HB THR A 86 21.233 4.039 8.114 1.00 0.00 H new ATOM 0 HG1 THR A 86 20.291 1.928 7.722 1.00 0.00 H new ATOM 0 HG21 THR A 86 21.529 2.215 9.748 1.00 0.00 H new ATOM 0 HG22 THR A 86 21.413 3.802 10.546 1.00 0.00 H new ATOM 0 HG23 THR A 86 20.017 2.698 10.554 1.00 0.00 H new ATOM 1470 N ASP A 87 17.036 4.562 8.771 1.00 0.00 N ATOM 1471 CA ASP A 87 15.715 4.109 9.188 1.00 0.00 C ATOM 1472 C ASP A 87 14.948 3.511 8.012 1.00 0.00 C ATOM 1473 O ASP A 87 15.313 3.714 6.855 1.00 0.00 O ATOM 1474 CB ASP A 87 14.922 5.268 9.794 1.00 0.00 C ATOM 1475 CG ASP A 87 15.070 6.549 8.997 1.00 0.00 C ATOM 1476 OD1 ASP A 87 16.151 7.169 9.065 1.00 0.00 O ATOM 1477 OD2 ASP A 87 14.104 6.931 8.304 1.00 0.00 O ATOM 0 H ASP A 87 17.049 5.059 7.880 1.00 0.00 H new ATOM 0 HA ASP A 87 15.846 3.335 9.944 1.00 0.00 H new ATOM 0 HB2 ASP A 87 13.868 4.995 9.846 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.258 5.439 10.817 1.00 0.00 H new ATOM 1482 N GLU A 88 13.886 2.774 8.318 1.00 0.00 N ATOM 1483 CA GLU A 88 13.070 2.145 7.286 1.00 0.00 C ATOM 1484 C GLU A 88 11.720 2.845 7.158 1.00 0.00 C ATOM 1485 O GLU A 88 11.185 3.369 8.136 1.00 0.00 O ATOM 1486 CB GLU A 88 12.861 0.663 7.601 1.00 0.00 C ATOM 1487 CG GLU A 88 12.239 0.413 8.965 1.00 0.00 C ATOM 1488 CD GLU A 88 11.831 -1.034 9.164 1.00 0.00 C ATOM 1489 OE1 GLU A 88 12.543 -1.927 8.658 1.00 0.00 O ATOM 1490 OE2 GLU A 88 10.800 -1.274 9.826 1.00 0.00 O ATOM 0 H GLU A 88 13.570 2.598 9.272 1.00 0.00 H new ATOM 0 HA GLU A 88 13.598 2.235 6.337 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.223 0.224 6.834 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.821 0.150 7.549 1.00 0.00 H new ATOM 0 HG2 GLU A 88 12.950 0.696 9.742 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.365 1.053 9.084 1.00 0.00 H new ATOM 1497 N ASP A 89 11.174 2.850 5.947 1.00 0.00 N ATOM 1498 CA ASP A 89 9.886 3.484 5.691 1.00 0.00 C ATOM 1499 C ASP A 89 8.992 2.578 4.850 1.00 0.00 C ATOM 1500 O ASP A 89 9.392 2.115 3.781 1.00 0.00 O ATOM 1501 CB ASP A 89 10.086 4.825 4.982 1.00 0.00 C ATOM 1502 CG ASP A 89 10.707 5.871 5.887 1.00 0.00 C ATOM 1503 OD1 ASP A 89 11.930 5.795 6.128 1.00 0.00 O ATOM 1504 OD2 ASP A 89 9.971 6.764 6.354 1.00 0.00 O ATOM 0 H ASP A 89 11.603 2.422 5.127 1.00 0.00 H new ATOM 0 HA ASP A 89 9.397 3.658 6.650 1.00 0.00 H new ATOM 0 HB2 ASP A 89 10.722 4.680 4.109 1.00 0.00 H new ATOM 0 HB3 ASP A 89 9.124 5.188 4.619 1.00 0.00 H new TER 1509 ASP A 89