USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 672 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 10 SER OG : rot -15:sc= -2.3! USER MOD Set 1.2: A 14 THR OG1 : rot -23:sc= -2.8! USER MOD Set 1.3: A 20 SER OG : rot -150:sc= -0.618 USER MOD Single : A 1 GLY N :NH3+ 177:sc= -0.164 (180deg=-0.184) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= -0.961! USER MOD Single : A 12 CYS SG : rot -141:sc= -4.59! USER MOD Single : A 13 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.202) USER MOD Single : A 15 TYR OH : rot 130:sc= -6.86! USER MOD Single : A 16 CYS SG : rot -47:sc= 0.258! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -24:sc= -0.791! USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl -136:sc= -12.6! (180deg=-17.7!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= -3.86! C(o=-4.6!,f=-3.9!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= -2.41 (180deg=-2.41) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= -0.596 USER MOD Single : A 43 SER OG : rot -90:sc= -4.09! USER MOD Single : A 46 TYR OH : rot 180:sc= -2.24! USER MOD Single : A 47 SER OG : rot 180:sc= -1.56! USER MOD Single : A 50 SER OG : rot 136:sc= -5.22! USER MOD Single : A 55 THR OG1 : rot 131:sc= -14.9! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.246 X(o=-0.25,f=-0.69) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.467 -7.616 12.179 1.00 0.00 N ATOM 2 CA GLY A 1 10.749 -7.726 10.921 1.00 0.00 C ATOM 3 C GLY A 1 9.492 -6.854 10.929 1.00 0.00 C ATOM 4 O GLY A 1 8.700 -6.892 9.988 1.00 0.00 O ATOM 0 H1 GLY A 1 12.287 -8.255 12.168 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.793 -6.637 12.308 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.836 -7.877 12.963 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.399 -7.425 10.100 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.473 -8.766 10.745 1.00 0.00 H new ATOM 8 N GLU A 2 9.347 -6.090 12.002 1.00 0.00 N ATOM 9 CA GLU A 2 8.200 -5.211 12.145 1.00 0.00 C ATOM 10 C GLU A 2 8.098 -4.271 10.942 1.00 0.00 C ATOM 11 O GLU A 2 7.218 -3.412 10.893 1.00 0.00 O ATOM 12 CB GLU A 2 8.274 -4.421 13.453 1.00 0.00 C ATOM 13 CG GLU A 2 7.123 -4.797 14.387 1.00 0.00 C ATOM 14 CD GLU A 2 6.590 -3.567 15.124 1.00 0.00 C ATOM 15 OE1 GLU A 2 5.901 -2.732 14.520 1.00 0.00 O ATOM 16 OE2 GLU A 2 6.914 -3.495 16.371 1.00 0.00 O ATOM 0 H GLU A 2 10.005 -6.062 12.781 1.00 0.00 H new ATOM 0 HA GLU A 2 7.300 -5.824 12.180 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.226 -4.616 13.947 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.239 -3.353 13.239 1.00 0.00 H new ATOM 0 HG2 GLU A 2 6.319 -5.257 13.812 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.464 -5.539 15.109 1.00 0.00 H new ATOM 24 N ALA A 3 9.010 -4.465 10.000 1.00 0.00 N ATOM 25 CA ALA A 3 9.034 -3.646 8.801 1.00 0.00 C ATOM 26 C ALA A 3 7.924 -4.104 7.853 1.00 0.00 C ATOM 27 O ALA A 3 7.322 -3.289 7.156 1.00 0.00 O ATOM 28 CB ALA A 3 10.420 -3.723 8.157 1.00 0.00 C ATOM 0 H ALA A 3 9.738 -5.178 10.044 1.00 0.00 H new ATOM 0 HA ALA A 3 8.847 -2.601 9.047 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.438 -3.108 7.257 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.169 -3.358 8.860 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.642 -4.757 7.894 1.00 0.00 H new ATOM 34 N VAL A 4 7.687 -5.408 7.858 1.00 0.00 N ATOM 35 CA VAL A 4 6.660 -5.985 7.007 1.00 0.00 C ATOM 36 C VAL A 4 5.431 -5.073 7.008 1.00 0.00 C ATOM 37 O VAL A 4 4.953 -4.670 5.949 1.00 0.00 O ATOM 38 CB VAL A 4 6.346 -7.412 7.460 1.00 0.00 C ATOM 39 CG1 VAL A 4 7.153 -8.433 6.655 1.00 0.00 C ATOM 40 CG2 VAL A 4 6.593 -7.578 8.961 1.00 0.00 C ATOM 0 H VAL A 4 8.188 -6.081 8.438 1.00 0.00 H new ATOM 0 HA VAL A 4 7.012 -6.055 5.978 1.00 0.00 H new ATOM 0 HB VAL A 4 5.289 -7.598 7.272 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.911 -9.439 6.997 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.906 -8.340 5.597 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.218 -8.248 6.796 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.362 -8.601 9.257 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.638 -7.363 9.184 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.955 -6.888 9.513 1.00 0.00 H new ATOM 50 N ILE A 5 4.956 -4.775 8.208 1.00 0.00 N ATOM 51 CA ILE A 5 3.793 -3.918 8.361 1.00 0.00 C ATOM 52 C ILE A 5 4.241 -2.456 8.385 1.00 0.00 C ATOM 53 O ILE A 5 3.635 -1.606 7.735 1.00 0.00 O ATOM 54 CB ILE A 5 2.980 -4.333 9.589 1.00 0.00 C ATOM 55 CG1 ILE A 5 2.823 -5.854 9.655 1.00 0.00 C ATOM 56 CG2 ILE A 5 1.628 -3.616 9.619 1.00 0.00 C ATOM 57 CD1 ILE A 5 3.732 -6.543 8.636 1.00 0.00 C ATOM 0 H ILE A 5 5.356 -5.112 9.084 1.00 0.00 H new ATOM 0 HA ILE A 5 3.122 -4.031 7.510 1.00 0.00 H new ATOM 0 HB ILE A 5 3.528 -4.027 10.480 1.00 0.00 H new ATOM 0 HG12 ILE A 5 3.064 -6.205 10.658 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.785 -6.125 9.463 1.00 0.00 H new ATOM 0 HG21 ILE A 5 1.070 -3.929 10.502 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.788 -2.538 9.654 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.062 -3.870 8.723 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.601 -7.623 8.704 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.472 -6.208 7.632 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.771 -6.290 8.846 1.00 0.00 H new ATOM 69 N LYS A 6 5.299 -2.207 9.143 1.00 0.00 N ATOM 70 CA LYS A 6 5.836 -0.862 9.261 1.00 0.00 C ATOM 71 C LYS A 6 5.935 -0.234 7.869 1.00 0.00 C ATOM 72 O LYS A 6 5.652 0.951 7.698 1.00 0.00 O ATOM 73 CB LYS A 6 7.162 -0.879 10.024 1.00 0.00 C ATOM 74 CG LYS A 6 6.930 -0.738 11.530 1.00 0.00 C ATOM 75 CD LYS A 6 6.874 0.734 11.940 1.00 0.00 C ATOM 76 CE LYS A 6 6.127 0.906 13.265 1.00 0.00 C ATOM 77 NZ LYS A 6 7.072 0.861 14.403 1.00 0.00 N ATOM 0 H LYS A 6 5.799 -2.914 9.682 1.00 0.00 H new ATOM 0 HA LYS A 6 5.166 -0.234 9.848 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.691 -1.810 9.820 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.798 -0.067 9.673 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.998 -1.232 11.806 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.730 -1.240 12.074 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.886 1.127 12.035 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.379 1.314 11.161 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.592 1.855 13.267 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.381 0.119 13.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.549 0.979 15.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.564 -0.055 14.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.768 1.627 14.306 1.00 0.00 H new ATOM 90 N VAL A 7 6.338 -1.055 6.911 1.00 0.00 N ATOM 91 CA VAL A 7 6.479 -0.595 5.540 1.00 0.00 C ATOM 92 C VAL A 7 5.091 -0.419 4.922 1.00 0.00 C ATOM 93 O VAL A 7 4.687 0.698 4.601 1.00 0.00 O ATOM 94 CB VAL A 7 7.367 -1.560 4.752 1.00 0.00 C ATOM 95 CG1 VAL A 7 6.562 -2.289 3.675 1.00 0.00 C ATOM 96 CG2 VAL A 7 8.564 -0.829 4.142 1.00 0.00 C ATOM 0 H VAL A 7 6.572 -2.037 7.057 1.00 0.00 H new ATOM 0 HA VAL A 7 6.974 0.376 5.511 1.00 0.00 H new ATOM 0 HB VAL A 7 7.750 -2.307 5.447 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.216 -2.969 3.129 1.00 0.00 H new ATOM 0 HG12 VAL A 7 5.758 -2.857 4.143 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.137 -1.561 2.984 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.179 -1.538 3.587 1.00 0.00 H new ATOM 0 HG22 VAL A 7 8.209 -0.050 3.467 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.158 -0.377 4.937 1.00 0.00 H new ATOM 106 N ILE A 8 4.398 -1.538 4.772 1.00 0.00 N ATOM 107 CA ILE A 8 3.064 -1.522 4.197 1.00 0.00 C ATOM 108 C ILE A 8 2.272 -0.354 4.790 1.00 0.00 C ATOM 109 O ILE A 8 1.537 0.328 4.078 1.00 0.00 O ATOM 110 CB ILE A 8 2.385 -2.881 4.380 1.00 0.00 C ATOM 111 CG1 ILE A 8 1.439 -3.182 3.216 1.00 0.00 C ATOM 112 CG2 ILE A 8 1.673 -2.961 5.732 1.00 0.00 C ATOM 113 CD1 ILE A 8 2.206 -3.269 1.895 1.00 0.00 C ATOM 0 H ILE A 8 4.736 -2.463 5.039 1.00 0.00 H new ATOM 0 HA ILE A 8 3.115 -1.360 3.120 1.00 0.00 H new ATOM 0 HB ILE A 8 3.156 -3.651 4.376 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.917 -4.121 3.400 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.679 -2.403 3.149 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.199 -3.937 5.836 1.00 0.00 H new ATOM 0 HG22 ILE A 8 2.398 -2.822 6.534 1.00 0.00 H new ATOM 0 HG23 ILE A 8 0.914 -2.181 5.790 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.510 -3.484 1.084 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.707 -2.320 1.702 1.00 0.00 H new ATOM 0 HD13 ILE A 8 2.948 -4.065 1.957 1.00 0.00 H new ATOM 125 N SER A 9 2.448 -0.161 6.089 1.00 0.00 N ATOM 126 CA SER A 9 1.760 0.912 6.786 1.00 0.00 C ATOM 127 C SER A 9 2.294 2.268 6.319 1.00 0.00 C ATOM 128 O SER A 9 1.561 3.057 5.725 1.00 0.00 O ATOM 129 CB SER A 9 1.916 0.774 8.302 1.00 0.00 C ATOM 130 OG SER A 9 2.768 1.779 8.844 1.00 0.00 O ATOM 0 H SER A 9 3.057 -0.730 6.677 1.00 0.00 H new ATOM 0 HA SER A 9 0.698 0.846 6.550 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.936 0.836 8.775 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.321 -0.210 8.537 1.00 0.00 H new ATOM 0 HG SER A 9 2.841 1.658 9.814 1.00 0.00 H new ATOM 136 N SER A 10 3.568 2.496 6.605 1.00 0.00 N ATOM 137 CA SER A 10 4.209 3.742 6.221 1.00 0.00 C ATOM 138 C SER A 10 4.390 3.792 4.703 1.00 0.00 C ATOM 139 O SER A 10 3.999 4.764 4.058 1.00 0.00 O ATOM 140 CB SER A 10 5.559 3.906 6.922 1.00 0.00 C ATOM 141 OG SER A 10 5.632 5.122 7.661 1.00 0.00 O ATOM 0 H SER A 10 4.173 1.839 7.098 1.00 0.00 H new ATOM 0 HA SER A 10 3.567 4.566 6.531 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.724 3.063 7.593 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.358 3.884 6.181 1.00 0.00 H new ATOM 0 HG SER A 10 4.909 5.720 7.379 1.00 0.00 H new ATOM 147 N ALA A 11 4.983 2.731 4.175 1.00 0.00 N ATOM 148 CA ALA A 11 5.221 2.641 2.744 1.00 0.00 C ATOM 149 C ALA A 11 3.924 2.954 1.995 1.00 0.00 C ATOM 150 O ALA A 11 3.955 3.335 0.826 1.00 0.00 O ATOM 151 CB ALA A 11 5.772 1.255 2.404 1.00 0.00 C ATOM 0 H ALA A 11 5.306 1.926 4.712 1.00 0.00 H new ATOM 0 HA ALA A 11 5.966 3.373 2.432 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.950 1.188 1.331 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.708 1.095 2.938 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.050 0.494 2.700 1.00 0.00 H new ATOM 157 N CYS A 12 2.815 2.780 2.699 1.00 0.00 N ATOM 158 CA CYS A 12 1.510 3.039 2.116 1.00 0.00 C ATOM 159 C CYS A 12 1.340 4.553 1.972 1.00 0.00 C ATOM 160 O CYS A 12 1.255 5.068 0.858 1.00 0.00 O ATOM 161 CB CYS A 12 0.386 2.414 2.944 1.00 0.00 C ATOM 162 SG CYS A 12 -1.198 3.259 2.589 1.00 0.00 S ATOM 0 H CYS A 12 2.794 2.463 3.668 1.00 0.00 H new ATOM 0 HA CYS A 12 1.449 2.573 1.133 1.00 0.00 H new ATOM 0 HB2 CYS A 12 0.301 1.352 2.713 1.00 0.00 H new ATOM 0 HB3 CYS A 12 0.619 2.492 4.006 1.00 0.00 H new ATOM 0 HG CYS A 12 -1.874 3.395 3.691 1.00 0.00 H new ATOM 168 N LYS A 13 1.294 5.222 3.114 1.00 0.00 N ATOM 169 CA LYS A 13 1.136 6.666 3.129 1.00 0.00 C ATOM 170 C LYS A 13 2.514 7.326 3.203 1.00 0.00 C ATOM 171 O LYS A 13 2.777 8.302 2.502 1.00 0.00 O ATOM 172 CB LYS A 13 0.190 7.090 4.255 1.00 0.00 C ATOM 173 CG LYS A 13 -1.072 7.747 3.693 1.00 0.00 C ATOM 174 CD LYS A 13 -0.827 9.223 3.375 1.00 0.00 C ATOM 175 CE LYS A 13 -2.145 9.952 3.105 1.00 0.00 C ATOM 176 NZ LYS A 13 -2.058 10.731 1.850 1.00 0.00 N ATOM 0 H LYS A 13 1.363 4.791 4.036 1.00 0.00 H new ATOM 0 HA LYS A 13 0.669 7.007 2.205 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.084 6.220 4.852 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.701 7.786 4.921 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.387 7.224 2.790 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.885 7.657 4.413 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -0.309 9.697 4.209 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.175 9.308 2.505 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.959 9.231 3.037 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.377 10.617 3.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.699 11.548 1.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.082 11.065 1.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.331 10.128 1.048 1.00 0.00 H new ATOM 189 N THR A 14 3.358 6.766 4.057 1.00 0.00 N ATOM 190 CA THR A 14 4.703 7.288 4.232 1.00 0.00 C ATOM 191 C THR A 14 5.477 7.217 2.914 1.00 0.00 C ATOM 192 O THR A 14 6.363 8.034 2.666 1.00 0.00 O ATOM 193 CB THR A 14 5.367 6.511 5.370 1.00 0.00 C ATOM 194 OG1 THR A 14 4.342 6.388 6.351 1.00 0.00 O ATOM 195 CG2 THR A 14 6.460 7.320 6.071 1.00 0.00 C ATOM 0 H THR A 14 3.137 5.956 4.636 1.00 0.00 H new ATOM 0 HA THR A 14 4.686 8.343 4.507 1.00 0.00 H new ATOM 0 HB THR A 14 5.794 5.588 4.978 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.681 7.101 6.225 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.899 6.723 6.870 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.233 7.587 5.351 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.027 8.228 6.492 1.00 0.00 H new ATOM 203 N TYR A 15 5.115 6.233 2.104 1.00 0.00 N ATOM 204 CA TYR A 15 5.764 6.045 0.818 1.00 0.00 C ATOM 205 C TYR A 15 5.425 7.189 -0.140 1.00 0.00 C ATOM 206 O TYR A 15 6.264 8.048 -0.409 1.00 0.00 O ATOM 207 CB TYR A 15 5.207 4.738 0.251 1.00 0.00 C ATOM 208 CG TYR A 15 6.175 3.997 -0.673 1.00 0.00 C ATOM 209 CD1 TYR A 15 7.158 4.695 -1.345 1.00 0.00 C ATOM 210 CD2 TYR A 15 6.067 2.631 -0.833 1.00 0.00 C ATOM 211 CE1 TYR A 15 8.070 3.998 -2.215 1.00 0.00 C ATOM 212 CE2 TYR A 15 6.979 1.933 -1.702 1.00 0.00 C ATOM 213 CZ TYR A 15 7.935 2.651 -2.350 1.00 0.00 C ATOM 214 OH TYR A 15 8.796 1.992 -3.171 1.00 0.00 O ATOM 0 H TYR A 15 4.380 5.557 2.314 1.00 0.00 H new ATOM 0 HA TYR A 15 6.847 6.021 0.935 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.936 4.082 1.078 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.290 4.954 -0.298 1.00 0.00 H new ATOM 0 HD1 TYR A 15 7.243 5.764 -1.218 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.298 2.085 -0.306 1.00 0.00 H new ATOM 0 HE1 TYR A 15 8.843 4.532 -2.748 1.00 0.00 H new ATOM 0 HE2 TYR A 15 6.905 0.864 -1.836 1.00 0.00 H new ATOM 0 HH TYR A 15 9.175 1.222 -2.697 1.00 0.00 H new ATOM 224 N CYS A 16 4.194 7.163 -0.629 1.00 0.00 N ATOM 225 CA CYS A 16 3.733 8.187 -1.551 1.00 0.00 C ATOM 226 C CYS A 16 2.802 9.134 -0.792 1.00 0.00 C ATOM 227 O CYS A 16 1.723 9.470 -1.277 1.00 0.00 O ATOM 228 CB CYS A 16 3.051 7.578 -2.778 1.00 0.00 C ATOM 229 SG CYS A 16 2.356 8.904 -3.831 1.00 0.00 S ATOM 0 H CYS A 16 3.501 6.449 -0.404 1.00 0.00 H new ATOM 0 HA CYS A 16 4.587 8.747 -1.932 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.769 6.988 -3.348 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.258 6.899 -2.464 1.00 0.00 H new ATOM 0 HG CYS A 16 1.703 9.749 -3.090 1.00 0.00 H new ATOM 235 N GLY A 17 3.253 9.538 0.387 1.00 0.00 N ATOM 236 CA GLY A 17 2.474 10.439 1.218 1.00 0.00 C ATOM 237 C GLY A 17 3.342 11.064 2.312 1.00 0.00 C ATOM 238 O GLY A 17 3.085 12.185 2.748 1.00 0.00 O ATOM 0 H GLY A 17 4.149 9.257 0.786 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.039 11.225 0.600 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.645 9.896 1.672 1.00 0.00 H new ATOM 242 N LYS A 18 4.352 10.312 2.724 1.00 0.00 N ATOM 243 CA LYS A 18 5.259 10.778 3.759 1.00 0.00 C ATOM 244 C LYS A 18 4.531 11.783 4.654 1.00 0.00 C ATOM 245 O LYS A 18 5.073 12.840 4.974 1.00 0.00 O ATOM 246 CB LYS A 18 6.545 11.327 3.137 1.00 0.00 C ATOM 247 CG LYS A 18 6.294 12.674 2.457 1.00 0.00 C ATOM 248 CD LYS A 18 7.317 13.717 2.912 1.00 0.00 C ATOM 249 CE LYS A 18 6.660 15.086 3.095 1.00 0.00 C ATOM 250 NZ LYS A 18 7.648 16.167 2.881 1.00 0.00 N ATOM 0 H LYS A 18 4.562 9.383 2.360 1.00 0.00 H new ATOM 0 HA LYS A 18 5.569 9.949 4.396 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.306 11.442 3.909 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.934 10.615 2.409 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.348 12.555 1.375 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.287 13.021 2.690 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.772 13.400 3.850 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.119 13.790 2.177 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.834 15.196 2.393 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.239 15.163 4.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.186 17.090 3.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.423 16.070 3.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.030 16.102 1.916 1.00 0.00 H new ATOM 263 N THR A 19 3.315 11.419 5.031 1.00 0.00 N ATOM 264 CA THR A 19 2.508 12.276 5.883 1.00 0.00 C ATOM 265 C THR A 19 1.422 11.458 6.586 1.00 0.00 C ATOM 266 O THR A 19 0.420 12.010 7.039 1.00 0.00 O ATOM 267 CB THR A 19 1.951 13.410 5.021 1.00 0.00 C ATOM 268 OG1 THR A 19 3.112 14.041 4.486 1.00 0.00 O ATOM 269 CG2 THR A 19 1.282 14.505 5.854 1.00 0.00 C ATOM 0 H THR A 19 2.868 10.542 4.762 1.00 0.00 H new ATOM 0 HA THR A 19 3.106 12.718 6.680 1.00 0.00 H new ATOM 0 HB THR A 19 1.231 13.005 4.310 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.878 13.869 5.073 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.904 15.285 5.193 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.455 14.077 6.420 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.010 14.934 6.543 1.00 0.00 H new ATOM 277 N SER A 20 1.658 10.156 6.656 1.00 0.00 N ATOM 278 CA SER A 20 0.713 9.258 7.296 1.00 0.00 C ATOM 279 C SER A 20 0.053 9.954 8.487 1.00 0.00 C ATOM 280 O SER A 20 0.590 9.942 9.594 1.00 0.00 O ATOM 281 CB SER A 20 1.400 7.968 7.749 1.00 0.00 C ATOM 282 OG SER A 20 1.884 7.205 6.647 1.00 0.00 O ATOM 0 H SER A 20 2.490 9.702 6.280 1.00 0.00 H new ATOM 0 HA SER A 20 -0.054 8.994 6.568 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.229 8.213 8.412 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.697 7.366 8.326 1.00 0.00 H new ATOM 0 HG SER A 20 1.871 6.253 6.877 1.00 0.00 H new ATOM 288 N PRO A 21 -1.133 10.561 8.214 1.00 0.00 N ATOM 289 CA PRO A 21 -1.872 11.262 9.250 1.00 0.00 C ATOM 290 C PRO A 21 -2.556 10.275 10.198 1.00 0.00 C ATOM 291 O PRO A 21 -2.380 10.352 11.413 1.00 0.00 O ATOM 292 CB PRO A 21 -2.856 12.146 8.502 1.00 0.00 C ATOM 293 CG PRO A 21 -2.953 11.568 7.100 1.00 0.00 C ATOM 294 CD PRO A 21 -1.800 10.596 6.915 1.00 0.00 C ATOM 0 HA PRO A 21 -1.228 11.862 9.893 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -3.830 12.148 8.992 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -2.510 13.179 8.475 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -3.907 11.059 6.962 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.905 12.363 6.355 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.158 9.608 6.627 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.122 10.931 6.130 1.00 0.00 H new ATOM 302 N SER A 22 -3.322 9.370 9.607 1.00 0.00 N ATOM 303 CA SER A 22 -4.033 8.369 10.384 1.00 0.00 C ATOM 304 C SER A 22 -4.923 7.528 9.465 1.00 0.00 C ATOM 305 O SER A 22 -4.767 6.311 9.389 1.00 0.00 O ATOM 306 CB SER A 22 -4.873 9.020 11.485 1.00 0.00 C ATOM 307 OG SER A 22 -4.768 8.319 12.721 1.00 0.00 O ATOM 0 H SER A 22 -3.466 9.309 8.599 1.00 0.00 H new ATOM 0 HA SER A 22 -3.298 7.721 10.861 1.00 0.00 H new ATOM 0 HB2 SER A 22 -4.551 10.052 11.625 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.917 9.052 11.174 1.00 0.00 H new ATOM 0 HG SER A 22 -5.317 8.766 13.398 1.00 0.00 H new ATOM 313 N LYS A 23 -5.836 8.212 8.791 1.00 0.00 N ATOM 314 CA LYS A 23 -6.750 7.544 7.881 1.00 0.00 C ATOM 315 C LYS A 23 -6.041 7.287 6.550 1.00 0.00 C ATOM 316 O LYS A 23 -5.023 7.910 6.255 1.00 0.00 O ATOM 317 CB LYS A 23 -8.048 8.342 7.743 1.00 0.00 C ATOM 318 CG LYS A 23 -9.110 7.836 8.721 1.00 0.00 C ATOM 319 CD LYS A 23 -10.156 6.983 8.002 1.00 0.00 C ATOM 320 CE LYS A 23 -11.351 6.696 8.913 1.00 0.00 C ATOM 321 NZ LYS A 23 -12.288 5.756 8.259 1.00 0.00 N ATOM 0 H LYS A 23 -5.962 9.222 8.857 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.042 6.572 8.280 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.851 9.398 7.929 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.421 8.262 6.722 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.635 7.249 9.507 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.597 8.683 9.205 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.495 7.498 7.103 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.706 6.044 7.680 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.004 6.275 9.856 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.867 7.627 9.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.093 5.572 8.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.633 6.172 7.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.797 4.862 8.055 1.00 0.00 H new ATOM 334 N LYS A 24 -6.608 6.369 5.781 1.00 0.00 N ATOM 335 CA LYS A 24 -6.043 6.022 4.488 1.00 0.00 C ATOM 336 C LYS A 24 -4.708 5.303 4.696 1.00 0.00 C ATOM 337 O LYS A 24 -4.571 4.130 4.354 1.00 0.00 O ATOM 338 CB LYS A 24 -5.941 7.262 3.598 1.00 0.00 C ATOM 339 CG LYS A 24 -7.330 7.789 3.232 1.00 0.00 C ATOM 340 CD LYS A 24 -7.362 9.319 3.262 1.00 0.00 C ATOM 341 CE LYS A 24 -8.655 9.828 3.902 1.00 0.00 C ATOM 342 NZ LYS A 24 -9.753 9.842 2.911 1.00 0.00 N ATOM 0 H LYS A 24 -7.453 5.855 6.029 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.699 5.331 3.959 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.377 8.039 4.114 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.390 7.018 2.690 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.607 7.435 2.239 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.068 7.393 3.929 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.504 9.693 3.820 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.277 9.708 2.247 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.926 9.192 4.744 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.501 10.832 4.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.623 10.190 3.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.499 10.468 2.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.910 8.878 2.553 1.00 0.00 H new ATOM 355 N GLU A 25 -3.758 6.038 5.255 1.00 0.00 N ATOM 356 CA GLU A 25 -2.439 5.485 5.513 1.00 0.00 C ATOM 357 C GLU A 25 -2.546 4.003 5.878 1.00 0.00 C ATOM 358 O GLU A 25 -2.465 3.138 5.007 1.00 0.00 O ATOM 359 CB GLU A 25 -1.721 6.270 6.612 1.00 0.00 C ATOM 360 CG GLU A 25 -2.711 6.771 7.665 1.00 0.00 C ATOM 361 CD GLU A 25 -2.205 6.477 9.079 1.00 0.00 C ATOM 362 OE1 GLU A 25 -2.568 5.447 9.666 1.00 0.00 O ATOM 363 OE2 GLU A 25 -1.404 7.363 9.566 1.00 0.00 O ATOM 0 H GLU A 25 -3.875 7.011 5.536 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.846 5.572 4.603 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.971 5.636 7.085 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.192 7.116 6.173 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.863 7.844 7.545 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.679 6.293 7.515 1.00 0.00 H new ATOM 371 N ILE A 26 -2.728 3.756 7.166 1.00 0.00 N ATOM 372 CA ILE A 26 -2.848 2.393 7.657 1.00 0.00 C ATOM 373 C ILE A 26 -3.945 1.668 6.875 1.00 0.00 C ATOM 374 O ILE A 26 -3.860 0.462 6.653 1.00 0.00 O ATOM 375 CB ILE A 26 -3.065 2.386 9.172 1.00 0.00 C ATOM 376 CG1 ILE A 26 -1.823 2.896 9.906 1.00 0.00 C ATOM 377 CG2 ILE A 26 -3.489 0.999 9.658 1.00 0.00 C ATOM 378 CD1 ILE A 26 -2.190 3.454 11.282 1.00 0.00 C ATOM 0 H ILE A 26 -2.795 4.476 7.885 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.921 1.845 7.489 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.880 3.072 9.404 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.104 2.085 10.019 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.338 3.671 9.313 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.637 1.021 10.738 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.420 0.712 9.170 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.712 0.274 9.413 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.289 3.810 11.782 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.890 4.281 11.164 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.652 2.670 11.881 1.00 0.00 H new ATOM 390 N GLY A 27 -4.950 2.436 6.479 1.00 0.00 N ATOM 391 CA GLY A 27 -6.063 1.882 5.727 1.00 0.00 C ATOM 392 C GLY A 27 -5.564 1.044 4.548 1.00 0.00 C ATOM 393 O GLY A 27 -5.566 -0.185 4.610 1.00 0.00 O ATOM 0 H GLY A 27 -5.016 3.437 6.665 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.678 1.265 6.382 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.697 2.689 5.361 1.00 0.00 H new ATOM 397 N ALA A 28 -5.150 1.741 3.500 1.00 0.00 N ATOM 398 CA ALA A 28 -4.649 1.077 2.309 1.00 0.00 C ATOM 399 C ALA A 28 -3.621 0.019 2.714 1.00 0.00 C ATOM 400 O ALA A 28 -3.651 -1.105 2.215 1.00 0.00 O ATOM 401 CB ALA A 28 -4.069 2.118 1.349 1.00 0.00 C ATOM 0 H ALA A 28 -5.151 2.760 3.451 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.457 0.567 1.786 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.693 1.619 0.456 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.847 2.828 1.068 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.253 2.649 1.838 1.00 0.00 H new ATOM 407 N MET A 29 -2.734 0.417 3.614 1.00 0.00 N ATOM 408 CA MET A 29 -1.697 -0.483 4.092 1.00 0.00 C ATOM 409 C MET A 29 -2.257 -1.886 4.332 1.00 0.00 C ATOM 410 O MET A 29 -1.725 -2.868 3.815 1.00 0.00 O ATOM 411 CB MET A 29 -1.109 0.062 5.395 1.00 0.00 C ATOM 412 CG MET A 29 -0.716 -1.077 6.338 1.00 0.00 C ATOM 413 SD MET A 29 -1.447 -0.819 7.945 1.00 0.00 S ATOM 414 CE MET A 29 -0.683 -2.153 8.852 1.00 0.00 C ATOM 0 H MET A 29 -2.712 1.350 4.025 1.00 0.00 H new ATOM 0 HA MET A 29 -0.919 -0.548 3.331 1.00 0.00 H new ATOM 0 HB2 MET A 29 -0.235 0.675 5.175 1.00 0.00 H new ATOM 0 HB3 MET A 29 -1.837 0.709 5.884 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.048 -2.031 5.927 1.00 0.00 H new ATOM 0 HG3 MET A 29 0.369 -1.128 6.427 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.432 -2.649 9.469 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.256 -2.871 8.152 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.106 -1.754 9.489 1.00 0.00 H new ATOM 424 N LEU A 30 -3.325 -1.937 5.115 1.00 0.00 N ATOM 425 CA LEU A 30 -3.963 -3.204 5.430 1.00 0.00 C ATOM 426 C LEU A 30 -5.092 -3.463 4.431 1.00 0.00 C ATOM 427 O LEU A 30 -5.119 -4.503 3.775 1.00 0.00 O ATOM 428 CB LEU A 30 -4.416 -3.227 6.891 1.00 0.00 C ATOM 429 CG LEU A 30 -3.719 -4.246 7.794 1.00 0.00 C ATOM 430 CD1 LEU A 30 -2.235 -4.365 7.442 1.00 0.00 C ATOM 431 CD2 LEU A 30 -3.933 -3.908 9.271 1.00 0.00 C ATOM 0 H LEU A 30 -3.765 -1.121 5.541 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.253 -4.025 5.328 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.264 -2.234 7.313 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.488 -3.423 6.915 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.171 -5.222 7.619 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.763 -5.096 8.099 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.132 -4.688 6.406 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.752 -3.396 7.570 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.427 -4.648 9.891 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.525 -2.919 9.481 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.000 -3.915 9.495 1.00 0.00 H new ATOM 443 N SER A 31 -5.998 -2.499 4.347 1.00 0.00 N ATOM 444 CA SER A 31 -7.127 -2.609 3.439 1.00 0.00 C ATOM 445 C SER A 31 -6.628 -2.792 2.004 1.00 0.00 C ATOM 446 O SER A 31 -7.103 -3.671 1.286 1.00 0.00 O ATOM 447 CB SER A 31 -8.032 -1.380 3.534 1.00 0.00 C ATOM 448 OG SER A 31 -9.397 -1.736 3.739 1.00 0.00 O ATOM 0 H SER A 31 -5.973 -1.638 4.893 1.00 0.00 H new ATOM 0 HA SER A 31 -7.714 -3.481 3.727 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.696 -0.745 4.354 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.944 -0.793 2.620 1.00 0.00 H new ATOM 0 HG SER A 31 -9.942 -0.923 3.796 1.00 0.00 H new ATOM 454 N LEU A 32 -5.679 -1.948 1.630 1.00 0.00 N ATOM 455 CA LEU A 32 -5.111 -2.006 0.293 1.00 0.00 C ATOM 456 C LEU A 32 -4.583 -3.417 0.029 1.00 0.00 C ATOM 457 O LEU A 32 -5.081 -4.115 -0.853 1.00 0.00 O ATOM 458 CB LEU A 32 -4.059 -0.910 0.110 1.00 0.00 C ATOM 459 CG LEU A 32 -4.043 -0.216 -1.253 1.00 0.00 C ATOM 460 CD1 LEU A 32 -4.502 -1.168 -2.359 1.00 0.00 C ATOM 461 CD2 LEU A 32 -4.872 1.070 -1.223 1.00 0.00 C ATOM 0 H LEU A 32 -5.289 -1.220 2.228 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.877 -1.807 -0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.214 -0.153 0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.075 -1.345 0.285 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.015 0.068 -1.479 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.481 -0.649 -3.317 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.835 -2.029 -2.398 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.517 -1.505 -2.151 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.844 1.544 -2.204 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.904 0.832 -0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.459 1.752 -0.479 1.00 0.00 H new ATOM 473 N LEU A 33 -3.580 -3.795 0.808 1.00 0.00 N ATOM 474 CA LEU A 33 -2.979 -5.110 0.670 1.00 0.00 C ATOM 475 C LEU A 33 -3.994 -6.177 1.083 1.00 0.00 C ATOM 476 O LEU A 33 -4.295 -7.085 0.310 1.00 0.00 O ATOM 477 CB LEU A 33 -1.662 -5.181 1.445 1.00 0.00 C ATOM 478 CG LEU A 33 -0.488 -4.404 0.847 1.00 0.00 C ATOM 479 CD1 LEU A 33 0.158 -5.183 -0.301 1.00 0.00 C ATOM 480 CD2 LEU A 33 -0.922 -3.002 0.415 1.00 0.00 C ATOM 0 H LEU A 33 -3.168 -3.213 1.537 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.720 -5.303 -0.371 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.838 -4.813 2.456 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.372 -6.228 1.533 1.00 0.00 H new ATOM 0 HG LEU A 33 0.270 -4.283 1.620 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.990 -4.608 -0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.525 -6.140 0.070 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.580 -5.357 -1.084 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.069 -2.471 -0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.708 -3.080 -0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.299 -2.455 1.279 1.00 0.00 H new ATOM 492 N GLN A 34 -4.495 -6.031 2.301 1.00 0.00 N ATOM 493 CA GLN A 34 -5.471 -6.971 2.826 1.00 0.00 C ATOM 494 C GLN A 34 -6.766 -6.900 2.015 1.00 0.00 C ATOM 495 O GLN A 34 -7.751 -7.555 2.353 1.00 0.00 O ATOM 496 CB GLN A 34 -5.738 -6.712 4.310 1.00 0.00 C ATOM 497 CG GLN A 34 -6.059 -8.015 5.045 1.00 0.00 C ATOM 498 CD GLN A 34 -7.555 -8.119 5.349 1.00 0.00 C ATOM 499 OE1 GLN A 34 -7.856 -7.982 6.637 1.00 0.00 O flip ATOM 500 NE2 GLN A 34 -8.381 -8.311 4.472 1.00 0.00 N flip ATOM 0 H GLN A 34 -4.243 -5.276 2.939 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.063 -7.978 2.734 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.866 -6.240 4.763 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.569 -6.015 4.417 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -5.748 -8.865 4.438 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -5.491 -8.062 5.974 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.082 -8.407 3.502 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -9.371 -8.375 4.709 1.00 0.00 H new ATOM 509 N LYS A 35 -6.723 -6.100 0.959 1.00 0.00 N ATOM 510 CA LYS A 35 -7.881 -5.935 0.097 1.00 0.00 C ATOM 511 C LYS A 35 -7.420 -5.862 -1.360 1.00 0.00 C ATOM 512 O LYS A 35 -8.084 -5.248 -2.194 1.00 0.00 O ATOM 513 CB LYS A 35 -8.712 -4.730 0.541 1.00 0.00 C ATOM 514 CG LYS A 35 -10.203 -4.974 0.302 1.00 0.00 C ATOM 515 CD LYS A 35 -10.631 -4.453 -1.072 1.00 0.00 C ATOM 516 CE LYS A 35 -12.155 -4.438 -1.202 1.00 0.00 C ATOM 517 NZ LYS A 35 -12.575 -3.505 -2.271 1.00 0.00 N ATOM 0 H LYS A 35 -5.904 -5.559 0.681 1.00 0.00 H new ATOM 0 HA LYS A 35 -8.543 -6.797 0.179 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.537 -4.533 1.599 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.393 -3.843 -0.006 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.417 -6.041 0.373 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.785 -4.480 1.080 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.240 -3.447 -1.221 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.202 -5.081 -1.853 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.517 -5.442 -1.425 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -12.604 -4.140 -0.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.612 -3.507 -2.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.246 -2.545 -2.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.162 -3.806 -3.177 1.00 0.00 H new ATOM 530 N GLU A 36 -6.288 -6.498 -1.622 1.00 0.00 N ATOM 531 CA GLU A 36 -5.731 -6.512 -2.963 1.00 0.00 C ATOM 532 C GLU A 36 -5.054 -7.856 -3.242 1.00 0.00 C ATOM 533 O GLU A 36 -4.390 -8.020 -4.265 1.00 0.00 O ATOM 534 CB GLU A 36 -4.752 -5.353 -3.164 1.00 0.00 C ATOM 535 CG GLU A 36 -5.491 -4.074 -3.560 1.00 0.00 C ATOM 536 CD GLU A 36 -4.581 -3.139 -4.359 1.00 0.00 C ATOM 537 OE1 GLU A 36 -4.932 -1.971 -4.580 1.00 0.00 O ATOM 538 OE2 GLU A 36 -3.471 -3.666 -4.754 1.00 0.00 O ATOM 0 H GLU A 36 -5.741 -7.008 -0.928 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.546 -6.382 -3.675 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.190 -5.183 -2.245 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.028 -5.613 -3.937 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.370 -4.327 -4.153 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.847 -3.564 -2.665 1.00 0.00 H new ATOM 546 N GLY A 37 -5.245 -8.782 -2.315 1.00 0.00 N ATOM 547 CA GLY A 37 -4.661 -10.106 -2.448 1.00 0.00 C ATOM 548 C GLY A 37 -3.482 -10.285 -1.489 1.00 0.00 C ATOM 549 O GLY A 37 -2.521 -10.986 -1.804 1.00 0.00 O ATOM 0 H GLY A 37 -5.796 -8.642 -1.468 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.418 -10.863 -2.244 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.326 -10.258 -3.474 1.00 0.00 H new ATOM 553 N LEU A 38 -3.594 -9.638 -0.338 1.00 0.00 N ATOM 554 CA LEU A 38 -2.549 -9.717 0.669 1.00 0.00 C ATOM 555 C LEU A 38 -3.179 -10.029 2.028 1.00 0.00 C ATOM 556 O LEU A 38 -2.893 -9.357 3.017 1.00 0.00 O ATOM 557 CB LEU A 38 -1.701 -8.443 0.662 1.00 0.00 C ATOM 558 CG LEU A 38 -0.987 -8.121 -0.652 1.00 0.00 C ATOM 559 CD1 LEU A 38 -0.313 -9.366 -1.230 1.00 0.00 C ATOM 560 CD2 LEU A 38 -1.945 -7.471 -1.652 1.00 0.00 C ATOM 0 H LEU A 38 -4.392 -9.057 -0.080 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.861 -10.531 0.441 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.344 -7.601 0.919 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.952 -8.524 1.449 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.199 -7.397 -0.443 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.187 -9.109 -2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.420 -9.746 -0.519 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.065 -10.132 -1.420 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.412 -7.252 -2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.770 -8.152 -1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.337 -6.545 -1.231 1.00 0.00 H new ATOM 572 N LEU A 39 -4.025 -11.049 2.032 1.00 0.00 N ATOM 573 CA LEU A 39 -4.698 -11.458 3.253 1.00 0.00 C ATOM 574 C LEU A 39 -3.954 -12.646 3.867 1.00 0.00 C ATOM 575 O LEU A 39 -4.471 -13.311 4.763 1.00 0.00 O ATOM 576 CB LEU A 39 -6.178 -11.733 2.983 1.00 0.00 C ATOM 577 CG LEU A 39 -7.171 -11.043 3.921 1.00 0.00 C ATOM 578 CD1 LEU A 39 -8.596 -11.542 3.674 1.00 0.00 C ATOM 579 CD2 LEU A 39 -6.750 -11.210 5.383 1.00 0.00 C ATOM 0 H LEU A 39 -4.260 -11.604 1.209 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.676 -10.653 3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.403 -11.429 1.961 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.343 -12.809 3.039 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.162 -9.975 3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.282 -11.036 4.354 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.883 -11.329 2.644 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.640 -12.617 3.848 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.472 -10.711 6.029 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.713 -12.271 5.632 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.765 -10.768 5.531 1.00 0.00 H new ATOM 591 N MET A 40 -2.751 -12.876 3.360 1.00 0.00 N ATOM 592 CA MET A 40 -1.931 -13.972 3.847 1.00 0.00 C ATOM 593 C MET A 40 -0.885 -13.472 4.846 1.00 0.00 C ATOM 594 O MET A 40 0.137 -14.123 5.057 1.00 0.00 O ATOM 595 CB MET A 40 -1.229 -14.648 2.667 1.00 0.00 C ATOM 596 CG MET A 40 -1.140 -16.161 2.876 1.00 0.00 C ATOM 597 SD MET A 40 -2.324 -16.992 1.830 1.00 0.00 S ATOM 598 CE MET A 40 -1.282 -18.259 1.128 1.00 0.00 C ATOM 0 H MET A 40 -2.325 -12.322 2.617 1.00 0.00 H new ATOM 0 HA MET A 40 -2.578 -14.688 4.355 1.00 0.00 H new ATOM 0 HB2 MET A 40 -1.772 -14.436 1.746 1.00 0.00 H new ATOM 0 HB3 MET A 40 -0.228 -14.234 2.549 1.00 0.00 H new ATOM 0 HG2 MET A 40 -0.133 -16.509 2.647 1.00 0.00 H new ATOM 0 HG3 MET A 40 -1.332 -16.404 3.921 1.00 0.00 H new ATOM 0 HE1 MET A 40 -1.867 -18.874 0.445 1.00 0.00 H new ATOM 0 HE2 MET A 40 -0.460 -17.794 0.584 1.00 0.00 H new ATOM 0 HE3 MET A 40 -0.881 -18.884 1.926 1.00 0.00 H new ATOM 608 N SER A 41 -1.177 -12.321 5.433 1.00 0.00 N ATOM 609 CA SER A 41 -0.274 -11.726 6.404 1.00 0.00 C ATOM 610 C SER A 41 0.467 -10.545 5.775 1.00 0.00 C ATOM 611 O SER A 41 0.817 -10.583 4.597 1.00 0.00 O ATOM 612 CB SER A 41 0.724 -12.758 6.932 1.00 0.00 C ATOM 613 OG SER A 41 1.373 -12.314 8.121 1.00 0.00 O ATOM 0 H SER A 41 -2.026 -11.784 5.255 1.00 0.00 H new ATOM 0 HA SER A 41 -0.866 -11.368 7.247 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.205 -13.696 7.131 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.472 -12.964 6.166 1.00 0.00 H new ATOM 0 HG SER A 41 2.001 -13.001 8.427 1.00 0.00 H new ATOM 619 N PRO A 42 0.689 -9.495 6.611 1.00 0.00 N ATOM 620 CA PRO A 42 1.383 -8.305 6.149 1.00 0.00 C ATOM 621 C PRO A 42 2.885 -8.562 6.016 1.00 0.00 C ATOM 622 O PRO A 42 3.632 -7.686 5.582 1.00 0.00 O ATOM 623 CB PRO A 42 1.052 -7.234 7.176 1.00 0.00 C ATOM 624 CG PRO A 42 0.574 -7.976 8.413 1.00 0.00 C ATOM 625 CD PRO A 42 0.289 -9.414 8.012 1.00 0.00 C ATOM 0 HA PRO A 42 1.068 -7.994 5.153 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.927 -6.624 7.400 1.00 0.00 H new ATOM 0 HB3 PRO A 42 0.281 -6.560 6.803 1.00 0.00 H new ATOM 0 HG2 PRO A 42 1.332 -7.941 9.196 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.323 -7.507 8.817 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.854 -10.116 8.626 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.766 -9.658 8.137 1.00 0.00 H new ATOM 633 N SER A 43 3.283 -9.767 6.396 1.00 0.00 N ATOM 634 CA SER A 43 4.682 -10.150 6.325 1.00 0.00 C ATOM 635 C SER A 43 5.136 -10.204 4.864 1.00 0.00 C ATOM 636 O SER A 43 6.333 -10.177 4.581 1.00 0.00 O ATOM 637 CB SER A 43 4.919 -11.500 7.004 1.00 0.00 C ATOM 638 OG SER A 43 5.770 -11.384 8.141 1.00 0.00 O ATOM 0 H SER A 43 2.660 -10.491 6.754 1.00 0.00 H new ATOM 0 HA SER A 43 5.269 -9.400 6.854 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.963 -11.925 7.309 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.362 -12.193 6.289 1.00 0.00 H new ATOM 0 HG SER A 43 6.703 -11.504 7.865 1.00 0.00 H new ATOM 644 N ASP A 44 4.156 -10.279 3.976 1.00 0.00 N ATOM 645 CA ASP A 44 4.440 -10.337 2.552 1.00 0.00 C ATOM 646 C ASP A 44 5.688 -9.506 2.251 1.00 0.00 C ATOM 647 O ASP A 44 6.520 -9.902 1.436 1.00 0.00 O ATOM 648 CB ASP A 44 3.281 -9.762 1.736 1.00 0.00 C ATOM 649 CG ASP A 44 3.484 -9.784 0.219 1.00 0.00 C ATOM 650 OD1 ASP A 44 3.885 -10.807 -0.356 1.00 0.00 O ATOM 651 OD2 ASP A 44 3.208 -8.678 -0.384 1.00 0.00 O ATOM 0 H ASP A 44 3.165 -10.301 4.215 1.00 0.00 H new ATOM 0 HA ASP A 44 4.589 -11.382 2.280 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.376 -10.321 1.974 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.111 -8.732 2.050 1.00 0.00 H new ATOM 657 N LEU A 45 5.780 -8.369 2.925 1.00 0.00 N ATOM 658 CA LEU A 45 6.913 -7.479 2.740 1.00 0.00 C ATOM 659 C LEU A 45 8.211 -8.279 2.867 1.00 0.00 C ATOM 660 O LEU A 45 9.204 -7.966 2.212 1.00 0.00 O ATOM 661 CB LEU A 45 6.826 -6.293 3.703 1.00 0.00 C ATOM 662 CG LEU A 45 8.159 -5.747 4.218 1.00 0.00 C ATOM 663 CD1 LEU A 45 7.966 -4.403 4.922 1.00 0.00 C ATOM 664 CD2 LEU A 45 8.860 -6.769 5.115 1.00 0.00 C ATOM 0 H LEU A 45 5.088 -8.044 3.600 1.00 0.00 H new ATOM 0 HA LEU A 45 6.899 -7.049 1.738 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.293 -5.484 3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.222 -6.591 4.561 1.00 0.00 H new ATOM 0 HG LEU A 45 8.810 -5.571 3.361 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.929 -4.037 5.278 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.541 -3.683 4.222 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.290 -4.529 5.768 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.805 -6.356 5.468 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.224 -7.000 5.969 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.051 -7.680 4.548 1.00 0.00 H new ATOM 676 N TYR A 46 8.161 -9.297 3.714 1.00 0.00 N ATOM 677 CA TYR A 46 9.321 -10.144 3.935 1.00 0.00 C ATOM 678 C TYR A 46 9.826 -10.737 2.617 1.00 0.00 C ATOM 679 O TYR A 46 10.849 -11.419 2.591 1.00 0.00 O ATOM 680 CB TYR A 46 8.846 -11.281 4.842 1.00 0.00 C ATOM 681 CG TYR A 46 8.851 -10.931 6.332 1.00 0.00 C ATOM 682 CD1 TYR A 46 9.600 -9.865 6.788 1.00 0.00 C ATOM 683 CD2 TYR A 46 8.106 -11.681 7.219 1.00 0.00 C ATOM 684 CE1 TYR A 46 9.604 -9.536 8.190 1.00 0.00 C ATOM 685 CE2 TYR A 46 8.111 -11.352 8.621 1.00 0.00 C ATOM 686 CZ TYR A 46 8.859 -10.295 9.037 1.00 0.00 C ATOM 687 OH TYR A 46 8.864 -9.984 10.361 1.00 0.00 O ATOM 0 H TYR A 46 7.336 -9.554 4.255 1.00 0.00 H new ATOM 0 HA TYR A 46 10.137 -9.570 4.375 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.836 -11.567 4.550 1.00 0.00 H new ATOM 0 HB3 TYR A 46 9.483 -12.151 4.681 1.00 0.00 H new ATOM 0 HD1 TYR A 46 10.183 -9.278 6.094 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.519 -12.514 6.862 1.00 0.00 H new ATOM 0 HE1 TYR A 46 10.186 -8.705 8.560 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.534 -11.932 9.326 1.00 0.00 H new ATOM 0 HH TYR A 46 8.287 -10.610 10.846 1.00 0.00 H new ATOM 697 N SER A 47 9.085 -10.454 1.556 1.00 0.00 N ATOM 698 CA SER A 47 9.445 -10.951 0.239 1.00 0.00 C ATOM 699 C SER A 47 9.842 -9.785 -0.669 1.00 0.00 C ATOM 700 O SER A 47 9.336 -8.674 -0.516 1.00 0.00 O ATOM 701 CB SER A 47 8.293 -11.741 -0.386 1.00 0.00 C ATOM 702 OG SER A 47 8.558 -12.091 -1.741 1.00 0.00 O ATOM 0 H SER A 47 8.237 -9.887 1.581 1.00 0.00 H new ATOM 0 HA SER A 47 10.295 -11.625 0.348 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.118 -12.647 0.195 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.379 -11.149 -0.337 1.00 0.00 H new ATOM 0 HG SER A 47 7.800 -12.595 -2.103 1.00 0.00 H new ATOM 708 N PRO A 48 10.767 -10.086 -1.619 1.00 0.00 N ATOM 709 CA PRO A 48 11.238 -9.076 -2.552 1.00 0.00 C ATOM 710 C PRO A 48 10.184 -8.784 -3.622 1.00 0.00 C ATOM 711 O PRO A 48 9.803 -9.673 -4.382 1.00 0.00 O ATOM 712 CB PRO A 48 12.527 -9.641 -3.127 1.00 0.00 C ATOM 713 CG PRO A 48 12.487 -11.135 -2.848 1.00 0.00 C ATOM 714 CD PRO A 48 11.388 -11.390 -1.830 1.00 0.00 C ATOM 0 HA PRO A 48 11.419 -8.114 -2.073 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.596 -9.445 -4.197 1.00 0.00 H new ATOM 0 HB3 PRO A 48 13.398 -9.180 -2.661 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.293 -11.690 -3.766 1.00 0.00 H new ATOM 0 HG3 PRO A 48 13.448 -11.478 -2.466 1.00 0.00 H new ATOM 0 HD2 PRO A 48 10.666 -12.117 -2.201 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.794 -11.790 -0.901 1.00 0.00 H new ATOM 722 N GLY A 49 9.742 -7.535 -3.647 1.00 0.00 N ATOM 723 CA GLY A 49 8.739 -7.115 -4.611 1.00 0.00 C ATOM 724 C GLY A 49 7.342 -7.568 -4.182 1.00 0.00 C ATOM 725 O GLY A 49 6.601 -8.144 -4.977 1.00 0.00 O ATOM 0 H GLY A 49 10.060 -6.800 -3.015 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.758 -6.030 -4.712 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.975 -7.530 -5.591 1.00 0.00 H new ATOM 729 N SER A 50 7.025 -7.291 -2.925 1.00 0.00 N ATOM 730 CA SER A 50 5.730 -7.663 -2.381 1.00 0.00 C ATOM 731 C SER A 50 4.693 -6.590 -2.718 1.00 0.00 C ATOM 732 O SER A 50 3.525 -6.714 -2.353 1.00 0.00 O ATOM 733 CB SER A 50 5.808 -7.869 -0.867 1.00 0.00 C ATOM 734 OG SER A 50 5.802 -9.250 -0.516 1.00 0.00 O ATOM 0 H SER A 50 7.643 -6.814 -2.268 1.00 0.00 H new ATOM 0 HA SER A 50 5.427 -8.607 -2.834 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.715 -7.401 -0.484 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.965 -7.370 -0.389 1.00 0.00 H new ATOM 0 HG SER A 50 6.484 -9.417 0.168 1.00 0.00 H new ATOM 740 N TRP A 51 5.157 -5.560 -3.411 1.00 0.00 N ATOM 741 CA TRP A 51 4.285 -4.466 -3.801 1.00 0.00 C ATOM 742 C TRP A 51 3.832 -4.713 -5.242 1.00 0.00 C ATOM 743 O TRP A 51 2.972 -4.001 -5.757 1.00 0.00 O ATOM 744 CB TRP A 51 4.981 -3.117 -3.616 1.00 0.00 C ATOM 745 CG TRP A 51 5.074 -2.659 -2.159 1.00 0.00 C ATOM 746 CD1 TRP A 51 5.930 -3.075 -1.217 1.00 0.00 C ATOM 747 CD2 TRP A 51 4.241 -1.673 -1.513 1.00 0.00 C ATOM 748 NE1 TRP A 51 5.711 -2.433 -0.015 1.00 0.00 N ATOM 749 CE2 TRP A 51 4.651 -1.553 -0.201 1.00 0.00 C ATOM 750 CE3 TRP A 51 3.176 -0.908 -2.020 1.00 0.00 C ATOM 751 CZ2 TRP A 51 4.052 -0.678 0.713 1.00 0.00 C ATOM 752 CZ3 TRP A 51 2.588 -0.038 -1.095 1.00 0.00 C ATOM 753 CH2 TRP A 51 2.989 0.095 0.230 1.00 0.00 C ATOM 0 H TRP A 51 6.126 -5.461 -3.712 1.00 0.00 H new ATOM 0 HA TRP A 51 3.404 -4.428 -3.161 1.00 0.00 H new ATOM 0 HB2 TRP A 51 5.987 -3.179 -4.032 1.00 0.00 H new ATOM 0 HB3 TRP A 51 4.445 -2.361 -4.190 1.00 0.00 H new ATOM 0 HD1 TRP A 51 6.696 -3.819 -1.378 1.00 0.00 H new ATOM 0 HE1 TRP A 51 6.231 -2.578 0.850 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.838 -0.986 -3.043 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.391 -0.603 1.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.765 0.573 -1.434 1.00 0.00 H new ATOM 0 HH2 TRP A 51 2.483 0.791 0.883 1.00 0.00 H new ATOM 764 N ASP A 52 4.433 -5.724 -5.852 1.00 0.00 N ATOM 765 CA ASP A 52 4.103 -6.073 -7.223 1.00 0.00 C ATOM 766 C ASP A 52 2.774 -6.831 -7.246 1.00 0.00 C ATOM 767 O ASP A 52 2.060 -6.809 -8.248 1.00 0.00 O ATOM 768 CB ASP A 52 5.174 -6.980 -7.834 1.00 0.00 C ATOM 769 CG ASP A 52 5.583 -6.624 -9.265 1.00 0.00 C ATOM 770 OD1 ASP A 52 5.804 -7.509 -10.104 1.00 0.00 O ATOM 771 OD2 ASP A 52 5.673 -5.360 -9.508 1.00 0.00 O ATOM 0 H ASP A 52 5.147 -6.312 -5.422 1.00 0.00 H new ATOM 0 HA ASP A 52 4.040 -5.150 -7.800 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.060 -6.948 -7.200 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.809 -8.007 -7.821 1.00 0.00 H new ATOM 777 N PRO A 53 2.474 -7.500 -6.101 1.00 0.00 N ATOM 778 CA PRO A 53 1.243 -8.262 -5.980 1.00 0.00 C ATOM 779 C PRO A 53 0.040 -7.336 -5.795 1.00 0.00 C ATOM 780 O PRO A 53 -1.053 -7.627 -6.279 1.00 0.00 O ATOM 781 CB PRO A 53 1.468 -9.188 -4.795 1.00 0.00 C ATOM 782 CG PRO A 53 2.625 -8.589 -4.013 1.00 0.00 C ATOM 783 CD PRO A 53 3.295 -7.548 -4.895 1.00 0.00 C ATOM 0 HA PRO A 53 1.014 -8.835 -6.878 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.573 -9.256 -4.177 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.703 -10.199 -5.128 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.266 -8.133 -3.090 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.337 -9.365 -3.730 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.332 -6.576 -4.402 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.323 -7.827 -5.127 1.00 0.00 H new ATOM 791 N ILE A 54 0.281 -6.238 -5.093 1.00 0.00 N ATOM 792 CA ILE A 54 -0.769 -5.267 -4.838 1.00 0.00 C ATOM 793 C ILE A 54 -0.962 -4.393 -6.079 1.00 0.00 C ATOM 794 O ILE A 54 -2.037 -3.832 -6.287 1.00 0.00 O ATOM 795 CB ILE A 54 -0.466 -4.472 -3.567 1.00 0.00 C ATOM 796 CG1 ILE A 54 -1.722 -4.312 -2.707 1.00 0.00 C ATOM 797 CG2 ILE A 54 0.173 -3.123 -3.903 1.00 0.00 C ATOM 798 CD1 ILE A 54 -1.986 -2.839 -2.389 1.00 0.00 C ATOM 0 H ILE A 54 1.188 -6.000 -4.693 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.717 -5.771 -4.652 1.00 0.00 H new ATOM 0 HB ILE A 54 0.259 -5.034 -2.978 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.581 -4.734 -3.229 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.606 -4.873 -1.779 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.378 -2.578 -2.982 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.106 -3.287 -4.443 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.509 -2.542 -4.524 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.884 -2.754 -1.777 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.136 -2.426 -1.846 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.126 -2.286 -3.318 1.00 0.00 H new ATOM 810 N THR A 55 0.097 -4.303 -6.871 1.00 0.00 N ATOM 811 CA THR A 55 0.057 -3.507 -8.085 1.00 0.00 C ATOM 812 C THR A 55 -0.932 -4.108 -9.086 1.00 0.00 C ATOM 813 O THR A 55 -1.859 -3.432 -9.530 1.00 0.00 O ATOM 814 CB THR A 55 1.484 -3.404 -8.629 1.00 0.00 C ATOM 815 OG1 THR A 55 2.052 -2.315 -7.908 1.00 0.00 O ATOM 816 CG2 THR A 55 1.522 -2.945 -10.088 1.00 0.00 C ATOM 0 H THR A 55 0.987 -4.768 -6.695 1.00 0.00 H new ATOM 0 HA THR A 55 -0.305 -2.499 -7.885 1.00 0.00 H new ATOM 0 HB THR A 55 1.978 -4.372 -8.540 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.923 -2.581 -7.547 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.557 -2.889 -10.425 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.977 -3.657 -10.708 1.00 0.00 H new ATOM 0 HG23 THR A 55 1.059 -1.962 -10.172 1.00 0.00 H new ATOM 824 N ALA A 56 -0.702 -5.372 -9.411 1.00 0.00 N ATOM 825 CA ALA A 56 -1.561 -6.071 -10.350 1.00 0.00 C ATOM 826 C ALA A 56 -2.881 -6.425 -9.662 1.00 0.00 C ATOM 827 O ALA A 56 -3.845 -6.811 -10.321 1.00 0.00 O ATOM 828 CB ALA A 56 -0.834 -7.307 -10.885 1.00 0.00 C ATOM 0 H ALA A 56 0.067 -5.930 -9.040 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.794 -5.434 -11.203 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.479 -7.832 -11.590 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.082 -7.000 -11.390 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.586 -7.971 -10.056 1.00 0.00 H new ATOM 834 N ALA A 57 -2.882 -6.279 -8.345 1.00 0.00 N ATOM 835 CA ALA A 57 -4.068 -6.578 -7.560 1.00 0.00 C ATOM 836 C ALA A 57 -5.212 -5.665 -8.005 1.00 0.00 C ATOM 837 O ALA A 57 -6.118 -6.100 -8.714 1.00 0.00 O ATOM 838 CB ALA A 57 -3.746 -6.426 -6.071 1.00 0.00 C ATOM 0 H ALA A 57 -2.081 -5.958 -7.802 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.386 -7.608 -7.722 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.635 -6.650 -5.482 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.947 -7.116 -5.799 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.426 -5.403 -5.870 1.00 0.00 H new ATOM 844 N LEU A 58 -5.134 -4.416 -7.569 1.00 0.00 N ATOM 845 CA LEU A 58 -6.152 -3.439 -7.914 1.00 0.00 C ATOM 846 C LEU A 58 -6.315 -3.393 -9.435 1.00 0.00 C ATOM 847 O LEU A 58 -7.427 -3.249 -9.940 1.00 0.00 O ATOM 848 CB LEU A 58 -5.825 -2.081 -7.290 1.00 0.00 C ATOM 849 CG LEU A 58 -4.651 -1.322 -7.911 1.00 0.00 C ATOM 850 CD1 LEU A 58 -3.363 -2.144 -7.832 1.00 0.00 C ATOM 851 CD2 LEU A 58 -4.971 -0.896 -9.346 1.00 0.00 C ATOM 0 H LEU A 58 -4.382 -4.059 -6.980 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.116 -3.731 -7.498 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.713 -1.452 -7.353 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.615 -2.231 -6.231 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.489 -0.412 -7.333 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.544 -1.581 -8.280 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.130 -2.355 -6.788 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.496 -3.082 -8.371 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.120 -0.358 -9.764 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.175 -1.780 -9.951 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.846 -0.246 -9.346 1.00 0.00 H new ATOM 863 N SER A 59 -5.189 -3.518 -10.122 1.00 0.00 N ATOM 864 CA SER A 59 -5.193 -3.493 -11.575 1.00 0.00 C ATOM 865 C SER A 59 -6.012 -4.666 -12.117 1.00 0.00 C ATOM 866 O SER A 59 -6.812 -4.497 -13.036 1.00 0.00 O ATOM 867 CB SER A 59 -3.768 -3.538 -12.131 1.00 0.00 C ATOM 868 OG SER A 59 -3.653 -2.836 -13.365 1.00 0.00 O ATOM 0 H SER A 59 -4.268 -3.637 -9.700 1.00 0.00 H new ATOM 0 HA SER A 59 -5.651 -2.559 -11.899 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.081 -3.106 -11.403 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.468 -4.576 -12.275 1.00 0.00 H new ATOM 0 HG SER A 59 -2.728 -2.887 -13.685 1.00 0.00 H new ATOM 874 N GLN A 60 -5.783 -5.829 -11.525 1.00 0.00 N ATOM 875 CA GLN A 60 -6.490 -7.030 -11.937 1.00 0.00 C ATOM 876 C GLN A 60 -7.955 -6.960 -11.501 1.00 0.00 C ATOM 877 O GLN A 60 -8.796 -7.692 -12.019 1.00 0.00 O ATOM 878 CB GLN A 60 -5.811 -8.283 -11.380 1.00 0.00 C ATOM 879 CG GLN A 60 -4.657 -8.728 -12.281 1.00 0.00 C ATOM 880 CD GLN A 60 -5.181 -9.318 -13.592 1.00 0.00 C ATOM 881 OE1 GLN A 60 -6.142 -10.069 -13.624 1.00 0.00 O ATOM 882 NE2 GLN A 60 -4.497 -8.938 -14.667 1.00 0.00 N ATOM 0 H GLN A 60 -5.118 -5.965 -10.764 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.458 -7.092 -13.025 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.437 -8.082 -10.376 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -6.541 -9.088 -11.293 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.009 -7.878 -12.494 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -4.050 -9.469 -11.761 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.702 -8.307 -14.569 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -4.767 -9.278 -15.590 1.00 0.00 H new ATOM 891 N ARG A 61 -8.215 -6.072 -10.552 1.00 0.00 N ATOM 892 CA ARG A 61 -9.563 -5.897 -10.040 1.00 0.00 C ATOM 893 C ARG A 61 -9.734 -4.490 -9.465 1.00 0.00 C ATOM 894 O ARG A 61 -10.002 -4.330 -8.275 1.00 0.00 O ATOM 895 CB ARG A 61 -9.878 -6.927 -8.953 1.00 0.00 C ATOM 896 CG ARG A 61 -10.671 -8.103 -9.526 1.00 0.00 C ATOM 897 CD ARG A 61 -12.174 -7.819 -9.493 1.00 0.00 C ATOM 898 NE ARG A 61 -12.795 -8.511 -8.342 1.00 0.00 N ATOM 899 CZ ARG A 61 -13.086 -9.829 -8.318 1.00 0.00 C ATOM 900 NH1 ARG A 61 -12.815 -10.610 -9.385 1.00 0.00 N ATOM 901 NH2 ARG A 61 -13.641 -10.342 -7.235 1.00 0.00 N ATOM 0 H ARG A 61 -7.514 -5.466 -10.125 1.00 0.00 H new ATOM 0 HA ARG A 61 -10.254 -6.040 -10.871 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.950 -7.290 -8.511 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.448 -6.454 -8.153 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.356 -8.293 -10.552 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -10.455 -9.005 -8.954 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.348 -6.745 -9.419 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.636 -8.154 -10.422 1.00 0.00 H new ATOM 0 HE ARG A 61 -13.017 -7.957 -7.515 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.387 -10.205 -10.218 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -13.038 -11.605 -9.359 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.843 -9.744 -6.434 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.867 -11.336 -7.200 1.00 0.00 H new ATOM 914 N ALA A 62 -9.571 -3.505 -10.336 1.00 0.00 N ATOM 915 CA ALA A 62 -9.704 -2.116 -9.929 1.00 0.00 C ATOM 916 C ALA A 62 -11.186 -1.738 -9.898 1.00 0.00 C ATOM 917 O ALA A 62 -11.534 -0.601 -9.581 1.00 0.00 O ATOM 918 CB ALA A 62 -8.895 -1.227 -10.875 1.00 0.00 C ATOM 0 H ALA A 62 -9.348 -3.641 -11.322 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.306 -1.970 -8.925 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.995 -0.185 -10.570 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.845 -1.517 -10.838 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.268 -1.344 -11.892 1.00 0.00 H new ATOM 924 N MET A 63 -12.020 -2.712 -10.232 1.00 0.00 N ATOM 925 CA MET A 63 -13.457 -2.495 -10.246 1.00 0.00 C ATOM 926 C MET A 63 -14.031 -2.532 -8.828 1.00 0.00 C ATOM 927 O MET A 63 -15.211 -2.250 -8.625 1.00 0.00 O ATOM 928 CB MET A 63 -14.128 -3.576 -11.097 1.00 0.00 C ATOM 929 CG MET A 63 -14.374 -3.077 -12.522 1.00 0.00 C ATOM 930 SD MET A 63 -14.485 -4.461 -13.643 1.00 0.00 S ATOM 931 CE MET A 63 -13.106 -4.102 -14.717 1.00 0.00 C ATOM 0 H MET A 63 -11.728 -3.653 -10.495 1.00 0.00 H new ATOM 0 HA MET A 63 -13.653 -1.511 -10.672 1.00 0.00 H new ATOM 0 HB2 MET A 63 -13.499 -4.466 -11.123 1.00 0.00 H new ATOM 0 HB3 MET A 63 -15.074 -3.867 -10.641 1.00 0.00 H new ATOM 0 HG2 MET A 63 -15.295 -2.494 -12.558 1.00 0.00 H new ATOM 0 HG3 MET A 63 -13.565 -2.414 -12.829 1.00 0.00 H new ATOM 0 HE1 MET A 63 -13.030 -4.875 -15.482 1.00 0.00 H new ATOM 0 HE2 MET A 63 -13.258 -3.133 -15.193 1.00 0.00 H new ATOM 0 HE3 MET A 63 -12.186 -4.078 -14.133 1.00 0.00 H new ATOM 941 N ILE A 64 -13.170 -2.882 -7.884 1.00 0.00 N ATOM 942 CA ILE A 64 -13.576 -2.959 -6.491 1.00 0.00 C ATOM 943 C ILE A 64 -13.104 -1.703 -5.756 1.00 0.00 C ATOM 944 O ILE A 64 -13.555 -1.422 -4.647 1.00 0.00 O ATOM 945 CB ILE A 64 -13.083 -4.263 -5.861 1.00 0.00 C ATOM 946 CG1 ILE A 64 -11.775 -4.724 -6.506 1.00 0.00 C ATOM 947 CG2 ILE A 64 -14.164 -5.344 -5.920 1.00 0.00 C ATOM 948 CD1 ILE A 64 -11.262 -6.007 -5.850 1.00 0.00 C ATOM 0 H ILE A 64 -12.192 -3.116 -8.057 1.00 0.00 H new ATOM 0 HA ILE A 64 -14.663 -2.985 -6.412 1.00 0.00 H new ATOM 0 HB ILE A 64 -12.873 -4.075 -4.808 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -11.931 -4.893 -7.571 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -11.024 -3.939 -6.415 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -13.787 -6.260 -5.466 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -15.047 -5.006 -5.377 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -14.429 -5.537 -6.959 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -10.331 -6.313 -6.328 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -11.084 -5.827 -4.790 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -12.005 -6.796 -5.965 1.00 0.00 H new ATOM 960 N LEU A 65 -12.202 -0.981 -6.404 1.00 0.00 N ATOM 961 CA LEU A 65 -11.664 0.239 -5.826 1.00 0.00 C ATOM 962 C LEU A 65 -11.731 1.362 -6.862 1.00 0.00 C ATOM 963 O LEU A 65 -11.538 1.126 -8.054 1.00 0.00 O ATOM 964 CB LEU A 65 -10.257 -0.005 -5.275 1.00 0.00 C ATOM 965 CG LEU A 65 -9.814 -1.467 -5.192 1.00 0.00 C ATOM 966 CD1 LEU A 65 -8.335 -1.571 -4.813 1.00 0.00 C ATOM 967 CD2 LEU A 65 -10.707 -2.259 -4.235 1.00 0.00 C ATOM 0 H LEU A 65 -11.830 -1.217 -7.324 1.00 0.00 H new ATOM 0 HA LEU A 65 -12.266 0.554 -4.974 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.545 0.535 -5.899 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.199 0.429 -4.277 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.926 -1.913 -6.180 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.046 -2.621 -4.761 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.730 -1.065 -5.565 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.174 -1.102 -3.842 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.369 -3.295 -4.195 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.651 -1.821 -3.239 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.738 -2.227 -4.588 1.00 0.00 H new ATOM 979 N GLY A 66 -12.006 2.562 -6.370 1.00 0.00 N ATOM 980 CA GLY A 66 -12.102 3.723 -7.239 1.00 0.00 C ATOM 981 C GLY A 66 -13.536 3.920 -7.735 1.00 0.00 C ATOM 982 O GLY A 66 -13.943 5.040 -8.038 1.00 0.00 O ATOM 0 H GLY A 66 -12.165 2.755 -5.381 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -11.774 4.612 -6.701 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.433 3.601 -8.090 1.00 0.00 H new ATOM 986 N LYS A 67 -14.262 2.813 -7.802 1.00 0.00 N ATOM 987 CA LYS A 67 -15.642 2.850 -8.256 1.00 0.00 C ATOM 988 C LYS A 67 -16.551 2.298 -7.157 1.00 0.00 C ATOM 989 O LYS A 67 -17.581 2.892 -6.841 1.00 0.00 O ATOM 990 CB LYS A 67 -15.785 2.124 -9.595 1.00 0.00 C ATOM 991 CG LYS A 67 -17.193 2.298 -10.166 1.00 0.00 C ATOM 992 CD LYS A 67 -17.143 2.856 -11.590 1.00 0.00 C ATOM 993 CE LYS A 67 -18.264 3.871 -11.821 1.00 0.00 C ATOM 994 NZ LYS A 67 -17.712 5.148 -12.328 1.00 0.00 N ATOM 0 H LYS A 67 -13.921 1.886 -7.550 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.954 3.878 -8.442 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -15.052 2.511 -10.302 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -15.571 1.063 -9.462 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -17.710 1.339 -10.166 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -17.767 2.970 -9.528 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -16.177 3.330 -11.765 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -17.233 2.040 -12.307 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -18.984 3.470 -12.535 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -18.802 4.045 -10.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -18.487 5.825 -12.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -17.043 5.537 -11.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.219 4.980 -13.228 1.00 0.00 H new ATOM 1007 N SER A 68 -16.137 1.167 -6.604 1.00 0.00 N ATOM 1008 CA SER A 68 -16.902 0.528 -5.547 1.00 0.00 C ATOM 1009 C SER A 68 -16.170 0.672 -4.211 1.00 0.00 C ATOM 1010 O SER A 68 -16.761 0.474 -3.151 1.00 0.00 O ATOM 1011 CB SER A 68 -17.147 -0.950 -5.860 1.00 0.00 C ATOM 1012 OG SER A 68 -18.248 -1.131 -6.748 1.00 0.00 O ATOM 0 H SER A 68 -15.282 0.677 -6.868 1.00 0.00 H new ATOM 0 HA SER A 68 -17.871 1.023 -5.479 1.00 0.00 H new ATOM 0 HB2 SER A 68 -16.249 -1.381 -6.303 1.00 0.00 H new ATOM 0 HB3 SER A 68 -17.336 -1.491 -4.933 1.00 0.00 H new ATOM 0 HG SER A 68 -18.372 -2.087 -6.925 1.00 0.00 H new ATOM 1018 N GLY A 69 -14.894 1.016 -4.306 1.00 0.00 N ATOM 1019 CA GLY A 69 -14.075 1.189 -3.119 1.00 0.00 C ATOM 1020 C GLY A 69 -13.359 2.541 -3.139 1.00 0.00 C ATOM 1021 O GLY A 69 -13.963 3.572 -2.847 1.00 0.00 O ATOM 0 H GLY A 69 -14.407 1.180 -5.187 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.699 1.117 -2.228 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.341 0.386 -3.059 1.00 0.00 H new ATOM 1025 N GLU A 70 -12.081 2.493 -3.486 1.00 0.00 N ATOM 1026 CA GLU A 70 -11.277 3.701 -3.548 1.00 0.00 C ATOM 1027 C GLU A 70 -9.834 3.360 -3.925 1.00 0.00 C ATOM 1028 O GLU A 70 -8.940 3.407 -3.082 1.00 0.00 O ATOM 1029 CB GLU A 70 -11.331 4.464 -2.223 1.00 0.00 C ATOM 1030 CG GLU A 70 -11.134 5.965 -2.446 1.00 0.00 C ATOM 1031 CD GLU A 70 -12.478 6.675 -2.616 1.00 0.00 C ATOM 1032 OE1 GLU A 70 -13.481 6.030 -2.957 1.00 0.00 O ATOM 1033 OE2 GLU A 70 -12.459 7.943 -2.380 1.00 0.00 O ATOM 0 H GLU A 70 -11.583 1.636 -3.727 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.690 4.349 -4.321 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.290 4.288 -1.737 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.559 4.088 -1.551 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.596 6.394 -1.601 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.519 6.127 -3.331 1.00 0.00 H new ATOM 1041 N LEU A 71 -9.652 3.023 -5.194 1.00 0.00 N ATOM 1042 CA LEU A 71 -8.333 2.673 -5.693 1.00 0.00 C ATOM 1043 C LEU A 71 -7.377 3.846 -5.461 1.00 0.00 C ATOM 1044 O LEU A 71 -6.161 3.665 -5.441 1.00 0.00 O ATOM 1045 CB LEU A 71 -8.414 2.227 -7.154 1.00 0.00 C ATOM 1046 CG LEU A 71 -7.627 0.965 -7.514 1.00 0.00 C ATOM 1047 CD1 LEU A 71 -8.517 -0.049 -8.237 1.00 0.00 C ATOM 1048 CD2 LEU A 71 -6.377 1.312 -8.326 1.00 0.00 C ATOM 0 H LEU A 71 -10.396 2.985 -5.891 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.932 1.820 -5.145 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.462 2.062 -7.405 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.060 3.044 -7.783 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.291 0.496 -6.589 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.933 -0.936 -8.481 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.349 -0.329 -7.591 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.903 0.395 -9.154 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.836 0.398 -8.569 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.670 1.816 -9.247 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.734 1.970 -7.741 1.00 0.00 H new ATOM 1060 N LYS A 72 -7.964 5.021 -5.291 1.00 0.00 N ATOM 1061 CA LYS A 72 -7.180 6.223 -5.061 1.00 0.00 C ATOM 1062 C LYS A 72 -6.162 5.957 -3.950 1.00 0.00 C ATOM 1063 O LYS A 72 -4.993 6.319 -4.076 1.00 0.00 O ATOM 1064 CB LYS A 72 -8.097 7.416 -4.782 1.00 0.00 C ATOM 1065 CG LYS A 72 -7.282 8.662 -4.430 1.00 0.00 C ATOM 1066 CD LYS A 72 -8.197 9.867 -4.200 1.00 0.00 C ATOM 1067 CE LYS A 72 -7.381 11.123 -3.886 1.00 0.00 C ATOM 1068 NZ LYS A 72 -6.906 11.096 -2.485 1.00 0.00 N ATOM 0 H LYS A 72 -8.973 5.167 -5.308 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.616 6.487 -5.955 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.715 7.617 -5.657 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.773 7.176 -3.962 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.691 8.473 -3.534 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.580 8.882 -5.235 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.808 10.038 -5.086 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.880 9.658 -3.377 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.530 11.189 -4.564 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.991 12.011 -4.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.354 11.955 -2.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.723 11.055 -1.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.307 10.259 -2.338 1.00 0.00 H new ATOM 1081 N THR A 73 -6.642 5.327 -2.889 1.00 0.00 N ATOM 1082 CA THR A 73 -5.788 5.008 -1.757 1.00 0.00 C ATOM 1083 C THR A 73 -4.587 4.178 -2.213 1.00 0.00 C ATOM 1084 O THR A 73 -3.463 4.411 -1.770 1.00 0.00 O ATOM 1085 CB THR A 73 -6.645 4.308 -0.701 1.00 0.00 C ATOM 1086 OG1 THR A 73 -7.955 4.827 -0.916 1.00 0.00 O ATOM 1087 CG2 THR A 73 -6.298 4.751 0.722 1.00 0.00 C ATOM 0 H THR A 73 -7.612 5.028 -2.789 1.00 0.00 H new ATOM 0 HA THR A 73 -5.369 5.910 -1.310 1.00 0.00 H new ATOM 0 HB THR A 73 -6.517 3.229 -0.787 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.576 4.424 -0.274 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.935 4.224 1.433 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.253 4.520 0.930 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.458 5.825 0.818 1.00 0.00 H new ATOM 1095 N TRP A 74 -4.864 3.226 -3.092 1.00 0.00 N ATOM 1096 CA TRP A 74 -3.820 2.360 -3.612 1.00 0.00 C ATOM 1097 C TRP A 74 -2.750 3.244 -4.256 1.00 0.00 C ATOM 1098 O TRP A 74 -1.561 3.079 -3.990 1.00 0.00 O ATOM 1099 CB TRP A 74 -4.399 1.323 -4.576 1.00 0.00 C ATOM 1100 CG TRP A 74 -3.376 0.747 -5.558 1.00 0.00 C ATOM 1101 CD1 TRP A 74 -2.666 -0.383 -5.442 1.00 0.00 C ATOM 1102 CD2 TRP A 74 -2.975 1.325 -6.819 1.00 0.00 C ATOM 1103 NE1 TRP A 74 -1.840 -0.576 -6.531 1.00 0.00 N ATOM 1104 CE2 TRP A 74 -2.034 0.495 -7.395 1.00 0.00 C ATOM 1105 CE3 TRP A 74 -3.394 2.508 -7.451 1.00 0.00 C ATOM 1106 CZ2 TRP A 74 -1.433 0.761 -8.631 1.00 0.00 C ATOM 1107 CZ3 TRP A 74 -2.783 2.759 -8.686 1.00 0.00 C ATOM 1108 CH2 TRP A 74 -1.834 1.935 -9.279 1.00 0.00 C ATOM 0 H TRP A 74 -5.797 3.035 -3.457 1.00 0.00 H new ATOM 0 HA TRP A 74 -3.359 1.785 -2.809 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -4.832 0.507 -3.998 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -5.212 1.780 -5.140 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -2.732 -1.058 -4.602 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -1.204 -1.360 -6.675 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -4.129 3.171 -7.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -0.699 0.096 -9.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.070 3.656 -9.215 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -1.408 2.199 -10.236 1.00 0.00 H new ATOM 1119 N GLY A 75 -3.212 4.163 -5.092 1.00 0.00 N ATOM 1120 CA GLY A 75 -2.309 5.073 -5.776 1.00 0.00 C ATOM 1121 C GLY A 75 -1.169 5.510 -4.854 1.00 0.00 C ATOM 1122 O GLY A 75 0.002 5.416 -5.221 1.00 0.00 O ATOM 0 H GLY A 75 -4.199 4.297 -5.311 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.899 4.587 -6.662 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.860 5.949 -6.119 1.00 0.00 H new ATOM 1126 N LEU A 76 -1.550 5.979 -3.675 1.00 0.00 N ATOM 1127 CA LEU A 76 -0.575 6.432 -2.698 1.00 0.00 C ATOM 1128 C LEU A 76 0.256 5.238 -2.223 1.00 0.00 C ATOM 1129 O LEU A 76 1.460 5.363 -2.003 1.00 0.00 O ATOM 1130 CB LEU A 76 -1.265 7.191 -1.563 1.00 0.00 C ATOM 1131 CG LEU A 76 -2.278 8.256 -1.988 1.00 0.00 C ATOM 1132 CD1 LEU A 76 -3.568 8.142 -1.173 1.00 0.00 C ATOM 1133 CD2 LEU A 76 -1.668 9.657 -1.903 1.00 0.00 C ATOM 0 H LEU A 76 -2.522 6.055 -3.374 1.00 0.00 H new ATOM 0 HA LEU A 76 0.116 7.143 -3.151 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.774 6.468 -0.925 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.498 7.670 -0.954 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.540 8.081 -3.031 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.271 8.910 -1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.010 7.158 -1.328 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.343 8.276 -0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.408 10.395 -2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.359 9.858 -0.877 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.801 9.717 -2.561 1.00 0.00 H new ATOM 1145 N VAL A 77 -0.419 4.107 -2.080 1.00 0.00 N ATOM 1146 CA VAL A 77 0.241 2.892 -1.635 1.00 0.00 C ATOM 1147 C VAL A 77 1.159 2.379 -2.747 1.00 0.00 C ATOM 1148 O VAL A 77 2.359 2.209 -2.537 1.00 0.00 O ATOM 1149 CB VAL A 77 -0.800 1.860 -1.196 1.00 0.00 C ATOM 1150 CG1 VAL A 77 -1.143 0.906 -2.342 1.00 0.00 C ATOM 1151 CG2 VAL A 77 -0.323 1.089 0.036 1.00 0.00 C ATOM 0 H VAL A 77 -1.417 4.007 -2.265 1.00 0.00 H new ATOM 0 HA VAL A 77 0.865 3.094 -0.765 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.709 2.396 -0.923 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.885 0.183 -2.004 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.546 1.474 -3.180 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.243 0.380 -2.660 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.082 0.362 0.327 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.607 0.570 -0.197 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.153 1.785 0.858 1.00 0.00 H new ATOM 1161 N LEU A 78 0.560 2.148 -3.905 1.00 0.00 N ATOM 1162 CA LEU A 78 1.308 1.658 -5.050 1.00 0.00 C ATOM 1163 C LEU A 78 2.162 2.793 -5.619 1.00 0.00 C ATOM 1164 O LEU A 78 3.385 2.681 -5.684 1.00 0.00 O ATOM 1165 CB LEU A 78 0.365 1.025 -6.076 1.00 0.00 C ATOM 1166 CG LEU A 78 0.898 -0.212 -6.803 1.00 0.00 C ATOM 1167 CD1 LEU A 78 2.180 0.114 -7.572 1.00 0.00 C ATOM 1168 CD2 LEU A 78 1.093 -1.377 -5.831 1.00 0.00 C ATOM 0 H LEU A 78 -0.435 2.291 -4.075 1.00 0.00 H new ATOM 0 HA LEU A 78 1.991 0.864 -4.747 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.561 0.754 -5.570 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.112 1.779 -6.821 1.00 0.00 H new ATOM 0 HG LEU A 78 0.154 -0.525 -7.536 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.538 -0.782 -8.079 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.975 0.891 -8.309 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.942 0.466 -6.876 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.472 -2.243 -6.373 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.807 -1.091 -5.059 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.139 -1.628 -5.368 1.00 0.00 H new ATOM 1180 N GLY A 79 1.484 3.859 -6.016 1.00 0.00 N ATOM 1181 CA GLY A 79 2.165 5.014 -6.577 1.00 0.00 C ATOM 1182 C GLY A 79 3.507 5.250 -5.881 1.00 0.00 C ATOM 1183 O GLY A 79 4.461 5.712 -6.505 1.00 0.00 O ATOM 0 H GLY A 79 0.469 3.948 -5.960 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.326 4.863 -7.644 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.536 5.898 -6.472 1.00 0.00 H new ATOM 1187 N ALA A 80 3.537 4.923 -4.597 1.00 0.00 N ATOM 1188 CA ALA A 80 4.746 5.094 -3.810 1.00 0.00 C ATOM 1189 C ALA A 80 5.805 4.099 -4.287 1.00 0.00 C ATOM 1190 O ALA A 80 6.944 4.480 -4.557 1.00 0.00 O ATOM 1191 CB ALA A 80 4.416 4.927 -2.325 1.00 0.00 C ATOM 0 H ALA A 80 2.744 4.541 -4.083 1.00 0.00 H new ATOM 0 HA ALA A 80 5.152 6.097 -3.943 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.323 5.055 -1.734 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.681 5.676 -2.029 1.00 0.00 H new ATOM 0 HB3 ALA A 80 4.008 3.931 -2.153 1.00 0.00 H new ATOM 1197 N LEU A 81 5.394 2.842 -4.377 1.00 0.00 N ATOM 1198 CA LEU A 81 6.293 1.790 -4.817 1.00 0.00 C ATOM 1199 C LEU A 81 6.946 2.202 -6.138 1.00 0.00 C ATOM 1200 O LEU A 81 8.150 2.030 -6.320 1.00 0.00 O ATOM 1201 CB LEU A 81 5.557 0.450 -4.887 1.00 0.00 C ATOM 1202 CG LEU A 81 6.438 -0.793 -5.021 1.00 0.00 C ATOM 1203 CD1 LEU A 81 7.429 -0.641 -6.177 1.00 0.00 C ATOM 1204 CD2 LEU A 81 7.142 -1.112 -3.701 1.00 0.00 C ATOM 0 H LEU A 81 4.450 2.529 -4.152 1.00 0.00 H new ATOM 0 HA LEU A 81 7.096 1.649 -4.094 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.949 0.345 -3.989 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.872 0.478 -5.734 1.00 0.00 H new ATOM 0 HG LEU A 81 5.796 -1.642 -5.256 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.043 -1.539 -6.250 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.882 -0.499 -7.109 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.069 0.223 -5.996 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.762 -2.000 -3.825 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.769 -0.269 -3.410 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.397 -1.294 -2.926 1.00 0.00 H new ATOM 1216 N LYS A 82 6.122 2.738 -7.027 1.00 0.00 N ATOM 1217 CA LYS A 82 6.605 3.176 -8.325 1.00 0.00 C ATOM 1218 C LYS A 82 7.469 4.426 -8.148 1.00 0.00 C ATOM 1219 O LYS A 82 8.308 4.730 -8.995 1.00 0.00 O ATOM 1220 CB LYS A 82 5.436 3.369 -9.294 1.00 0.00 C ATOM 1221 CG LYS A 82 4.993 2.032 -9.892 1.00 0.00 C ATOM 1222 CD LYS A 82 4.995 0.930 -8.831 1.00 0.00 C ATOM 1223 CE LYS A 82 4.359 -0.353 -9.372 1.00 0.00 C ATOM 1224 NZ LYS A 82 5.322 -1.091 -10.219 1.00 0.00 N ATOM 0 H LYS A 82 5.123 2.879 -6.874 1.00 0.00 H new ATOM 0 HA LYS A 82 7.239 2.411 -8.774 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.599 3.833 -8.772 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.730 4.049 -10.093 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.994 2.132 -10.316 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.659 1.756 -10.709 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.018 0.727 -8.514 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.449 1.267 -7.950 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.037 -0.984 -8.543 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.469 -0.108 -9.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.875 -1.959 -10.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.609 -0.493 -11.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.160 -1.341 -9.655 1.00 0.00 H new ATOM 1237 N ALA A 83 7.235 5.118 -7.043 1.00 0.00 N ATOM 1238 CA ALA A 83 7.981 6.328 -6.744 1.00 0.00 C ATOM 1239 C ALA A 83 9.418 5.956 -6.371 1.00 0.00 C ATOM 1240 O ALA A 83 10.354 6.691 -6.683 1.00 0.00 O ATOM 1241 CB ALA A 83 7.273 7.104 -5.632 1.00 0.00 C ATOM 0 H ALA A 83 6.538 4.863 -6.343 1.00 0.00 H new ATOM 0 HA ALA A 83 8.024 6.978 -7.618 1.00 0.00 H new ATOM 0 HB1 ALA A 83 7.833 8.012 -5.408 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.267 7.369 -5.957 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.213 6.485 -4.737 1.00 0.00 H new ATOM 1247 N ALA A 84 9.548 4.816 -5.709 1.00 0.00 N ATOM 1248 CA ALA A 84 10.855 4.338 -5.291 1.00 0.00 C ATOM 1249 C ALA A 84 11.705 4.044 -6.528 1.00 0.00 C ATOM 1250 O ALA A 84 12.854 4.477 -6.613 1.00 0.00 O ATOM 1251 CB ALA A 84 10.686 3.111 -4.393 1.00 0.00 C ATOM 0 H ALA A 84 8.770 4.209 -5.452 1.00 0.00 H new ATOM 0 HA ALA A 84 11.374 5.099 -4.708 1.00 0.00 H new ATOM 0 HB1 ALA A 84 11.666 2.752 -4.079 1.00 0.00 H new ATOM 0 HB2 ALA A 84 10.100 3.381 -3.514 1.00 0.00 H new ATOM 0 HB3 ALA A 84 10.171 2.324 -4.945 1.00 0.00 H new ATOM 1257 N ARG A 85 11.109 3.309 -7.455 1.00 0.00 N ATOM 1258 CA ARG A 85 11.798 2.952 -8.684 1.00 0.00 C ATOM 1259 C ARG A 85 12.033 4.197 -9.542 1.00 0.00 C ATOM 1260 O ARG A 85 12.934 4.216 -10.379 1.00 0.00 O ATOM 1261 CB ARG A 85 10.993 1.930 -9.489 1.00 0.00 C ATOM 1262 CG ARG A 85 11.585 0.527 -9.342 1.00 0.00 C ATOM 1263 CD ARG A 85 12.802 0.347 -10.252 1.00 0.00 C ATOM 1264 NE ARG A 85 12.405 0.520 -11.668 1.00 0.00 N ATOM 1265 CZ ARG A 85 13.279 0.596 -12.694 1.00 0.00 C ATOM 1266 NH1 ARG A 85 14.607 0.514 -12.471 1.00 0.00 N ATOM 1267 NH2 ARG A 85 12.814 0.751 -13.920 1.00 0.00 N ATOM 0 H ARG A 85 10.157 2.951 -7.380 1.00 0.00 H new ATOM 0 HA ARG A 85 12.756 2.509 -8.411 1.00 0.00 H new ATOM 0 HB2 ARG A 85 9.957 1.929 -9.150 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.983 2.216 -10.541 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.874 0.357 -8.305 1.00 0.00 H new ATOM 0 HG3 ARG A 85 10.829 -0.218 -9.588 1.00 0.00 H new ATOM 0 HD2 ARG A 85 13.572 1.072 -9.990 1.00 0.00 H new ATOM 0 HD3 ARG A 85 13.233 -0.643 -10.105 1.00 0.00 H new ATOM 0 HE ARG A 85 11.410 0.586 -11.881 1.00 0.00 H new ATOM 0 HH11 ARG A 85 14.958 0.394 -11.521 1.00 0.00 H new ATOM 0 HH12 ARG A 85 15.260 0.572 -13.252 1.00 0.00 H new ATOM 0 HH21 ARG A 85 11.808 0.811 -14.080 1.00 0.00 H new ATOM 0 HH22 ARG A 85 13.460 0.810 -14.707 1.00 0.00 H new ATOM 1280 N GLU A 86 11.208 5.205 -9.304 1.00 0.00 N ATOM 1281 CA GLU A 86 11.315 6.451 -10.044 1.00 0.00 C ATOM 1282 C GLU A 86 12.505 7.269 -9.538 1.00 0.00 C ATOM 1283 O GLU A 86 13.144 7.983 -10.308 1.00 0.00 O ATOM 1284 CB GLU A 86 10.017 7.256 -9.953 1.00 0.00 C ATOM 1285 CG GLU A 86 10.138 8.578 -10.713 1.00 0.00 C ATOM 1286 CD GLU A 86 10.508 9.723 -9.767 1.00 0.00 C ATOM 1287 OE1 GLU A 86 9.849 9.911 -8.734 1.00 0.00 O ATOM 1288 OE2 GLU A 86 11.522 10.429 -10.137 1.00 0.00 O ATOM 0 H GLU A 86 10.462 5.185 -8.609 1.00 0.00 H new ATOM 0 HA GLU A 86 11.483 6.214 -11.094 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.193 6.671 -10.362 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.780 7.454 -8.908 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.895 8.486 -11.492 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.195 8.803 -11.211 1.00 0.00 H new ATOM 1296 N GLU A 87 12.765 7.137 -8.245 1.00 0.00 N ATOM 1297 CA GLU A 87 13.867 7.855 -7.627 1.00 0.00 C ATOM 1298 C GLU A 87 14.057 7.393 -6.181 1.00 0.00 C ATOM 1299 O GLU A 87 13.087 7.065 -5.498 1.00 0.00 O ATOM 1300 CB GLU A 87 13.643 9.367 -7.695 1.00 0.00 C ATOM 1301 CG GLU A 87 14.762 10.120 -6.974 1.00 0.00 C ATOM 1302 CD GLU A 87 14.449 11.615 -6.887 1.00 0.00 C ATOM 1303 OE1 GLU A 87 14.554 12.330 -7.894 1.00 0.00 O ATOM 1304 OE2 GLU A 87 14.084 12.029 -5.721 1.00 0.00 O ATOM 0 H GLU A 87 12.232 6.544 -7.609 1.00 0.00 H new ATOM 0 HA GLU A 87 14.778 7.631 -8.182 1.00 0.00 H new ATOM 0 HB2 GLU A 87 13.598 9.685 -8.737 1.00 0.00 H new ATOM 0 HB3 GLU A 87 12.683 9.617 -7.244 1.00 0.00 H new ATOM 0 HG2 GLU A 87 14.892 9.713 -5.971 1.00 0.00 H new ATOM 0 HG3 GLU A 87 15.704 9.972 -7.502 1.00 0.00 H new TER 1312 GLU A 87