USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 521 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 8 MET CE :methyl 177:sc= -2.33 (180deg=-2.39) USER MOD Single : A 9 LYS NZ :NH3+ 175:sc= 1.28 (180deg=1.18) USER MOD Single : A 11 THR OG1 : rot 27:sc= 0.144 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -160:sc= 1.28 (180deg=0.857) USER MOD Single : A 23 SER OG : rot -109:sc= 0.0433 USER MOD Single : A 30 LYS NZ :NH3+ 170:sc= 1.22 (180deg=1.08) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 165:sc= 2.43 (180deg=2.12) USER MOD Single : A 48 ASN : amide:sc= -0.114 X(o=-0.11,f=-0.44) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.0064) USER MOD ----------------------------------------------------------------- ATOM 36 N ILE A 6 11.850 15.041 2.798 1.00 0.00 N ATOM 37 CA ILE A 6 11.129 14.808 1.557 1.00 0.00 C ATOM 38 C ILE A 6 11.257 13.346 1.146 1.00 0.00 C ATOM 39 O ILE A 6 12.367 12.838 0.984 1.00 0.00 O ATOM 40 CB ILE A 6 11.659 15.712 0.424 1.00 0.00 C ATOM 41 CG1 ILE A 6 11.609 17.179 0.856 1.00 0.00 C ATOM 42 CG2 ILE A 6 10.849 15.498 -0.849 1.00 0.00 C ATOM 43 CD1 ILE A 6 12.188 18.137 -0.163 1.00 0.00 C ATOM 0 HA ILE A 6 10.080 15.050 1.728 1.00 0.00 H new ATOM 0 HB ILE A 6 12.696 15.446 0.217 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.573 17.455 1.052 1.00 0.00 H new ATOM 0 HG13 ILE A 6 12.152 17.290 1.795 1.00 0.00 H new ATOM 0 HG21 ILE A 6 11.235 16.143 -1.639 1.00 0.00 H new ATOM 0 HG22 ILE A 6 10.928 14.456 -1.160 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.804 15.742 -0.660 1.00 0.00 H new ATOM 0 HD11 ILE A 6 12.117 19.157 0.215 1.00 0.00 H new ATOM 0 HD12 ILE A 6 13.234 17.889 -0.342 1.00 0.00 H new ATOM 0 HD13 ILE A 6 11.631 18.056 -1.096 1.00 0.00 H new ATOM 55 N GLY A 7 10.123 12.676 0.997 1.00 0.00 N ATOM 56 CA GLY A 7 10.131 11.274 0.633 1.00 0.00 C ATOM 57 C GLY A 7 9.458 10.427 1.685 1.00 0.00 C ATOM 58 O GLY A 7 8.970 10.952 2.689 1.00 0.00 O ATOM 0 H GLY A 7 9.195 13.080 1.122 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.623 11.142 -0.322 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.159 10.938 0.496 1.00 0.00 H new ATOM 62 N MET A 8 9.415 9.125 1.462 1.00 0.00 N ATOM 63 CA MET A 8 8.804 8.219 2.420 1.00 0.00 C ATOM 64 C MET A 8 9.364 6.813 2.270 1.00 0.00 C ATOM 65 O MET A 8 9.573 6.326 1.153 1.00 0.00 O ATOM 66 CB MET A 8 7.282 8.188 2.248 1.00 0.00 C ATOM 67 CG MET A 8 6.830 7.636 0.908 1.00 0.00 C ATOM 68 SD MET A 8 5.037 7.600 0.730 1.00 0.00 S ATOM 69 CE MET A 8 4.882 6.661 -0.782 1.00 0.00 C ATOM 0 H MET A 8 9.794 8.673 0.630 1.00 0.00 H new ATOM 0 HA MET A 8 9.039 8.588 3.418 1.00 0.00 H new ATOM 0 HB2 MET A 8 6.848 7.584 3.045 1.00 0.00 H new ATOM 0 HB3 MET A 8 6.891 9.199 2.365 1.00 0.00 H new ATOM 0 HG2 MET A 8 7.257 8.242 0.109 1.00 0.00 H new ATOM 0 HG3 MET A 8 7.222 6.626 0.786 1.00 0.00 H new ATOM 0 HE1 MET A 8 3.827 6.502 -1.005 1.00 0.00 H new ATOM 0 HE2 MET A 8 5.347 7.210 -1.601 1.00 0.00 H new ATOM 0 HE3 MET A 8 5.377 5.697 -0.664 1.00 0.00 H new ATOM 79 N LYS A 9 9.628 6.173 3.395 1.00 0.00 N ATOM 80 CA LYS A 9 10.052 4.789 3.394 1.00 0.00 C ATOM 81 C LYS A 9 9.104 3.967 4.259 1.00 0.00 C ATOM 82 O LYS A 9 9.013 4.170 5.470 1.00 0.00 O ATOM 83 CB LYS A 9 11.493 4.685 3.893 1.00 0.00 C ATOM 84 CG LYS A 9 12.239 3.482 3.352 1.00 0.00 C ATOM 85 CD LYS A 9 13.734 3.741 3.315 1.00 0.00 C ATOM 86 CE LYS A 9 14.470 2.661 2.545 1.00 0.00 C ATOM 87 NZ LYS A 9 15.852 3.079 2.199 1.00 0.00 N ATOM 0 H LYS A 9 9.555 6.593 4.322 1.00 0.00 H new ATOM 0 HA LYS A 9 10.020 4.393 2.379 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.031 5.591 3.614 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.489 4.639 4.982 1.00 0.00 H new ATOM 0 HG2 LYS A 9 12.032 2.611 3.974 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.882 3.249 2.349 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.924 4.710 2.855 1.00 0.00 H new ATOM 0 HD3 LYS A 9 14.120 3.790 4.333 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.504 1.749 3.140 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.922 2.426 1.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 16.352 2.286 1.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 15.817 3.884 1.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 16.357 3.360 3.064 1.00 0.00 H new ATOM 101 N PHE A 10 8.384 3.058 3.625 1.00 0.00 N ATOM 102 CA PHE A 10 7.344 2.292 4.299 1.00 0.00 C ATOM 103 C PHE A 10 7.550 0.804 4.065 1.00 0.00 C ATOM 104 O PHE A 10 8.349 0.408 3.218 1.00 0.00 O ATOM 105 CB PHE A 10 5.960 2.722 3.797 1.00 0.00 C ATOM 106 CG PHE A 10 5.748 2.517 2.319 1.00 0.00 C ATOM 107 CD1 PHE A 10 6.199 3.453 1.400 1.00 0.00 C ATOM 108 CD2 PHE A 10 5.092 1.390 1.850 1.00 0.00 C ATOM 109 CE1 PHE A 10 6.001 3.268 0.046 1.00 0.00 C ATOM 110 CE2 PHE A 10 4.891 1.200 0.497 1.00 0.00 C ATOM 111 CZ PHE A 10 5.346 2.142 -0.407 1.00 0.00 C ATOM 0 H PHE A 10 8.500 2.830 2.638 1.00 0.00 H new ATOM 0 HA PHE A 10 7.404 2.488 5.370 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.199 2.165 4.343 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.812 3.776 4.031 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.712 4.338 1.748 1.00 0.00 H new ATOM 0 HD2 PHE A 10 4.733 0.651 2.551 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.359 4.005 -0.658 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.379 0.317 0.145 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.189 1.996 -1.466 1.00 0.00 H new ATOM 121 N THR A 11 6.835 -0.020 4.809 1.00 0.00 N ATOM 122 CA THR A 11 6.942 -1.455 4.644 1.00 0.00 C ATOM 123 C THR A 11 5.620 -2.031 4.152 1.00 0.00 C ATOM 124 O THR A 11 4.547 -1.614 4.588 1.00 0.00 O ATOM 125 CB THR A 11 7.384 -2.154 5.953 1.00 0.00 C ATOM 126 OG1 THR A 11 7.612 -3.548 5.716 1.00 0.00 O ATOM 127 CG2 THR A 11 6.350 -1.988 7.056 1.00 0.00 C ATOM 0 H THR A 11 6.178 0.279 5.529 1.00 0.00 H new ATOM 0 HA THR A 11 7.712 -1.644 3.897 1.00 0.00 H new ATOM 0 HB THR A 11 8.309 -1.680 6.281 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.867 -3.683 4.779 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.696 -2.492 7.958 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.208 -0.928 7.265 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.404 -2.425 6.737 1.00 0.00 H new ATOM 135 N VAL A 12 5.703 -2.963 3.218 1.00 0.00 N ATOM 136 CA VAL A 12 4.522 -3.594 2.659 1.00 0.00 C ATOM 137 C VAL A 12 4.658 -5.110 2.724 1.00 0.00 C ATOM 138 O VAL A 12 5.728 -5.657 2.458 1.00 0.00 O ATOM 139 CB VAL A 12 4.274 -3.141 1.199 1.00 0.00 C ATOM 140 CG1 VAL A 12 5.462 -3.474 0.310 1.00 0.00 C ATOM 141 CG2 VAL A 12 3.001 -3.762 0.643 1.00 0.00 C ATOM 0 H VAL A 12 6.583 -3.301 2.829 1.00 0.00 H new ATOM 0 HA VAL A 12 3.663 -3.284 3.254 1.00 0.00 H new ATOM 0 HB VAL A 12 4.151 -2.058 1.208 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.258 -3.144 -0.709 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.351 -2.966 0.685 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.630 -4.551 0.316 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.851 -3.427 -0.383 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.088 -4.848 0.661 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.151 -3.456 1.252 1.00 0.00 H new ATOM 151 N ILE A 13 3.588 -5.780 3.114 1.00 0.00 N ATOM 152 CA ILE A 13 3.583 -7.231 3.169 1.00 0.00 C ATOM 153 C ILE A 13 2.720 -7.789 2.039 1.00 0.00 C ATOM 154 O ILE A 13 1.561 -7.409 1.872 1.00 0.00 O ATOM 155 CB ILE A 13 3.121 -7.742 4.568 1.00 0.00 C ATOM 156 CG1 ILE A 13 3.262 -9.272 4.703 1.00 0.00 C ATOM 157 CG2 ILE A 13 1.696 -7.302 4.879 1.00 0.00 C ATOM 158 CD1 ILE A 13 2.113 -10.076 4.129 1.00 0.00 C ATOM 0 H ILE A 13 2.711 -5.342 3.397 1.00 0.00 H new ATOM 0 HA ILE A 13 4.601 -7.594 3.027 1.00 0.00 H new ATOM 0 HB ILE A 13 3.785 -7.287 5.302 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.184 -9.581 4.210 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.367 -9.520 5.759 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.406 -7.675 5.861 1.00 0.00 H new ATOM 0 HG22 ILE A 13 1.642 -6.213 4.874 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.019 -7.702 4.124 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.305 -11.139 4.273 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.188 -9.803 4.637 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.018 -9.865 3.064 1.00 0.00 H new ATOM 170 N THR A 14 3.322 -8.659 1.239 1.00 0.00 N ATOM 171 CA THR A 14 2.645 -9.267 0.103 1.00 0.00 C ATOM 172 C THR A 14 2.809 -10.787 0.141 1.00 0.00 C ATOM 173 O THR A 14 3.163 -11.351 1.179 1.00 0.00 O ATOM 174 CB THR A 14 3.204 -8.715 -1.228 1.00 0.00 C ATOM 175 OG1 THR A 14 4.637 -8.804 -1.233 1.00 0.00 O ATOM 176 CG2 THR A 14 2.784 -7.268 -1.442 1.00 0.00 C ATOM 0 H THR A 14 4.289 -8.962 1.359 1.00 0.00 H new ATOM 0 HA THR A 14 1.586 -9.019 0.166 1.00 0.00 H new ATOM 0 HB THR A 14 2.796 -9.317 -2.040 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.984 -8.454 -2.080 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.192 -6.907 -2.386 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.696 -7.205 -1.469 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.163 -6.654 -0.625 1.00 0.00 H new ATOM 184 N ASP A 15 2.556 -11.446 -0.986 1.00 0.00 N ATOM 185 CA ASP A 15 2.699 -12.898 -1.086 1.00 0.00 C ATOM 186 C ASP A 15 4.166 -13.304 -0.971 1.00 0.00 C ATOM 187 O ASP A 15 4.485 -14.430 -0.585 1.00 0.00 O ATOM 188 CB ASP A 15 2.124 -13.400 -2.415 1.00 0.00 C ATOM 189 CG ASP A 15 2.865 -12.847 -3.617 1.00 0.00 C ATOM 190 OD1 ASP A 15 2.666 -11.659 -3.944 1.00 0.00 O ATOM 191 OD2 ASP A 15 3.653 -13.594 -4.237 1.00 0.00 O ATOM 0 H ASP A 15 2.249 -10.996 -1.848 1.00 0.00 H new ATOM 0 HA ASP A 15 2.145 -13.352 -0.264 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.166 -14.489 -2.436 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.073 -13.120 -2.481 1.00 0.00 H new ATOM 196 N ASP A 16 5.053 -12.376 -1.305 1.00 0.00 N ATOM 197 CA ASP A 16 6.492 -12.615 -1.221 1.00 0.00 C ATOM 198 C ASP A 16 6.988 -12.392 0.205 1.00 0.00 C ATOM 199 O ASP A 16 8.105 -12.766 0.561 1.00 0.00 O ATOM 200 CB ASP A 16 7.237 -11.691 -2.194 1.00 0.00 C ATOM 201 CG ASP A 16 8.746 -11.763 -2.039 1.00 0.00 C ATOM 202 OD1 ASP A 16 9.358 -12.722 -2.556 1.00 0.00 O ATOM 203 OD2 ASP A 16 9.326 -10.859 -1.396 1.00 0.00 O ATOM 0 H ASP A 16 4.802 -11.445 -1.639 1.00 0.00 H new ATOM 0 HA ASP A 16 6.690 -13.651 -1.497 1.00 0.00 H new ATOM 0 HB2 ASP A 16 6.969 -11.956 -3.217 1.00 0.00 H new ATOM 0 HB3 ASP A 16 6.909 -10.664 -2.035 1.00 0.00 H new ATOM 208 N GLY A 17 6.133 -11.813 1.028 1.00 0.00 N ATOM 209 CA GLY A 17 6.518 -11.487 2.381 1.00 0.00 C ATOM 210 C GLY A 17 6.502 -9.993 2.615 1.00 0.00 C ATOM 211 O GLY A 17 5.987 -9.240 1.786 1.00 0.00 O ATOM 0 H GLY A 17 5.175 -11.562 0.782 1.00 0.00 H new ATOM 0 HA2 GLY A 17 5.839 -11.974 3.081 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.516 -11.877 2.581 1.00 0.00 H new ATOM 215 N LYS A 18 7.071 -9.559 3.723 1.00 0.00 N ATOM 216 CA LYS A 18 7.068 -8.148 4.074 1.00 0.00 C ATOM 217 C LYS A 18 8.398 -7.508 3.694 1.00 0.00 C ATOM 218 O LYS A 18 9.460 -8.006 4.067 1.00 0.00 O ATOM 219 CB LYS A 18 6.796 -7.988 5.567 1.00 0.00 C ATOM 220 CG LYS A 18 6.414 -6.576 5.976 1.00 0.00 C ATOM 221 CD LYS A 18 6.084 -6.513 7.456 1.00 0.00 C ATOM 222 CE LYS A 18 7.305 -6.810 8.309 1.00 0.00 C ATOM 223 NZ LYS A 18 6.947 -7.029 9.733 1.00 0.00 N ATOM 0 H LYS A 18 7.542 -10.162 4.397 1.00 0.00 H new ATOM 0 HA LYS A 18 6.277 -7.642 3.520 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.995 -8.668 5.855 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.684 -8.289 6.122 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.234 -5.894 5.753 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.555 -6.244 5.393 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.698 -5.524 7.702 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.295 -7.229 7.685 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.811 -7.694 7.922 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.009 -5.981 8.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.808 -7.229 10.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.487 -6.176 10.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.295 -7.836 9.807 1.00 0.00 H new ATOM 237 N LYS A 19 8.338 -6.411 2.956 1.00 0.00 N ATOM 238 CA LYS A 19 9.539 -5.780 2.432 1.00 0.00 C ATOM 239 C LYS A 19 9.453 -4.259 2.580 1.00 0.00 C ATOM 240 O LYS A 19 8.373 -3.715 2.826 1.00 0.00 O ATOM 241 CB LYS A 19 9.703 -6.176 0.962 1.00 0.00 C ATOM 242 CG LYS A 19 11.108 -5.995 0.411 1.00 0.00 C ATOM 243 CD LYS A 19 11.258 -6.683 -0.936 1.00 0.00 C ATOM 244 CE LYS A 19 10.954 -8.170 -0.825 1.00 0.00 C ATOM 245 NZ LYS A 19 10.976 -8.852 -2.145 1.00 0.00 N ATOM 0 H LYS A 19 7.469 -5.939 2.706 1.00 0.00 H new ATOM 0 HA LYS A 19 10.408 -6.118 2.996 1.00 0.00 H new ATOM 0 HB2 LYS A 19 9.413 -7.220 0.846 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.012 -5.585 0.361 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.328 -4.932 0.307 1.00 0.00 H new ATOM 0 HG3 LYS A 19 11.834 -6.403 1.115 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.585 -6.224 -1.660 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.272 -6.542 -1.309 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.683 -8.639 -0.164 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.975 -8.305 -0.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.450 -9.747 -2.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.534 -8.239 -2.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.960 -9.048 -2.418 1.00 0.00 H new ATOM 259 N ILE A 20 10.586 -3.580 2.448 1.00 0.00 N ATOM 260 CA ILE A 20 10.635 -2.129 2.574 1.00 0.00 C ATOM 261 C ILE A 20 10.620 -1.459 1.201 1.00 0.00 C ATOM 262 O ILE A 20 11.442 -1.773 0.339 1.00 0.00 O ATOM 263 CB ILE A 20 11.902 -1.680 3.341 1.00 0.00 C ATOM 264 CG1 ILE A 20 11.875 -2.193 4.785 1.00 0.00 C ATOM 265 CG2 ILE A 20 12.041 -0.162 3.320 1.00 0.00 C ATOM 266 CD1 ILE A 20 10.774 -1.585 5.627 1.00 0.00 C ATOM 0 H ILE A 20 11.488 -4.014 2.253 1.00 0.00 H new ATOM 0 HA ILE A 20 9.750 -1.824 3.133 1.00 0.00 H new ATOM 0 HB ILE A 20 12.768 -2.111 2.838 1.00 0.00 H new ATOM 0 HG12 ILE A 20 11.755 -3.276 4.774 1.00 0.00 H new ATOM 0 HG13 ILE A 20 12.836 -1.983 5.254 1.00 0.00 H new ATOM 0 HG21 ILE A 20 12.939 0.129 3.865 1.00 0.00 H new ATOM 0 HG22 ILE A 20 12.116 0.182 2.289 1.00 0.00 H new ATOM 0 HG23 ILE A 20 11.168 0.290 3.791 1.00 0.00 H new ATOM 0 HD11 ILE A 20 10.818 -1.996 6.636 1.00 0.00 H new ATOM 0 HD12 ILE A 20 10.904 -0.504 5.670 1.00 0.00 H new ATOM 0 HD13 ILE A 20 9.806 -1.817 5.183 1.00 0.00 H new ATOM 278 N LEU A 21 9.687 -0.537 1.007 1.00 0.00 N ATOM 279 CA LEU A 21 9.609 0.232 -0.228 1.00 0.00 C ATOM 280 C LEU A 21 9.966 1.687 0.036 1.00 0.00 C ATOM 281 O LEU A 21 9.651 2.233 1.095 1.00 0.00 O ATOM 282 CB LEU A 21 8.216 0.138 -0.855 1.00 0.00 C ATOM 283 CG LEU A 21 8.065 -0.907 -1.968 1.00 0.00 C ATOM 284 CD1 LEU A 21 8.315 -2.314 -1.444 1.00 0.00 C ATOM 285 CD2 LEU A 21 6.683 -0.806 -2.599 1.00 0.00 C ATOM 0 H LEU A 21 8.970 -0.302 1.693 1.00 0.00 H new ATOM 0 HA LEU A 21 10.325 -0.191 -0.932 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.496 -0.087 -0.068 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.951 1.115 -1.259 1.00 0.00 H new ATOM 0 HG LEU A 21 8.816 -0.701 -2.731 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.200 -3.031 -2.257 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.327 -2.379 -1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.597 -2.542 -0.656 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.588 -1.552 -3.388 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.922 -0.982 -1.839 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.549 0.189 -3.023 1.00 0.00 H new ATOM 297 N GLU A 22 10.628 2.306 -0.927 1.00 0.00 N ATOM 298 CA GLU A 22 11.071 3.682 -0.790 1.00 0.00 C ATOM 299 C GLU A 22 10.593 4.508 -1.978 1.00 0.00 C ATOM 300 O GLU A 22 10.692 4.068 -3.124 1.00 0.00 O ATOM 301 CB GLU A 22 12.601 3.724 -0.703 1.00 0.00 C ATOM 302 CG GLU A 22 13.178 5.121 -0.528 1.00 0.00 C ATOM 303 CD GLU A 22 14.694 5.128 -0.547 1.00 0.00 C ATOM 304 OE1 GLU A 22 15.280 5.157 -1.652 1.00 0.00 O ATOM 305 OE2 GLU A 22 15.309 5.103 0.539 1.00 0.00 O ATOM 0 H GLU A 22 10.872 1.873 -1.818 1.00 0.00 H new ATOM 0 HA GLU A 22 10.648 4.104 0.122 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.923 3.103 0.133 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.017 3.282 -1.608 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.805 5.767 -1.322 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.827 5.540 0.415 1.00 0.00 H new ATOM 312 N SER A 23 10.069 5.692 -1.705 1.00 0.00 N ATOM 313 CA SER A 23 9.638 6.594 -2.759 1.00 0.00 C ATOM 314 C SER A 23 10.142 8.001 -2.466 1.00 0.00 C ATOM 315 O SER A 23 10.200 8.418 -1.305 1.00 0.00 O ATOM 316 CB SER A 23 8.112 6.580 -2.893 1.00 0.00 C ATOM 317 OG SER A 23 7.685 7.331 -4.021 1.00 0.00 O ATOM 0 H SER A 23 9.932 6.051 -0.760 1.00 0.00 H new ATOM 0 HA SER A 23 10.059 6.259 -3.707 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.762 5.552 -2.985 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.662 6.990 -1.989 1.00 0.00 H new ATOM 0 HG SER A 23 7.252 8.157 -3.719 1.00 0.00 H new ATOM 323 N GLY A 24 10.510 8.723 -3.518 1.00 0.00 N ATOM 324 CA GLY A 24 11.079 10.050 -3.359 1.00 0.00 C ATOM 325 C GLY A 24 10.070 11.082 -2.896 1.00 0.00 C ATOM 326 O GLY A 24 10.449 12.146 -2.402 1.00 0.00 O ATOM 0 H GLY A 24 10.424 8.411 -4.485 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.897 10.004 -2.640 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.507 10.371 -4.309 1.00 0.00 H new ATOM 330 N ALA A 25 8.792 10.777 -3.056 1.00 0.00 N ATOM 331 CA ALA A 25 7.731 11.682 -2.641 1.00 0.00 C ATOM 332 C ALA A 25 6.596 10.903 -1.988 1.00 0.00 C ATOM 333 O ALA A 25 6.391 9.731 -2.301 1.00 0.00 O ATOM 334 CB ALA A 25 7.218 12.473 -3.836 1.00 0.00 C ATOM 0 H ALA A 25 8.463 9.906 -3.472 1.00 0.00 H new ATOM 0 HA ALA A 25 8.133 12.382 -1.909 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.424 13.147 -3.513 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.034 13.054 -4.266 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.827 11.786 -4.587 1.00 0.00 H new ATOM 340 N PRO A 26 5.858 11.528 -1.057 1.00 0.00 N ATOM 341 CA PRO A 26 4.672 10.915 -0.454 1.00 0.00 C ATOM 342 C PRO A 26 3.581 10.681 -1.495 1.00 0.00 C ATOM 343 O PRO A 26 3.096 11.619 -2.128 1.00 0.00 O ATOM 344 CB PRO A 26 4.210 11.941 0.586 1.00 0.00 C ATOM 345 CG PRO A 26 5.384 12.833 0.801 1.00 0.00 C ATOM 346 CD PRO A 26 6.121 12.864 -0.506 1.00 0.00 C ATOM 0 HA PRO A 26 4.888 9.939 -0.020 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.348 12.504 0.228 1.00 0.00 H new ATOM 0 HB3 PRO A 26 3.910 11.454 1.514 1.00 0.00 H new ATOM 0 HG2 PRO A 26 5.066 13.834 1.094 1.00 0.00 H new ATOM 0 HG3 PRO A 26 6.021 12.454 1.600 1.00 0.00 H new ATOM 0 HD2 PRO A 26 5.750 13.652 -1.161 1.00 0.00 H new ATOM 0 HD3 PRO A 26 7.187 13.041 -0.365 1.00 0.00 H new ATOM 354 N ARG A 27 3.205 9.426 -1.673 1.00 0.00 N ATOM 355 CA ARG A 27 2.238 9.058 -2.695 1.00 0.00 C ATOM 356 C ARG A 27 0.987 8.477 -2.050 1.00 0.00 C ATOM 357 O ARG A 27 1.030 8.000 -0.919 1.00 0.00 O ATOM 358 CB ARG A 27 2.835 8.018 -3.653 1.00 0.00 C ATOM 359 CG ARG A 27 4.206 8.379 -4.213 1.00 0.00 C ATOM 360 CD ARG A 27 4.168 9.609 -5.110 1.00 0.00 C ATOM 361 NE ARG A 27 3.307 9.420 -6.282 1.00 0.00 N ATOM 362 CZ ARG A 27 3.697 8.852 -7.428 1.00 0.00 C ATOM 363 NH1 ARG A 27 4.927 8.363 -7.565 1.00 0.00 N ATOM 364 NH2 ARG A 27 2.838 8.763 -8.436 1.00 0.00 N ATOM 0 H ARG A 27 3.555 8.642 -1.122 1.00 0.00 H new ATOM 0 HA ARG A 27 1.979 9.957 -3.255 1.00 0.00 H new ATOM 0 HB2 ARG A 27 2.911 7.064 -3.130 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.145 7.872 -4.484 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.896 8.557 -3.388 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.597 7.533 -4.779 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.812 10.464 -4.535 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.179 9.846 -5.440 1.00 0.00 H new ATOM 0 HE ARG A 27 2.342 9.745 -6.218 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.587 8.419 -6.789 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.210 7.933 -8.446 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.890 9.126 -8.332 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.125 8.332 -9.314 1.00 0.00 H new ATOM 378 N ARG A 28 -0.122 8.522 -2.768 1.00 0.00 N ATOM 379 CA ARG A 28 -1.341 7.853 -2.342 1.00 0.00 C ATOM 380 C ARG A 28 -1.285 6.380 -2.719 1.00 0.00 C ATOM 381 O ARG A 28 -0.425 5.966 -3.499 1.00 0.00 O ATOM 382 CB ARG A 28 -2.564 8.484 -3.015 1.00 0.00 C ATOM 383 CG ARG A 28 -3.219 9.608 -2.236 1.00 0.00 C ATOM 384 CD ARG A 28 -4.321 10.253 -3.062 1.00 0.00 C ATOM 385 NE ARG A 28 -5.277 10.991 -2.246 1.00 0.00 N ATOM 386 CZ ARG A 28 -5.695 12.225 -2.515 1.00 0.00 C ATOM 387 NH1 ARG A 28 -5.163 12.913 -3.517 1.00 0.00 N ATOM 388 NH2 ARG A 28 -6.639 12.774 -1.771 1.00 0.00 N ATOM 0 H ARG A 28 -0.204 9.018 -3.655 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.426 7.959 -1.260 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.265 8.866 -3.991 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.305 7.704 -3.190 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.633 9.221 -1.305 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.473 10.355 -1.967 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.874 10.929 -3.792 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.848 9.481 -3.623 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.650 10.532 -1.415 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.428 12.496 -4.088 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.489 13.859 -3.716 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.044 12.252 -0.994 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.962 13.720 -1.974 1.00 0.00 H new ATOM 402 N ILE A 29 -2.200 5.591 -2.173 1.00 0.00 N ATOM 403 CA ILE A 29 -2.398 4.229 -2.650 1.00 0.00 C ATOM 404 C ILE A 29 -2.816 4.291 -4.117 1.00 0.00 C ATOM 405 O ILE A 29 -2.427 3.457 -4.938 1.00 0.00 O ATOM 406 CB ILE A 29 -3.484 3.491 -1.823 1.00 0.00 C ATOM 407 CG1 ILE A 29 -3.092 3.427 -0.342 1.00 0.00 C ATOM 408 CG2 ILE A 29 -3.718 2.090 -2.364 1.00 0.00 C ATOM 409 CD1 ILE A 29 -1.814 2.658 -0.079 1.00 0.00 C ATOM 0 H ILE A 29 -2.813 5.867 -1.406 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.467 3.673 -2.538 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.412 4.056 -1.912 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.978 4.442 0.038 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.904 2.966 0.219 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.483 1.593 -1.768 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.048 2.151 -3.401 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.790 1.520 -2.312 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.603 2.657 0.990 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.929 1.631 -0.427 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.989 3.131 -0.611 1.00 0.00 H new ATOM 421 N LYS A 30 -3.585 5.331 -4.432 1.00 0.00 N ATOM 422 CA LYS A 30 -4.036 5.605 -5.789 1.00 0.00 C ATOM 423 C LYS A 30 -2.848 5.849 -6.717 1.00 0.00 C ATOM 424 O LYS A 30 -2.887 5.494 -7.893 1.00 0.00 O ATOM 425 CB LYS A 30 -4.954 6.828 -5.780 1.00 0.00 C ATOM 426 CG LYS A 30 -5.761 7.003 -7.052 1.00 0.00 C ATOM 427 CD LYS A 30 -6.558 5.747 -7.346 1.00 0.00 C ATOM 428 CE LYS A 30 -7.687 5.997 -8.322 1.00 0.00 C ATOM 429 NZ LYS A 30 -8.462 4.757 -8.573 1.00 0.00 N ATOM 0 H LYS A 30 -3.913 6.010 -3.746 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.583 4.739 -6.160 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.639 6.749 -4.936 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -4.351 7.721 -5.619 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.435 7.854 -6.949 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.095 7.223 -7.886 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.893 4.984 -7.751 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.966 5.352 -6.415 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.348 6.769 -7.928 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.283 6.373 -9.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.324 4.988 -9.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.883 4.091 -9.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.723 4.321 -7.666 1.00 0.00 H new ATOM 443 N ASP A 31 -1.794 6.453 -6.181 1.00 0.00 N ATOM 444 CA ASP A 31 -0.582 6.694 -6.955 1.00 0.00 C ATOM 445 C ASP A 31 0.078 5.380 -7.322 1.00 0.00 C ATOM 446 O ASP A 31 0.247 5.071 -8.494 1.00 0.00 O ATOM 447 CB ASP A 31 0.422 7.545 -6.178 1.00 0.00 C ATOM 448 CG ASP A 31 0.089 9.020 -6.181 1.00 0.00 C ATOM 449 OD1 ASP A 31 0.506 9.721 -7.125 1.00 0.00 O ATOM 450 OD2 ASP A 31 -0.552 9.487 -5.224 1.00 0.00 O ATOM 0 H ASP A 31 -1.754 6.784 -5.217 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.877 7.232 -7.856 1.00 0.00 H new ATOM 0 HB2 ASP A 31 0.465 7.192 -5.148 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.415 7.403 -6.606 1.00 0.00 H new ATOM 455 N VAL A 32 0.419 4.603 -6.304 1.00 0.00 N ATOM 456 CA VAL A 32 1.132 3.346 -6.494 1.00 0.00 C ATOM 457 C VAL A 32 0.338 2.385 -7.375 1.00 0.00 C ATOM 458 O VAL A 32 0.840 1.894 -8.388 1.00 0.00 O ATOM 459 CB VAL A 32 1.438 2.674 -5.138 1.00 0.00 C ATOM 460 CG1 VAL A 32 2.200 1.369 -5.329 1.00 0.00 C ATOM 461 CG2 VAL A 32 2.225 3.621 -4.247 1.00 0.00 C ATOM 0 H VAL A 32 0.212 4.823 -5.330 1.00 0.00 H new ATOM 0 HA VAL A 32 2.072 3.580 -6.994 1.00 0.00 H new ATOM 0 HB VAL A 32 0.489 2.441 -4.655 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.401 0.919 -4.357 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.602 0.683 -5.929 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.143 1.569 -5.838 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.434 3.135 -3.294 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.164 3.883 -4.734 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.642 4.525 -4.073 1.00 0.00 H new ATOM 471 N LEU A 33 -0.911 2.142 -7.007 1.00 0.00 N ATOM 472 CA LEU A 33 -1.745 1.189 -7.728 1.00 0.00 C ATOM 473 C LEU A 33 -2.160 1.734 -9.093 1.00 0.00 C ATOM 474 O LEU A 33 -2.254 0.988 -10.059 1.00 0.00 O ATOM 475 CB LEU A 33 -2.982 0.814 -6.904 1.00 0.00 C ATOM 476 CG LEU A 33 -2.754 -0.241 -5.807 1.00 0.00 C ATOM 477 CD1 LEU A 33 -1.766 0.250 -4.759 1.00 0.00 C ATOM 478 CD2 LEU A 33 -4.074 -0.618 -5.155 1.00 0.00 C ATOM 0 H LEU A 33 -1.370 2.590 -6.214 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.151 0.290 -7.891 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.374 1.718 -6.438 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.751 0.446 -7.583 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.326 -1.126 -6.278 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.629 -0.520 -4.000 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.809 0.466 -5.234 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.152 1.156 -4.292 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.897 -1.365 -4.381 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.525 0.268 -4.708 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.748 -1.028 -5.908 1.00 0.00 H new ATOM 490 N GLY A 34 -2.402 3.033 -9.171 1.00 0.00 N ATOM 491 CA GLY A 34 -2.794 3.634 -10.433 1.00 0.00 C ATOM 492 C GLY A 34 -1.655 3.684 -11.436 1.00 0.00 C ATOM 493 O GLY A 34 -1.835 3.364 -12.610 1.00 0.00 O ATOM 0 H GLY A 34 -2.335 3.682 -8.387 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.623 3.068 -10.858 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.158 4.645 -10.252 1.00 0.00 H new ATOM 497 N GLU A 35 -0.478 4.067 -10.962 1.00 0.00 N ATOM 498 CA GLU A 35 0.683 4.264 -11.823 1.00 0.00 C ATOM 499 C GLU A 35 1.249 2.925 -12.302 1.00 0.00 C ATOM 500 O GLU A 35 1.760 2.814 -13.419 1.00 0.00 O ATOM 501 CB GLU A 35 1.747 5.058 -11.057 1.00 0.00 C ATOM 502 CG GLU A 35 2.847 5.651 -11.921 1.00 0.00 C ATOM 503 CD GLU A 35 3.754 6.587 -11.142 1.00 0.00 C ATOM 504 OE1 GLU A 35 3.352 7.750 -10.903 1.00 0.00 O ATOM 505 OE2 GLU A 35 4.871 6.174 -10.771 1.00 0.00 O ATOM 0 H GLU A 35 -0.300 4.250 -9.974 1.00 0.00 H new ATOM 0 HA GLU A 35 0.378 4.824 -12.707 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.256 5.866 -10.514 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.202 4.404 -10.313 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.443 4.845 -12.349 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.399 6.193 -12.754 1.00 0.00 H new ATOM 512 N LEU A 36 1.148 1.904 -11.458 1.00 0.00 N ATOM 513 CA LEU A 36 1.682 0.585 -11.795 1.00 0.00 C ATOM 514 C LEU A 36 0.594 -0.337 -12.339 1.00 0.00 C ATOM 515 O LEU A 36 0.884 -1.447 -12.785 1.00 0.00 O ATOM 516 CB LEU A 36 2.334 -0.053 -10.568 1.00 0.00 C ATOM 517 CG LEU A 36 3.493 0.738 -9.961 1.00 0.00 C ATOM 518 CD1 LEU A 36 4.044 0.022 -8.737 1.00 0.00 C ATOM 519 CD2 LEU A 36 4.588 0.948 -10.997 1.00 0.00 C ATOM 0 H LEU A 36 0.705 1.961 -10.541 1.00 0.00 H new ATOM 0 HA LEU A 36 2.432 0.722 -12.574 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.571 -0.193 -9.803 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.696 -1.044 -10.843 1.00 0.00 H new ATOM 0 HG LEU A 36 3.122 1.714 -9.647 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.868 0.599 -8.318 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.257 -0.081 -7.990 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.403 -0.966 -9.024 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.407 1.513 -10.551 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.957 -0.019 -11.337 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.185 1.502 -11.845 1.00 0.00 H new ATOM 531 N GLU A 37 -0.646 0.142 -12.303 1.00 0.00 N ATOM 532 CA GLU A 37 -1.814 -0.638 -12.719 1.00 0.00 C ATOM 533 C GLU A 37 -1.982 -1.875 -11.834 1.00 0.00 C ATOM 534 O GLU A 37 -1.663 -2.998 -12.225 1.00 0.00 O ATOM 535 CB GLU A 37 -1.739 -1.026 -14.203 1.00 0.00 C ATOM 536 CG GLU A 37 -2.973 -1.760 -14.708 1.00 0.00 C ATOM 537 CD GLU A 37 -2.946 -1.976 -16.206 1.00 0.00 C ATOM 538 OE1 GLU A 37 -2.172 -2.833 -16.680 1.00 0.00 O ATOM 539 OE2 GLU A 37 -3.701 -1.283 -16.923 1.00 0.00 O ATOM 0 H GLU A 37 -0.873 1.084 -11.984 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.694 -0.007 -12.595 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.595 -0.124 -14.798 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.863 -1.655 -14.361 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.049 -2.725 -14.206 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.864 -1.192 -14.442 1.00 0.00 H new ATOM 546 N ILE A 38 -2.460 -1.645 -10.623 1.00 0.00 N ATOM 547 CA ILE A 38 -2.701 -2.714 -9.667 1.00 0.00 C ATOM 548 C ILE A 38 -4.156 -2.681 -9.213 1.00 0.00 C ATOM 549 O ILE A 38 -4.598 -1.703 -8.613 1.00 0.00 O ATOM 550 CB ILE A 38 -1.778 -2.592 -8.433 1.00 0.00 C ATOM 551 CG1 ILE A 38 -0.308 -2.569 -8.861 1.00 0.00 C ATOM 552 CG2 ILE A 38 -2.037 -3.738 -7.457 1.00 0.00 C ATOM 553 CD1 ILE A 38 0.651 -2.327 -7.713 1.00 0.00 C ATOM 0 H ILE A 38 -2.692 -0.715 -10.275 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.484 -3.660 -10.164 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.001 -1.653 -7.927 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.061 -3.518 -9.336 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.168 -1.791 -9.611 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.379 -3.637 -6.594 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.075 -3.707 -7.127 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.842 -4.689 -7.953 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.674 -2.323 -8.088 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.430 -1.365 -7.251 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.539 -3.119 -6.972 1.00 0.00 H new ATOM 565 N PRO A 39 -4.923 -3.737 -9.516 1.00 0.00 N ATOM 566 CA PRO A 39 -6.339 -3.814 -9.155 1.00 0.00 C ATOM 567 C PRO A 39 -6.564 -3.904 -7.647 1.00 0.00 C ATOM 568 O PRO A 39 -6.272 -4.925 -7.018 1.00 0.00 O ATOM 569 CB PRO A 39 -6.831 -5.099 -9.842 1.00 0.00 C ATOM 570 CG PRO A 39 -5.763 -5.463 -10.819 1.00 0.00 C ATOM 571 CD PRO A 39 -4.481 -4.933 -10.245 1.00 0.00 C ATOM 0 HA PRO A 39 -6.872 -2.917 -9.468 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.987 -5.897 -9.116 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.784 -4.935 -10.345 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -5.712 -6.543 -10.957 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -5.963 -5.026 -11.797 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -4.004 -5.657 -9.584 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -3.759 -4.688 -11.024 1.00 0.00 H new ATOM 579 N ILE A 40 -7.092 -2.828 -7.075 1.00 0.00 N ATOM 580 CA ILE A 40 -7.438 -2.796 -5.656 1.00 0.00 C ATOM 581 C ILE A 40 -8.800 -3.463 -5.455 1.00 0.00 C ATOM 582 O ILE A 40 -9.267 -3.669 -4.334 1.00 0.00 O ATOM 583 CB ILE A 40 -7.476 -1.342 -5.120 1.00 0.00 C ATOM 584 CG1 ILE A 40 -7.573 -1.331 -3.589 1.00 0.00 C ATOM 585 CG2 ILE A 40 -8.634 -0.567 -5.742 1.00 0.00 C ATOM 586 CD1 ILE A 40 -7.648 0.055 -2.989 1.00 0.00 C ATOM 0 H ILE A 40 -7.291 -1.961 -7.574 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.673 -3.337 -5.099 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.547 -0.849 -5.405 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -8.455 -1.895 -3.287 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.707 -1.848 -3.176 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -8.642 0.451 -5.352 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -8.513 -0.540 -6.825 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -9.575 -1.058 -5.494 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -7.715 -0.021 -1.904 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -6.754 0.617 -3.259 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.530 0.570 -3.371 1.00 0.00 H new ATOM 598 N GLU A 41 -9.417 -3.807 -6.571 1.00 0.00 N ATOM 599 CA GLU A 41 -10.749 -4.385 -6.590 1.00 0.00 C ATOM 600 C GLU A 41 -10.761 -5.807 -6.025 1.00 0.00 C ATOM 601 O GLU A 41 -11.742 -6.237 -5.420 1.00 0.00 O ATOM 602 CB GLU A 41 -11.252 -4.392 -8.031 1.00 0.00 C ATOM 603 CG GLU A 41 -12.710 -4.770 -8.191 1.00 0.00 C ATOM 604 CD GLU A 41 -13.115 -4.827 -9.646 1.00 0.00 C ATOM 605 OE1 GLU A 41 -12.788 -3.885 -10.395 1.00 0.00 O ATOM 606 OE2 GLU A 41 -13.733 -5.832 -10.055 1.00 0.00 O ATOM 0 H GLU A 41 -9.005 -3.692 -7.497 1.00 0.00 H new ATOM 0 HA GLU A 41 -11.401 -3.782 -5.958 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.098 -3.402 -8.460 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.645 -5.088 -8.610 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -12.888 -5.739 -7.725 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -13.334 -4.045 -7.668 1.00 0.00 H new ATOM 613 N THR A 42 -9.668 -6.536 -6.207 1.00 0.00 N ATOM 614 CA THR A 42 -9.645 -7.945 -5.842 1.00 0.00 C ATOM 615 C THR A 42 -9.050 -8.186 -4.451 1.00 0.00 C ATOM 616 O THR A 42 -9.524 -9.056 -3.723 1.00 0.00 O ATOM 617 CB THR A 42 -8.890 -8.792 -6.892 1.00 0.00 C ATOM 618 OG1 THR A 42 -8.782 -10.152 -6.452 1.00 0.00 O ATOM 619 CG2 THR A 42 -7.506 -8.226 -7.168 1.00 0.00 C ATOM 0 H THR A 42 -8.796 -6.181 -6.600 1.00 0.00 H new ATOM 0 HA THR A 42 -10.687 -8.263 -5.815 1.00 0.00 H new ATOM 0 HB THR A 42 -9.463 -8.759 -7.819 1.00 0.00 H new ATOM 0 HG1 THR A 42 -8.303 -10.677 -7.127 1.00 0.00 H new ATOM 0 HG21 THR A 42 -7.001 -8.844 -7.910 1.00 0.00 H new ATOM 0 HG22 THR A 42 -7.598 -7.208 -7.546 1.00 0.00 H new ATOM 0 HG23 THR A 42 -6.925 -8.220 -6.246 1.00 0.00 H new ATOM 627 N VAL A 43 -8.031 -7.425 -4.072 1.00 0.00 N ATOM 628 CA VAL A 43 -7.354 -7.658 -2.799 1.00 0.00 C ATOM 629 C VAL A 43 -7.516 -6.463 -1.865 1.00 0.00 C ATOM 630 O VAL A 43 -7.859 -5.366 -2.307 1.00 0.00 O ATOM 631 CB VAL A 43 -5.856 -7.987 -2.992 1.00 0.00 C ATOM 632 CG1 VAL A 43 -5.688 -9.191 -3.900 1.00 0.00 C ATOM 633 CG2 VAL A 43 -5.087 -6.798 -3.544 1.00 0.00 C ATOM 0 H VAL A 43 -7.657 -6.650 -4.619 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.829 -8.526 -2.342 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.443 -8.223 -2.011 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.627 -9.408 -4.024 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.185 -10.054 -3.456 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.131 -8.978 -4.873 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.038 -7.068 -3.666 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.503 -6.513 -4.510 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.168 -5.960 -2.852 1.00 0.00 H new ATOM 643 N VAL A 44 -7.267 -6.677 -0.582 1.00 0.00 N ATOM 644 CA VAL A 44 -7.528 -5.658 0.427 1.00 0.00 C ATOM 645 C VAL A 44 -6.245 -4.969 0.876 1.00 0.00 C ATOM 646 O VAL A 44 -5.252 -5.625 1.186 1.00 0.00 O ATOM 647 CB VAL A 44 -8.237 -6.267 1.658 1.00 0.00 C ATOM 648 CG1 VAL A 44 -8.558 -5.194 2.692 1.00 0.00 C ATOM 649 CG2 VAL A 44 -9.499 -7.008 1.235 1.00 0.00 C ATOM 0 H VAL A 44 -6.884 -7.548 -0.213 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.179 -4.916 -0.035 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.558 -6.983 2.121 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.056 -5.650 3.547 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.634 -4.718 3.022 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.213 -4.445 2.248 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.985 -7.430 2.115 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.180 -6.314 0.742 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -9.236 -7.810 0.546 1.00 0.00 H new ATOM 659 N VAL A 45 -6.276 -3.642 0.909 1.00 0.00 N ATOM 660 CA VAL A 45 -5.147 -2.856 1.384 1.00 0.00 C ATOM 661 C VAL A 45 -5.431 -2.334 2.791 1.00 0.00 C ATOM 662 O VAL A 45 -6.506 -1.787 3.054 1.00 0.00 O ATOM 663 CB VAL A 45 -4.853 -1.661 0.447 1.00 0.00 C ATOM 664 CG1 VAL A 45 -3.646 -0.871 0.935 1.00 0.00 C ATOM 665 CG2 VAL A 45 -4.639 -2.138 -0.980 1.00 0.00 C ATOM 0 H VAL A 45 -7.077 -3.086 0.610 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.273 -3.507 1.396 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.719 -0.999 0.462 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.460 -0.036 0.259 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.842 -0.490 1.937 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.771 -1.521 0.958 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.434 -1.282 -1.623 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.794 -2.826 -1.011 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.536 -2.649 -1.331 1.00 0.00 H new ATOM 675 N LYS A 46 -4.485 -2.528 3.696 1.00 0.00 N ATOM 676 CA LYS A 46 -4.627 -2.068 5.071 1.00 0.00 C ATOM 677 C LYS A 46 -3.546 -1.060 5.435 1.00 0.00 C ATOM 678 O LYS A 46 -2.399 -1.180 5.002 1.00 0.00 O ATOM 679 CB LYS A 46 -4.539 -3.240 6.049 1.00 0.00 C ATOM 680 CG LYS A 46 -5.779 -4.107 6.118 1.00 0.00 C ATOM 681 CD LYS A 46 -5.599 -5.208 7.149 1.00 0.00 C ATOM 682 CE LYS A 46 -6.892 -5.961 7.394 1.00 0.00 C ATOM 683 NZ LYS A 46 -6.757 -6.960 8.486 1.00 0.00 N ATOM 0 H LYS A 46 -3.604 -3.004 3.502 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.605 -1.593 5.145 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.691 -3.865 5.769 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.331 -2.849 7.045 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.644 -3.496 6.377 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.979 -4.545 5.140 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.831 -5.903 6.809 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.246 -4.776 8.085 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.681 -5.253 7.646 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.197 -6.465 6.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.663 -7.452 8.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.022 -7.651 8.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.491 -6.477 9.368 1.00 0.00 H new ATOM 697 N LYS A 47 -3.925 -0.074 6.238 1.00 0.00 N ATOM 698 CA LYS A 47 -2.971 0.846 6.842 1.00 0.00 C ATOM 699 C LYS A 47 -2.720 0.427 8.280 1.00 0.00 C ATOM 700 O LYS A 47 -3.567 0.647 9.146 1.00 0.00 O ATOM 701 CB LYS A 47 -3.493 2.288 6.826 1.00 0.00 C ATOM 702 CG LYS A 47 -3.630 2.894 5.442 1.00 0.00 C ATOM 703 CD LYS A 47 -2.323 2.835 4.673 1.00 0.00 C ATOM 704 CE LYS A 47 -2.024 4.154 3.983 1.00 0.00 C ATOM 705 NZ LYS A 47 -1.666 5.217 4.959 1.00 0.00 N ATOM 0 H LYS A 47 -4.897 0.110 6.488 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.049 0.810 6.262 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.465 2.314 7.318 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.821 2.911 7.416 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.403 2.363 4.887 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.955 3.931 5.529 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.509 2.587 5.355 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.372 2.038 3.931 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.205 4.018 3.277 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.894 4.468 3.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.228 6.016 4.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.524 5.543 5.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.995 4.836 5.656 1.00 0.00 H new ATOM 719 N ASN A 48 -1.583 -0.224 8.515 1.00 0.00 N ATOM 720 CA ASN A 48 -1.184 -0.670 9.858 1.00 0.00 C ATOM 721 C ASN A 48 -2.141 -1.748 10.403 1.00 0.00 C ATOM 722 O ASN A 48 -1.943 -2.277 11.493 1.00 0.00 O ATOM 723 CB ASN A 48 -1.117 0.536 10.815 1.00 0.00 C ATOM 724 CG ASN A 48 -0.467 0.217 12.151 1.00 0.00 C ATOM 725 OD1 ASN A 48 -1.130 -0.203 13.098 1.00 0.00 O ATOM 726 ND2 ASN A 48 0.835 0.441 12.245 1.00 0.00 N ATOM 0 H ASN A 48 -0.910 -0.459 7.785 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.194 -1.121 9.787 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.562 1.341 10.333 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.127 0.906 10.991 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.321 0.265 13.125 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.352 0.790 11.438 1.00 0.00 H new ATOM 733 N GLY A 49 -3.158 -2.088 9.621 1.00 0.00 N ATOM 734 CA GLY A 49 -4.161 -3.037 10.066 1.00 0.00 C ATOM 735 C GLY A 49 -5.568 -2.535 9.809 1.00 0.00 C ATOM 736 O GLY A 49 -6.538 -3.283 9.937 1.00 0.00 O ATOM 0 H GLY A 49 -3.307 -1.721 8.681 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.015 -3.987 9.552 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -4.033 -3.228 11.131 1.00 0.00 H new ATOM 740 N GLN A 50 -5.677 -1.264 9.441 1.00 0.00 N ATOM 741 CA GLN A 50 -6.966 -0.655 9.135 1.00 0.00 C ATOM 742 C GLN A 50 -7.331 -0.876 7.675 1.00 0.00 C ATOM 743 O GLN A 50 -6.536 -0.580 6.785 1.00 0.00 O ATOM 744 CB GLN A 50 -6.920 0.846 9.423 1.00 0.00 C ATOM 745 CG GLN A 50 -6.794 1.185 10.897 1.00 0.00 C ATOM 746 CD GLN A 50 -8.094 0.988 11.651 1.00 0.00 C ATOM 747 OE1 GLN A 50 -8.372 -0.093 12.173 1.00 0.00 O ATOM 748 NE2 GLN A 50 -8.899 2.036 11.708 1.00 0.00 N ATOM 0 H GLN A 50 -4.882 -0.631 9.347 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.722 -1.124 9.765 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.078 1.284 8.886 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -7.825 1.310 9.029 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.020 0.562 11.345 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.470 2.220 11.002 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.628 2.912 11.261 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.791 1.968 12.199 1.00 0.00 H new ATOM 757 N ILE A 51 -8.527 -1.391 7.430 1.00 0.00 N ATOM 758 CA ILE A 51 -8.985 -1.624 6.066 1.00 0.00 C ATOM 759 C ILE A 51 -9.280 -0.291 5.389 1.00 0.00 C ATOM 760 O ILE A 51 -10.186 0.437 5.796 1.00 0.00 O ATOM 761 CB ILE A 51 -10.246 -2.529 6.010 1.00 0.00 C ATOM 762 CG1 ILE A 51 -9.940 -3.941 6.532 1.00 0.00 C ATOM 763 CG2 ILE A 51 -10.789 -2.606 4.588 1.00 0.00 C ATOM 764 CD1 ILE A 51 -9.885 -4.050 8.042 1.00 0.00 C ATOM 0 H ILE A 51 -9.196 -1.655 8.153 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.186 -2.146 5.540 1.00 0.00 H new ATOM 0 HB ILE A 51 -11.003 -2.082 6.654 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -10.700 -4.627 6.158 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.985 -4.268 6.121 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -11.672 -3.245 4.570 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -11.057 -1.606 4.246 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -10.027 -3.022 3.929 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -9.664 -5.079 8.325 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -9.105 -3.393 8.426 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -10.847 -3.757 8.463 1.00 0.00 H new ATOM 776 N VAL A 52 -8.507 0.029 4.361 1.00 0.00 N ATOM 777 CA VAL A 52 -8.612 1.323 3.706 1.00 0.00 C ATOM 778 C VAL A 52 -8.833 1.174 2.208 1.00 0.00 C ATOM 779 O VAL A 52 -8.898 0.061 1.681 1.00 0.00 O ATOM 780 CB VAL A 52 -7.352 2.182 3.941 1.00 0.00 C ATOM 781 CG1 VAL A 52 -7.200 2.525 5.412 1.00 0.00 C ATOM 782 CG2 VAL A 52 -6.112 1.469 3.425 1.00 0.00 C ATOM 0 H VAL A 52 -7.801 -0.590 3.963 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.474 1.823 4.148 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.467 3.113 3.385 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.305 3.131 5.554 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.074 3.084 5.747 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -7.112 1.607 5.993 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.235 2.092 3.600 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.994 0.520 3.948 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.217 1.283 2.356 1.00 0.00 H new ATOM 792 N ILE A 53 -8.965 2.306 1.536 1.00 0.00 N ATOM 793 CA ILE A 53 -9.123 2.330 0.093 1.00 0.00 C ATOM 794 C ILE A 53 -7.924 3.012 -0.561 1.00 0.00 C ATOM 795 O ILE A 53 -6.932 3.318 0.102 1.00 0.00 O ATOM 796 CB ILE A 53 -10.426 3.045 -0.328 1.00 0.00 C ATOM 797 CG1 ILE A 53 -10.499 4.443 0.294 1.00 0.00 C ATOM 798 CG2 ILE A 53 -11.640 2.215 0.065 1.00 0.00 C ATOM 799 CD1 ILE A 53 -11.730 5.228 -0.112 1.00 0.00 C ATOM 0 H ILE A 53 -8.966 3.228 1.973 1.00 0.00 H new ATOM 0 HA ILE A 53 -9.182 1.296 -0.246 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.424 3.156 -1.412 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -10.481 4.349 1.380 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -9.610 5.005 0.008 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -12.549 2.734 -0.239 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -11.593 1.245 -0.430 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -11.648 2.071 1.145 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -11.712 6.207 0.367 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -11.740 5.354 -1.195 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.625 4.688 0.199 1.00 0.00 H new ATOM 811 N ASP A 54 -8.030 3.265 -1.857 1.00 0.00 N ATOM 812 CA ASP A 54 -6.933 3.830 -2.639 1.00 0.00 C ATOM 813 C ASP A 54 -6.787 5.334 -2.402 1.00 0.00 C ATOM 814 O ASP A 54 -5.824 5.953 -2.854 1.00 0.00 O ATOM 815 CB ASP A 54 -7.141 3.542 -4.134 1.00 0.00 C ATOM 816 CG ASP A 54 -8.482 4.030 -4.672 1.00 0.00 C ATOM 817 OD1 ASP A 54 -9.365 4.401 -3.867 1.00 0.00 O ATOM 818 OD2 ASP A 54 -8.670 4.020 -5.909 1.00 0.00 O ATOM 0 H ASP A 54 -8.876 3.086 -2.398 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.010 3.353 -2.309 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.339 4.014 -4.701 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.061 2.468 -4.303 1.00 0.00 H new ATOM 823 N GLU A 55 -7.733 5.905 -1.672 1.00 0.00 N ATOM 824 CA GLU A 55 -7.729 7.332 -1.376 1.00 0.00 C ATOM 825 C GLU A 55 -6.639 7.676 -0.355 1.00 0.00 C ATOM 826 O GLU A 55 -6.178 8.817 -0.279 1.00 0.00 O ATOM 827 CB GLU A 55 -9.103 7.741 -0.835 1.00 0.00 C ATOM 828 CG GLU A 55 -9.294 9.240 -0.686 1.00 0.00 C ATOM 829 CD GLU A 55 -9.397 9.949 -2.019 1.00 0.00 C ATOM 830 OE1 GLU A 55 -8.351 10.267 -2.612 1.00 0.00 O ATOM 831 OE2 GLU A 55 -10.538 10.200 -2.472 1.00 0.00 O ATOM 0 H GLU A 55 -8.521 5.397 -1.270 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.517 7.881 -2.294 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.873 7.353 -1.501 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.254 7.269 0.136 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.197 9.432 -0.106 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.459 9.655 -0.122 1.00 0.00 H new ATOM 838 N GLU A 56 -6.217 6.676 0.412 1.00 0.00 N ATOM 839 CA GLU A 56 -5.273 6.884 1.505 1.00 0.00 C ATOM 840 C GLU A 56 -3.879 7.247 1.010 1.00 0.00 C ATOM 841 O GLU A 56 -3.362 6.649 0.063 1.00 0.00 O ATOM 842 CB GLU A 56 -5.194 5.634 2.380 1.00 0.00 C ATOM 843 CG GLU A 56 -6.448 5.392 3.195 1.00 0.00 C ATOM 844 CD GLU A 56 -6.710 6.500 4.191 1.00 0.00 C ATOM 845 OE1 GLU A 56 -7.224 7.560 3.787 1.00 0.00 O ATOM 846 OE2 GLU A 56 -6.395 6.320 5.385 1.00 0.00 O ATOM 0 H GLU A 56 -6.516 5.708 0.296 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.646 7.725 2.089 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.008 4.767 1.746 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.343 5.724 3.055 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.302 5.300 2.524 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.356 4.444 3.725 1.00 0.00 H new ATOM 853 N GLU A 57 -3.285 8.239 1.654 1.00 0.00 N ATOM 854 CA GLU A 57 -1.904 8.613 1.401 1.00 0.00 C ATOM 855 C GLU A 57 -0.968 7.701 2.183 1.00 0.00 C ATOM 856 O GLU A 57 -1.284 7.287 3.299 1.00 0.00 O ATOM 857 CB GLU A 57 -1.642 10.068 1.808 1.00 0.00 C ATOM 858 CG GLU A 57 -2.427 11.103 1.011 1.00 0.00 C ATOM 859 CD GLU A 57 -3.865 11.265 1.469 1.00 0.00 C ATOM 860 OE1 GLU A 57 -4.283 10.581 2.428 1.00 0.00 O ATOM 861 OE2 GLU A 57 -4.582 12.094 0.872 1.00 0.00 O ATOM 0 H GLU A 57 -3.746 8.806 2.365 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.719 8.509 0.332 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.882 10.184 2.865 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.578 10.276 1.698 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.921 12.066 1.085 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.420 10.819 -0.041 1.00 0.00 H new ATOM 868 N ILE A 58 0.170 7.381 1.595 1.00 0.00 N ATOM 869 CA ILE A 58 1.172 6.578 2.273 1.00 0.00 C ATOM 870 C ILE A 58 2.143 7.498 3.005 1.00 0.00 C ATOM 871 O ILE A 58 2.473 8.578 2.514 1.00 0.00 O ATOM 872 CB ILE A 58 1.953 5.683 1.287 1.00 0.00 C ATOM 873 CG1 ILE A 58 0.988 4.930 0.366 1.00 0.00 C ATOM 874 CG2 ILE A 58 2.827 4.695 2.048 1.00 0.00 C ATOM 875 CD1 ILE A 58 1.680 4.106 -0.697 1.00 0.00 C ATOM 0 H ILE A 58 0.424 7.665 0.649 1.00 0.00 H new ATOM 0 HA ILE A 58 0.660 5.926 2.981 1.00 0.00 H new ATOM 0 HB ILE A 58 2.592 6.321 0.676 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.360 4.275 0.970 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.326 5.648 -0.117 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.372 4.071 1.340 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.536 5.241 2.671 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.200 4.065 2.679 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.933 3.602 -1.310 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.286 4.758 -1.326 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.321 3.363 -0.222 1.00 0.00 H new ATOM 887 N PHE A 59 2.576 7.082 4.183 1.00 0.00 N ATOM 888 CA PHE A 59 3.470 7.896 4.991 1.00 0.00 C ATOM 889 C PHE A 59 4.786 7.171 5.236 1.00 0.00 C ATOM 890 O PHE A 59 4.883 5.958 5.049 1.00 0.00 O ATOM 891 CB PHE A 59 2.809 8.246 6.329 1.00 0.00 C ATOM 892 CG PHE A 59 1.549 9.054 6.189 1.00 0.00 C ATOM 893 CD1 PHE A 59 1.607 10.433 6.058 1.00 0.00 C ATOM 894 CD2 PHE A 59 0.308 8.437 6.192 1.00 0.00 C ATOM 895 CE1 PHE A 59 0.452 11.179 5.930 1.00 0.00 C ATOM 896 CE2 PHE A 59 -0.851 9.178 6.064 1.00 0.00 C ATOM 897 CZ PHE A 59 -0.778 10.552 5.935 1.00 0.00 C ATOM 0 H PHE A 59 2.324 6.187 4.601 1.00 0.00 H new ATOM 0 HA PHE A 59 3.677 8.817 4.446 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.581 7.324 6.863 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.520 8.801 6.941 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.566 10.929 6.056 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.246 7.364 6.296 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.511 12.252 5.826 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.812 8.685 6.065 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.682 11.135 5.838 1.00 0.00 H new ATOM 907 N ASP A 60 5.799 7.924 5.631 1.00 0.00 N ATOM 908 CA ASP A 60 7.068 7.339 6.026 1.00 0.00 C ATOM 909 C ASP A 60 6.896 6.583 7.335 1.00 0.00 C ATOM 910 O ASP A 60 6.306 7.102 8.282 1.00 0.00 O ATOM 911 CB ASP A 60 8.137 8.420 6.185 1.00 0.00 C ATOM 912 CG ASP A 60 9.462 7.847 6.641 1.00 0.00 C ATOM 913 OD1 ASP A 60 10.232 7.377 5.782 1.00 0.00 O ATOM 914 OD2 ASP A 60 9.734 7.856 7.861 1.00 0.00 O ATOM 0 H ASP A 60 5.767 8.942 5.686 1.00 0.00 H new ATOM 0 HA ASP A 60 7.392 6.649 5.247 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.274 8.937 5.235 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.796 9.163 6.906 1.00 0.00 H new ATOM 919 N GLY A 61 7.384 5.353 7.373 1.00 0.00 N ATOM 920 CA GLY A 61 7.226 4.528 8.553 1.00 0.00 C ATOM 921 C GLY A 61 5.808 4.003 8.692 1.00 0.00 C ATOM 922 O GLY A 61 5.354 3.691 9.795 1.00 0.00 O ATOM 0 H GLY A 61 7.888 4.910 6.605 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.920 3.689 8.505 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.487 5.108 9.439 1.00 0.00 H new ATOM 926 N ASP A 62 5.100 3.936 7.572 1.00 0.00 N ATOM 927 CA ASP A 62 3.739 3.411 7.557 1.00 0.00 C ATOM 928 C ASP A 62 3.754 1.947 7.127 1.00 0.00 C ATOM 929 O ASP A 62 4.675 1.504 6.435 1.00 0.00 O ATOM 930 CB ASP A 62 2.859 4.243 6.618 1.00 0.00 C ATOM 931 CG ASP A 62 1.374 3.979 6.793 1.00 0.00 C ATOM 932 OD1 ASP A 62 0.949 3.659 7.924 1.00 0.00 O ATOM 933 OD2 ASP A 62 0.622 4.113 5.804 1.00 0.00 O ATOM 0 H ASP A 62 5.445 4.239 6.661 1.00 0.00 H new ATOM 0 HA ASP A 62 3.320 3.475 8.561 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.055 5.301 6.791 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.139 4.031 5.586 1.00 0.00 H new ATOM 938 N ILE A 63 2.751 1.200 7.553 1.00 0.00 N ATOM 939 CA ILE A 63 2.677 -0.225 7.254 1.00 0.00 C ATOM 940 C ILE A 63 1.546 -0.507 6.270 1.00 0.00 C ATOM 941 O ILE A 63 0.372 -0.271 6.566 1.00 0.00 O ATOM 942 CB ILE A 63 2.486 -1.086 8.540 1.00 0.00 C ATOM 943 CG1 ILE A 63 3.799 -1.214 9.327 1.00 0.00 C ATOM 944 CG2 ILE A 63 1.960 -2.474 8.195 1.00 0.00 C ATOM 945 CD1 ILE A 63 4.274 0.065 9.983 1.00 0.00 C ATOM 0 H ILE A 63 1.973 1.555 8.109 1.00 0.00 H new ATOM 0 HA ILE A 63 3.629 -0.506 6.804 1.00 0.00 H new ATOM 0 HB ILE A 63 1.754 -0.574 9.164 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.672 -1.975 10.097 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.577 -1.570 8.652 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.836 -3.054 9.110 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.999 -2.383 7.689 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.669 -2.979 7.539 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.207 -0.123 10.515 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.439 0.826 9.220 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.519 0.415 10.687 1.00 0.00 H new ATOM 957 N ILE A 64 1.906 -1.001 5.097 1.00 0.00 N ATOM 958 CA ILE A 64 0.930 -1.343 4.080 1.00 0.00 C ATOM 959 C ILE A 64 0.742 -2.854 4.029 1.00 0.00 C ATOM 960 O ILE A 64 1.635 -3.586 3.598 1.00 0.00 O ATOM 961 CB ILE A 64 1.363 -0.845 2.683 1.00 0.00 C ATOM 962 CG1 ILE A 64 1.701 0.650 2.718 1.00 0.00 C ATOM 963 CG2 ILE A 64 0.271 -1.119 1.659 1.00 0.00 C ATOM 964 CD1 ILE A 64 0.547 1.532 3.146 1.00 0.00 C ATOM 0 H ILE A 64 2.874 -1.174 4.826 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.007 -0.853 4.347 1.00 0.00 H new ATOM 0 HB ILE A 64 2.260 -1.391 2.390 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.537 0.807 3.399 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.034 0.960 1.728 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.592 -0.762 0.680 1.00 0.00 H new ATOM 0 HG22 ILE A 64 0.079 -2.191 1.609 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.642 -0.601 1.953 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.866 2.574 3.145 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.284 1.406 2.452 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.227 1.251 4.149 1.00 0.00 H new ATOM 976 N GLU A 65 -0.402 -3.327 4.487 1.00 0.00 N ATOM 977 CA GLU A 65 -0.691 -4.751 4.445 1.00 0.00 C ATOM 978 C GLU A 65 -1.633 -5.057 3.293 1.00 0.00 C ATOM 979 O GLU A 65 -2.815 -4.716 3.340 1.00 0.00 O ATOM 980 CB GLU A 65 -1.301 -5.235 5.765 1.00 0.00 C ATOM 981 CG GLU A 65 -0.455 -4.928 6.988 1.00 0.00 C ATOM 982 CD GLU A 65 -1.023 -5.538 8.254 1.00 0.00 C ATOM 983 OE1 GLU A 65 -2.154 -5.179 8.638 1.00 0.00 O ATOM 984 OE2 GLU A 65 -0.341 -6.388 8.868 1.00 0.00 O ATOM 0 H GLU A 65 -1.142 -2.752 4.890 1.00 0.00 H new ATOM 0 HA GLU A 65 0.249 -5.282 4.294 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.281 -4.775 5.890 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.459 -6.312 5.707 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.556 -5.303 6.830 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.379 -3.848 7.111 1.00 0.00 H new ATOM 991 N VAL A 66 -1.101 -5.675 2.250 1.00 0.00 N ATOM 992 CA VAL A 66 -1.907 -6.054 1.100 1.00 0.00 C ATOM 993 C VAL A 66 -2.321 -7.511 1.223 1.00 0.00 C ATOM 994 O VAL A 66 -1.529 -8.425 0.988 1.00 0.00 O ATOM 995 CB VAL A 66 -1.159 -5.827 -0.232 1.00 0.00 C ATOM 996 CG1 VAL A 66 -1.982 -6.330 -1.411 1.00 0.00 C ATOM 997 CG2 VAL A 66 -0.833 -4.352 -0.409 1.00 0.00 C ATOM 0 H VAL A 66 -0.115 -5.925 2.176 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.792 -5.417 1.089 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.228 -6.393 -0.200 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.433 -6.159 -2.337 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.172 -7.397 -1.294 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.931 -5.795 -1.447 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.306 -4.206 -1.352 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.757 -3.774 -0.417 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.202 -4.017 0.415 1.00 0.00 H new ATOM 1007 N ILE A 67 -3.563 -7.718 1.614 1.00 0.00 N ATOM 1008 CA ILE A 67 -4.077 -9.052 1.830 1.00 0.00 C ATOM 1009 C ILE A 67 -4.821 -9.539 0.598 1.00 0.00 C ATOM 1010 O ILE A 67 -5.922 -9.076 0.294 1.00 0.00 O ATOM 1011 CB ILE A 67 -5.016 -9.105 3.053 1.00 0.00 C ATOM 1012 CG1 ILE A 67 -4.284 -8.603 4.303 1.00 0.00 C ATOM 1013 CG2 ILE A 67 -5.534 -10.524 3.263 1.00 0.00 C ATOM 1014 CD1 ILE A 67 -5.149 -8.567 5.544 1.00 0.00 C ATOM 0 H ILE A 67 -4.237 -6.973 1.789 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.225 -9.704 2.022 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.871 -8.454 2.869 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.423 -9.244 4.490 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.900 -7.601 4.110 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -6.195 -10.546 4.129 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.084 -10.845 2.379 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.693 -11.197 3.431 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.562 -8.201 6.386 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.997 -7.903 5.377 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -5.512 -9.571 5.764 1.00 0.00 H new ATOM 1026 N ARG A 68 -4.196 -10.445 -0.130 1.00 0.00 N ATOM 1027 CA ARG A 68 -4.842 -11.075 -1.264 1.00 0.00 C ATOM 1028 C ARG A 68 -5.841 -12.112 -0.769 1.00 0.00 C ATOM 1029 O ARG A 68 -5.521 -12.932 0.092 1.00 0.00 O ATOM 1030 CB ARG A 68 -3.817 -11.720 -2.199 1.00 0.00 C ATOM 1031 CG ARG A 68 -2.809 -12.598 -1.485 1.00 0.00 C ATOM 1032 CD ARG A 68 -2.134 -13.567 -2.441 1.00 0.00 C ATOM 1033 NE ARG A 68 -3.096 -14.495 -3.039 1.00 0.00 N ATOM 1034 CZ ARG A 68 -3.124 -15.805 -2.788 1.00 0.00 C ATOM 1035 NH1 ARG A 68 -2.250 -16.350 -1.951 1.00 0.00 N ATOM 1036 NH2 ARG A 68 -4.040 -16.567 -3.373 1.00 0.00 N ATOM 0 H ARG A 68 -3.242 -10.761 0.044 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.369 -10.309 -1.833 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.343 -12.317 -2.944 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -3.285 -10.935 -2.737 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.055 -11.973 -1.007 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.308 -13.156 -0.693 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.629 -13.009 -3.229 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.368 -14.130 -1.908 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.787 -14.117 -3.687 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.550 -15.766 -1.494 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.279 -17.352 -1.765 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.718 -16.150 -4.011 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.066 -17.569 -3.185 1.00 0.00 H new