USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 468 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 22 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 25 MET CE :methyl -136:sc=-0.00116 (180deg=-2.21!) USER MOD Single : A 8 SER OG : rot -83:sc= 1.23 USER MOD Single : A 12 LYS NZ :NH3+ -167:sc=-0.00216 (180deg=-0.129) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 93:sc= 0.942 USER MOD Single : A 23 MET CE :methyl -157:sc= -0.033 (180deg=-0.371) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -160:sc= 0.747 (180deg=0.0336) USER MOD Single : A 34 LYS NZ :NH3+ 163:sc= 1.06 (180deg=0.68) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN :FLIP amide:sc=-0.00201 F(o=-1.2,f=-0.002) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 136:sc= 0.133 (180deg=-2.59!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.00416 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.00107 USER MOD Single : A 60 MET CE :methyl 167:sc= -0.0551 (180deg=-0.341) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -13.611 -4.597 -1.248 1.00 0.00 N ATOM 60 CA GLY A 7 -13.002 -3.358 -1.696 1.00 0.00 C ATOM 61 C GLY A 7 -11.500 -3.497 -1.839 1.00 0.00 C ATOM 62 O GLY A 7 -10.962 -4.607 -1.870 1.00 0.00 O ATOM 0 HA2 GLY A 7 -13.434 -3.064 -2.653 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.229 -2.562 -0.986 1.00 0.00 H new ATOM 66 N SER A 8 -10.839 -2.349 -1.917 1.00 0.00 N ATOM 67 CA SER A 8 -9.403 -2.206 -2.065 1.00 0.00 C ATOM 68 C SER A 8 -8.917 -1.050 -1.189 1.00 0.00 C ATOM 69 O SER A 8 -9.713 -0.213 -0.736 1.00 0.00 O ATOM 70 CB SER A 8 -9.081 -1.958 -3.546 1.00 0.00 C ATOM 71 OG SER A 8 -10.001 -1.050 -4.127 1.00 0.00 O ATOM 0 H SER A 8 -11.318 -1.449 -1.876 1.00 0.00 H new ATOM 0 HA SER A 8 -8.891 -3.113 -1.744 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.069 -1.564 -3.639 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.106 -2.903 -4.089 1.00 0.00 H new ATOM 0 HG SER A 8 -10.810 -1.532 -4.398 1.00 0.00 H new ATOM 77 N VAL A 9 -7.616 -1.014 -0.904 1.00 0.00 N ATOM 78 CA VAL A 9 -7.035 0.048 -0.103 1.00 0.00 C ATOM 79 C VAL A 9 -6.700 1.209 -1.038 1.00 0.00 C ATOM 80 O VAL A 9 -6.085 1.019 -2.090 1.00 0.00 O ATOM 81 CB VAL A 9 -5.775 -0.415 0.654 1.00 0.00 C ATOM 82 CG1 VAL A 9 -5.249 0.732 1.536 1.00 0.00 C ATOM 83 CG2 VAL A 9 -6.066 -1.635 1.544 1.00 0.00 C ATOM 0 H VAL A 9 -6.946 -1.715 -1.221 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.754 0.355 0.657 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.028 -0.698 -0.088 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.358 0.401 2.070 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.000 1.588 0.909 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.017 1.020 2.254 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.155 -1.933 2.062 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.832 -1.377 2.276 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.418 -2.461 0.926 1.00 0.00 H new ATOM 93 N VAL A 10 -7.081 2.411 -0.625 1.00 0.00 N ATOM 94 CA VAL A 10 -6.834 3.650 -1.332 1.00 0.00 C ATOM 95 C VAL A 10 -6.213 4.633 -0.331 1.00 0.00 C ATOM 96 O VAL A 10 -6.294 4.460 0.892 1.00 0.00 O ATOM 97 CB VAL A 10 -8.103 4.168 -2.052 1.00 0.00 C ATOM 98 CG1 VAL A 10 -8.748 3.093 -2.943 1.00 0.00 C ATOM 99 CG2 VAL A 10 -9.173 4.699 -1.098 1.00 0.00 C ATOM 0 H VAL A 10 -7.591 2.549 0.248 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.127 3.506 -2.149 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.742 4.994 -2.665 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.634 3.505 -3.426 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.035 2.775 -3.703 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.033 2.237 -2.332 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.033 5.045 -1.672 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.485 3.903 -0.421 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.766 5.528 -0.520 1.00 0.00 H new ATOM 109 N ALA A 11 -5.560 5.657 -0.856 1.00 0.00 N ATOM 110 CA ALA A 11 -4.898 6.718 -0.127 1.00 0.00 C ATOM 111 C ALA A 11 -5.954 7.594 0.552 1.00 0.00 C ATOM 112 O ALA A 11 -6.814 8.172 -0.111 1.00 0.00 O ATOM 113 CB ALA A 11 -4.053 7.515 -1.120 1.00 0.00 C ATOM 0 H ALA A 11 -5.475 5.773 -1.866 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.246 6.322 0.652 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.542 8.323 -0.596 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.316 6.857 -1.580 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.698 7.934 -1.892 1.00 0.00 H new ATOM 119 N LYS A 12 -5.940 7.682 1.883 1.00 0.00 N ATOM 120 CA LYS A 12 -6.908 8.507 2.619 1.00 0.00 C ATOM 121 C LYS A 12 -6.673 9.995 2.355 1.00 0.00 C ATOM 122 O LYS A 12 -7.601 10.802 2.471 1.00 0.00 O ATOM 123 CB LYS A 12 -6.783 8.188 4.116 1.00 0.00 C ATOM 124 CG LYS A 12 -7.834 8.883 4.990 1.00 0.00 C ATOM 125 CD LYS A 12 -7.703 8.469 6.460 1.00 0.00 C ATOM 126 CE LYS A 12 -8.661 7.363 6.898 1.00 0.00 C ATOM 127 NZ LYS A 12 -10.086 7.755 6.838 1.00 0.00 N ATOM 0 H LYS A 12 -5.270 7.193 2.476 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.918 8.277 2.279 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.864 7.110 4.256 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.790 8.480 4.458 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.724 9.964 4.904 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.832 8.635 4.628 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.680 8.138 6.641 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.870 9.345 7.087 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.507 6.489 6.266 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.417 7.066 7.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.661 7.054 7.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.208 8.689 7.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.393 7.798 5.845 1.00 0.00 H new ATOM 141 N VAL A 13 -5.427 10.353 2.063 1.00 0.00 N ATOM 142 CA VAL A 13 -4.927 11.688 1.783 1.00 0.00 C ATOM 143 C VAL A 13 -3.818 11.540 0.741 1.00 0.00 C ATOM 144 O VAL A 13 -3.387 10.416 0.490 1.00 0.00 O ATOM 145 CB VAL A 13 -4.365 12.303 3.083 1.00 0.00 C ATOM 146 CG1 VAL A 13 -5.443 12.402 4.182 1.00 0.00 C ATOM 147 CG2 VAL A 13 -3.174 11.520 3.672 1.00 0.00 C ATOM 0 H VAL A 13 -4.683 9.657 2.013 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.715 12.341 1.409 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.023 13.294 2.786 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.008 12.840 5.080 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.262 13.030 3.833 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.822 11.406 4.411 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.832 12.010 4.584 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.487 10.502 3.903 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.361 11.494 2.947 1.00 0.00 H new ATOM 157 N LYS A 14 -3.350 12.630 0.130 1.00 0.00 N ATOM 158 CA LYS A 14 -2.273 12.545 -0.853 1.00 0.00 C ATOM 159 C LYS A 14 -1.003 12.157 -0.094 1.00 0.00 C ATOM 160 O LYS A 14 -0.681 12.808 0.908 1.00 0.00 O ATOM 161 CB LYS A 14 -2.176 13.876 -1.612 1.00 0.00 C ATOM 162 CG LYS A 14 -0.942 14.043 -2.517 1.00 0.00 C ATOM 163 CD LYS A 14 -1.079 15.372 -3.265 1.00 0.00 C ATOM 164 CE LYS A 14 0.140 15.692 -4.132 1.00 0.00 C ATOM 165 NZ LYS A 14 0.036 17.045 -4.716 1.00 0.00 N ATOM 0 H LYS A 14 -3.698 13.574 0.298 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.449 11.786 -1.615 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.070 13.989 -2.225 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.183 14.688 -0.885 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.029 14.033 -1.922 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.872 13.215 -3.222 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.968 15.340 -3.894 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.228 16.176 -2.544 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.047 15.620 -3.531 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.227 14.954 -4.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.875 17.237 -5.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.817 17.103 -5.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.023 17.749 -3.953 1.00 0.00 H new ATOM 179 N ILE A 15 -0.289 11.126 -0.540 1.00 0.00 N ATOM 180 CA ILE A 15 0.929 10.621 0.083 1.00 0.00 C ATOM 181 C ILE A 15 2.115 10.916 -0.851 1.00 0.00 C ATOM 182 O ILE A 15 2.263 10.227 -1.862 1.00 0.00 O ATOM 183 CB ILE A 15 0.794 9.107 0.404 1.00 0.00 C ATOM 184 CG1 ILE A 15 -0.586 8.725 0.981 1.00 0.00 C ATOM 185 CG2 ILE A 15 1.914 8.717 1.377 1.00 0.00 C ATOM 186 CD1 ILE A 15 -0.737 7.236 1.298 1.00 0.00 C ATOM 0 H ILE A 15 -0.553 10.602 -1.374 1.00 0.00 H new ATOM 0 HA ILE A 15 1.103 11.123 1.035 1.00 0.00 H new ATOM 0 HB ILE A 15 0.884 8.555 -0.532 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.759 9.299 1.891 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.359 9.015 0.269 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.836 7.656 1.615 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.882 8.916 0.916 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.821 9.302 2.292 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.733 7.049 1.699 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.597 6.654 0.387 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.012 6.943 2.034 1.00 0.00 H new ATOM 198 N PRO A 16 2.965 11.920 -0.575 1.00 0.00 N ATOM 199 CA PRO A 16 4.096 12.229 -1.435 1.00 0.00 C ATOM 200 C PRO A 16 5.155 11.135 -1.347 1.00 0.00 C ATOM 201 O PRO A 16 5.362 10.540 -0.284 1.00 0.00 O ATOM 202 CB PRO A 16 4.617 13.587 -0.972 1.00 0.00 C ATOM 203 CG PRO A 16 4.228 13.632 0.504 1.00 0.00 C ATOM 204 CD PRO A 16 2.936 12.817 0.566 1.00 0.00 C ATOM 0 HA PRO A 16 3.811 12.273 -2.486 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.696 13.670 -1.106 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.162 14.404 -1.532 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.004 13.200 1.136 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.072 14.655 0.846 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.874 12.257 1.499 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.063 13.468 0.526 1.00 0.00 H new ATOM 212 N GLU A 17 5.857 10.909 -2.461 1.00 0.00 N ATOM 213 CA GLU A 17 6.899 9.900 -2.573 1.00 0.00 C ATOM 214 C GLU A 17 7.892 9.992 -1.414 1.00 0.00 C ATOM 215 O GLU A 17 8.283 11.086 -0.989 1.00 0.00 O ATOM 216 CB GLU A 17 7.595 10.007 -3.935 1.00 0.00 C ATOM 217 CG GLU A 17 8.719 8.969 -4.112 1.00 0.00 C ATOM 218 CD GLU A 17 10.070 9.337 -3.499 1.00 0.00 C ATOM 219 OE1 GLU A 17 10.565 10.458 -3.761 1.00 0.00 O ATOM 220 OE2 GLU A 17 10.676 8.503 -2.784 1.00 0.00 O ATOM 0 H GLU A 17 5.710 11.435 -3.323 1.00 0.00 H new ATOM 0 HA GLU A 17 6.436 8.915 -2.509 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.857 9.876 -4.727 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.010 11.009 -4.049 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.389 8.026 -3.676 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.861 8.794 -5.178 1.00 0.00 H new ATOM 227 N GLY A 18 8.301 8.828 -0.914 1.00 0.00 N ATOM 228 CA GLY A 18 9.245 8.707 0.178 1.00 0.00 C ATOM 229 C GLY A 18 8.574 8.703 1.545 1.00 0.00 C ATOM 230 O GLY A 18 9.254 8.518 2.554 1.00 0.00 O ATOM 0 H GLY A 18 7.975 7.929 -1.268 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.817 7.787 0.057 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.956 9.532 0.130 1.00 0.00 H new ATOM 234 N THR A 19 7.256 8.878 1.612 1.00 0.00 N ATOM 235 CA THR A 19 6.549 8.879 2.881 1.00 0.00 C ATOM 236 C THR A 19 6.268 7.438 3.313 1.00 0.00 C ATOM 237 O THR A 19 5.973 6.580 2.475 1.00 0.00 O ATOM 238 CB THR A 19 5.257 9.680 2.709 1.00 0.00 C ATOM 239 OG1 THR A 19 5.560 11.029 2.426 1.00 0.00 O ATOM 240 CG2 THR A 19 4.355 9.641 3.932 1.00 0.00 C ATOM 0 H THR A 19 6.659 9.021 0.797 1.00 0.00 H new ATOM 0 HA THR A 19 7.150 9.344 3.662 1.00 0.00 H new ATOM 0 HB THR A 19 4.720 9.212 1.884 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.595 11.160 1.455 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.457 10.229 3.741 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.074 8.609 4.144 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.886 10.056 4.789 1.00 0.00 H new ATOM 248 N ILE A 20 6.408 7.165 4.611 1.00 0.00 N ATOM 249 CA ILE A 20 6.142 5.857 5.195 1.00 0.00 C ATOM 250 C ILE A 20 4.618 5.772 5.327 1.00 0.00 C ATOM 251 O ILE A 20 3.970 6.734 5.739 1.00 0.00 O ATOM 252 CB ILE A 20 6.830 5.704 6.572 1.00 0.00 C ATOM 253 CG1 ILE A 20 8.360 5.918 6.525 1.00 0.00 C ATOM 254 CG2 ILE A 20 6.508 4.341 7.214 1.00 0.00 C ATOM 255 CD1 ILE A 20 9.158 4.832 5.790 1.00 0.00 C ATOM 0 H ILE A 20 6.714 7.859 5.293 1.00 0.00 H new ATOM 0 HA ILE A 20 6.539 5.054 4.574 1.00 0.00 H new ATOM 0 HB ILE A 20 6.417 6.500 7.192 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.560 6.877 6.048 1.00 0.00 H new ATOM 0 HG13 ILE A 20 8.731 5.987 7.548 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.007 4.267 8.180 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.431 4.250 7.354 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.858 3.540 6.562 1.00 0.00 H new ATOM 0 HD11 ILE A 20 10.219 5.080 5.816 1.00 0.00 H new ATOM 0 HD12 ILE A 20 8.998 3.870 6.277 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.825 4.774 4.754 1.00 0.00 H new ATOM 267 N LEU A 21 4.033 4.639 4.949 1.00 0.00 N ATOM 268 CA LEU A 21 2.603 4.407 5.022 1.00 0.00 C ATOM 269 C LEU A 21 2.208 4.155 6.468 1.00 0.00 C ATOM 270 O LEU A 21 2.819 3.325 7.146 1.00 0.00 O ATOM 271 CB LEU A 21 2.186 3.217 4.148 1.00 0.00 C ATOM 272 CG LEU A 21 2.194 3.489 2.632 1.00 0.00 C ATOM 273 CD1 LEU A 21 1.672 2.265 1.875 1.00 0.00 C ATOM 274 CD2 LEU A 21 1.317 4.687 2.256 1.00 0.00 C ATOM 0 H LEU A 21 4.554 3.845 4.577 1.00 0.00 H new ATOM 0 HA LEU A 21 2.089 5.292 4.647 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.854 2.381 4.356 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.184 2.904 4.441 1.00 0.00 H new ATOM 0 HG LEU A 21 3.226 3.707 2.358 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.682 2.468 0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.309 1.407 2.087 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.653 2.048 2.194 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.354 4.841 1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.288 4.494 2.560 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.684 5.580 2.762 1.00 0.00 H new ATOM 286 N THR A 22 1.166 4.842 6.926 1.00 0.00 N ATOM 287 CA THR A 22 0.620 4.722 8.270 1.00 0.00 C ATOM 288 C THR A 22 -0.879 4.465 8.127 1.00 0.00 C ATOM 289 O THR A 22 -1.463 4.750 7.069 1.00 0.00 O ATOM 290 CB THR A 22 0.939 5.969 9.123 1.00 0.00 C ATOM 291 OG1 THR A 22 0.299 7.122 8.617 1.00 0.00 O ATOM 292 CG2 THR A 22 2.442 6.246 9.219 1.00 0.00 C ATOM 0 H THR A 22 0.664 5.519 6.352 1.00 0.00 H new ATOM 0 HA THR A 22 1.080 3.891 8.805 1.00 0.00 H new ATOM 0 HB THR A 22 0.560 5.746 10.121 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.520 7.893 9.180 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.610 7.133 9.830 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.941 5.391 9.676 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.846 6.411 8.220 1.00 0.00 H new ATOM 300 N MET A 23 -1.528 3.950 9.174 1.00 0.00 N ATOM 301 CA MET A 23 -2.959 3.676 9.111 1.00 0.00 C ATOM 302 C MET A 23 -3.763 4.964 8.872 1.00 0.00 C ATOM 303 O MET A 23 -4.851 4.894 8.304 1.00 0.00 O ATOM 304 CB MET A 23 -3.467 2.996 10.392 1.00 0.00 C ATOM 305 CG MET A 23 -3.220 1.489 10.430 1.00 0.00 C ATOM 306 SD MET A 23 -3.936 0.561 9.041 1.00 0.00 S ATOM 307 CE MET A 23 -3.473 -1.107 9.564 1.00 0.00 C ATOM 0 H MET A 23 -1.088 3.718 10.065 1.00 0.00 H new ATOM 0 HA MET A 23 -3.108 2.997 8.271 1.00 0.00 H new ATOM 0 HB2 MET A 23 -2.982 3.456 11.253 1.00 0.00 H new ATOM 0 HB3 MET A 23 -4.536 3.182 10.491 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.145 1.312 10.450 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.626 1.092 11.361 1.00 0.00 H new ATOM 0 HE1 MET A 23 -3.447 -1.766 8.696 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.488 -1.082 10.030 1.00 0.00 H new ATOM 0 HE3 MET A 23 -4.205 -1.480 10.281 1.00 0.00 H new ATOM 317 N ASP A 24 -3.257 6.132 9.291 1.00 0.00 N ATOM 318 CA ASP A 24 -3.933 7.425 9.122 1.00 0.00 C ATOM 319 C ASP A 24 -3.881 7.944 7.687 1.00 0.00 C ATOM 320 O ASP A 24 -4.537 8.938 7.384 1.00 0.00 O ATOM 321 CB ASP A 24 -3.335 8.498 10.046 1.00 0.00 C ATOM 322 CG ASP A 24 -4.023 8.539 11.400 1.00 0.00 C ATOM 323 OD1 ASP A 24 -5.238 8.851 11.454 1.00 0.00 O ATOM 324 OD2 ASP A 24 -3.357 8.269 12.420 1.00 0.00 O ATOM 0 H ASP A 24 -2.356 6.206 9.763 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.974 7.239 9.386 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.272 8.302 10.187 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.419 9.474 9.568 1.00 0.00 H new ATOM 329 N MET A 25 -3.129 7.306 6.790 1.00 0.00 N ATOM 330 CA MET A 25 -3.030 7.732 5.396 1.00 0.00 C ATOM 331 C MET A 25 -3.641 6.693 4.454 1.00 0.00 C ATOM 332 O MET A 25 -3.548 6.835 3.238 1.00 0.00 O ATOM 333 CB MET A 25 -1.581 8.109 5.054 1.00 0.00 C ATOM 334 CG MET A 25 -1.132 9.302 5.910 1.00 0.00 C ATOM 335 SD MET A 25 0.438 10.071 5.435 1.00 0.00 S ATOM 336 CE MET A 25 1.548 8.672 5.698 1.00 0.00 C ATOM 0 H MET A 25 -2.572 6.480 7.010 1.00 0.00 H new ATOM 0 HA MET A 25 -3.623 8.635 5.252 1.00 0.00 H new ATOM 0 HB2 MET A 25 -0.924 7.257 5.230 1.00 0.00 H new ATOM 0 HB3 MET A 25 -1.502 8.360 3.996 1.00 0.00 H new ATOM 0 HG2 MET A 25 -1.912 10.063 5.876 1.00 0.00 H new ATOM 0 HG3 MET A 25 -1.054 8.972 6.946 1.00 0.00 H new ATOM 0 HE1 MET A 25 2.447 9.012 6.212 1.00 0.00 H new ATOM 0 HE2 MET A 25 1.046 7.919 6.306 1.00 0.00 H new ATOM 0 HE3 MET A 25 1.822 8.239 4.736 1.00 0.00 H new ATOM 346 N LEU A 26 -4.300 5.661 4.986 1.00 0.00 N ATOM 347 CA LEU A 26 -4.928 4.596 4.210 1.00 0.00 C ATOM 348 C LEU A 26 -6.407 4.508 4.576 1.00 0.00 C ATOM 349 O LEU A 26 -6.799 4.859 5.691 1.00 0.00 O ATOM 350 CB LEU A 26 -4.227 3.260 4.520 1.00 0.00 C ATOM 351 CG LEU A 26 -2.737 3.187 4.123 1.00 0.00 C ATOM 352 CD1 LEU A 26 -2.141 1.862 4.617 1.00 0.00 C ATOM 353 CD2 LEU A 26 -2.534 3.293 2.608 1.00 0.00 C ATOM 0 H LEU A 26 -4.413 5.542 5.993 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.836 4.810 3.145 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.311 3.065 5.589 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.762 2.461 4.007 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.233 4.034 4.588 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.089 1.810 4.337 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.231 1.804 5.702 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.679 1.030 4.164 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.470 3.237 2.379 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.056 2.474 2.113 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.932 4.244 2.253 1.00 0.00 H new ATOM 365 N THR A 27 -7.240 4.040 3.657 1.00 0.00 N ATOM 366 CA THR A 27 -8.673 3.862 3.840 1.00 0.00 C ATOM 367 C THR A 27 -9.099 2.689 2.944 1.00 0.00 C ATOM 368 O THR A 27 -8.361 2.318 2.028 1.00 0.00 O ATOM 369 CB THR A 27 -9.395 5.207 3.622 1.00 0.00 C ATOM 370 OG1 THR A 27 -10.759 5.144 3.976 1.00 0.00 O ATOM 371 CG2 THR A 27 -9.309 5.750 2.202 1.00 0.00 C ATOM 0 H THR A 27 -6.923 3.763 2.728 1.00 0.00 H new ATOM 0 HA THR A 27 -8.958 3.586 4.855 1.00 0.00 H new ATOM 0 HB THR A 27 -8.856 5.889 4.280 1.00 0.00 H new ATOM 0 HG1 THR A 27 -11.177 6.017 3.824 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.844 6.698 2.142 1.00 0.00 H new ATOM 0 HG22 THR A 27 -8.264 5.906 1.935 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.757 5.036 1.512 1.00 0.00 H new ATOM 379 N VAL A 28 -10.264 2.088 3.196 1.00 0.00 N ATOM 380 CA VAL A 28 -10.760 0.948 2.428 1.00 0.00 C ATOM 381 C VAL A 28 -11.974 1.375 1.627 1.00 0.00 C ATOM 382 O VAL A 28 -13.056 1.581 2.186 1.00 0.00 O ATOM 383 CB VAL A 28 -11.045 -0.248 3.355 1.00 0.00 C ATOM 384 CG1 VAL A 28 -11.652 -1.424 2.575 1.00 0.00 C ATOM 385 CG2 VAL A 28 -9.754 -0.669 4.070 1.00 0.00 C ATOM 0 H VAL A 28 -10.892 2.382 3.944 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.999 0.613 1.723 1.00 0.00 H new ATOM 0 HB VAL A 28 -11.777 0.057 4.102 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -11.842 -2.253 3.256 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -12.589 -1.110 2.115 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.956 -1.744 1.799 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.960 -1.516 4.725 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -9.006 -0.956 3.331 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -9.378 0.165 4.663 1.00 0.00 H new ATOM 395 N LYS A 29 -11.777 1.575 0.325 1.00 0.00 N ATOM 396 CA LYS A 29 -12.846 1.964 -0.569 1.00 0.00 C ATOM 397 C LYS A 29 -13.652 0.710 -0.868 1.00 0.00 C ATOM 398 O LYS A 29 -13.201 -0.136 -1.644 1.00 0.00 O ATOM 399 CB LYS A 29 -12.281 2.570 -1.864 1.00 0.00 C ATOM 400 CG LYS A 29 -13.417 2.999 -2.807 1.00 0.00 C ATOM 401 CD LYS A 29 -13.948 4.405 -2.526 1.00 0.00 C ATOM 402 CE LYS A 29 -13.037 5.417 -3.212 1.00 0.00 C ATOM 403 NZ LYS A 29 -13.421 6.796 -2.893 1.00 0.00 N ATOM 0 H LYS A 29 -10.871 1.470 -0.131 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.475 2.727 -0.110 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.656 3.430 -1.626 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.643 1.841 -2.364 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.060 2.953 -3.836 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -14.237 2.286 -2.722 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.969 4.504 -2.895 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.978 4.590 -1.452 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.006 5.246 -2.904 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.076 5.269 -4.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.028 7.440 -3.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.458 6.875 -2.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.049 7.052 -1.956 1.00 0.00 H new ATOM 417 N VAL A 30 -14.814 0.555 -0.243 1.00 0.00 N ATOM 418 CA VAL A 30 -15.671 -0.595 -0.498 1.00 0.00 C ATOM 419 C VAL A 30 -16.141 -0.408 -1.945 1.00 0.00 C ATOM 420 O VAL A 30 -16.671 0.662 -2.279 1.00 0.00 O ATOM 421 CB VAL A 30 -16.843 -0.649 0.499 1.00 0.00 C ATOM 422 CG1 VAL A 30 -17.633 -1.950 0.316 1.00 0.00 C ATOM 423 CG2 VAL A 30 -16.363 -0.580 1.957 1.00 0.00 C ATOM 0 H VAL A 30 -15.183 1.212 0.444 1.00 0.00 H new ATOM 0 HA VAL A 30 -15.152 -1.544 -0.367 1.00 0.00 H new ATOM 0 HB VAL A 30 -17.472 0.217 0.294 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -18.459 -1.977 1.026 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -18.026 -1.997 -0.700 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -16.976 -2.802 0.491 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -17.223 -0.621 2.626 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -15.703 -1.422 2.163 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -15.822 0.353 2.118 1.00 0.00 H new ATOM 433 N GLY A 31 -15.894 -1.380 -2.820 1.00 0.00 N ATOM 434 CA GLY A 31 -16.297 -1.289 -4.203 1.00 0.00 C ATOM 435 C GLY A 31 -15.728 -2.378 -5.095 1.00 0.00 C ATOM 436 O GLY A 31 -16.503 -3.158 -5.650 1.00 0.00 O ATOM 0 H GLY A 31 -15.410 -2.246 -2.582 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -17.385 -1.325 -4.255 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -15.992 -0.319 -4.595 1.00 0.00 H new ATOM 440 N GLU A 32 -14.412 -2.436 -5.277 1.00 0.00 N ATOM 441 CA GLU A 32 -13.755 -3.434 -6.112 1.00 0.00 C ATOM 442 C GLU A 32 -12.368 -3.772 -5.551 1.00 0.00 C ATOM 443 O GLU A 32 -11.778 -2.928 -4.878 1.00 0.00 O ATOM 444 CB GLU A 32 -13.661 -2.922 -7.566 1.00 0.00 C ATOM 445 CG GLU A 32 -12.780 -1.678 -7.772 1.00 0.00 C ATOM 446 CD GLU A 32 -12.660 -1.283 -9.254 1.00 0.00 C ATOM 447 OE1 GLU A 32 -12.311 -2.151 -10.087 1.00 0.00 O ATOM 448 OE2 GLU A 32 -12.849 -0.097 -9.611 1.00 0.00 O ATOM 0 H GLU A 32 -13.763 -1.781 -4.841 1.00 0.00 H new ATOM 0 HA GLU A 32 -14.347 -4.349 -6.109 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.276 -3.727 -8.192 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.667 -2.696 -7.920 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.198 -0.843 -7.209 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.786 -1.869 -7.368 1.00 0.00 H new ATOM 455 N PRO A 33 -11.803 -4.953 -5.863 1.00 0.00 N ATOM 456 CA PRO A 33 -10.482 -5.372 -5.388 1.00 0.00 C ATOM 457 C PRO A 33 -9.319 -4.747 -6.177 1.00 0.00 C ATOM 458 O PRO A 33 -8.167 -5.069 -5.917 1.00 0.00 O ATOM 459 CB PRO A 33 -10.483 -6.892 -5.541 1.00 0.00 C ATOM 460 CG PRO A 33 -11.321 -7.093 -6.803 1.00 0.00 C ATOM 461 CD PRO A 33 -12.404 -6.030 -6.642 1.00 0.00 C ATOM 0 HA PRO A 33 -10.322 -5.041 -4.362 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.475 -7.290 -5.655 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -10.925 -7.387 -4.676 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -10.735 -6.943 -7.710 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -11.741 -8.097 -6.857 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -12.741 -5.667 -7.613 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -13.278 -6.438 -6.133 1.00 0.00 H new ATOM 469 N LYS A 34 -9.585 -3.900 -7.176 1.00 0.00 N ATOM 470 CA LYS A 34 -8.541 -3.256 -7.966 1.00 0.00 C ATOM 471 C LYS A 34 -7.686 -2.419 -7.014 1.00 0.00 C ATOM 472 O LYS A 34 -8.162 -1.382 -6.553 1.00 0.00 O ATOM 473 CB LYS A 34 -9.193 -2.395 -9.056 1.00 0.00 C ATOM 474 CG LYS A 34 -8.180 -1.681 -9.967 1.00 0.00 C ATOM 475 CD LYS A 34 -8.786 -0.407 -10.570 1.00 0.00 C ATOM 476 CE LYS A 34 -9.924 -0.717 -11.552 1.00 0.00 C ATOM 477 NZ LYS A 34 -10.914 0.374 -11.592 1.00 0.00 N ATOM 0 H LYS A 34 -10.532 -3.644 -7.457 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.904 -3.987 -8.463 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.837 -3.026 -9.668 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.833 -1.649 -8.584 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.287 -1.428 -9.396 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.867 -2.353 -10.766 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.162 0.229 -9.769 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.007 0.156 -11.085 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.513 -0.874 -12.549 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.415 -1.645 -11.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.499 0.281 -12.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.521 0.323 -10.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.421 1.290 -11.608 1.00 0.00 H new ATOM 491 N GLY A 35 -6.466 -2.854 -6.713 1.00 0.00 N ATOM 492 CA GLY A 35 -5.557 -2.153 -5.832 1.00 0.00 C ATOM 493 C GLY A 35 -4.761 -3.109 -4.968 1.00 0.00 C ATOM 494 O GLY A 35 -3.821 -3.744 -5.449 1.00 0.00 O ATOM 0 H GLY A 35 -6.080 -3.722 -7.086 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.874 -1.544 -6.424 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.121 -1.472 -5.195 1.00 0.00 H new ATOM 498 N TYR A 36 -5.119 -3.186 -3.690 1.00 0.00 N ATOM 499 CA TYR A 36 -4.499 -4.030 -2.681 1.00 0.00 C ATOM 500 C TYR A 36 -5.627 -4.489 -1.750 1.00 0.00 C ATOM 501 O TYR A 36 -6.506 -3.672 -1.445 1.00 0.00 O ATOM 502 CB TYR A 36 -3.425 -3.216 -1.944 1.00 0.00 C ATOM 503 CG TYR A 36 -2.467 -4.042 -1.112 1.00 0.00 C ATOM 504 CD1 TYR A 36 -2.791 -4.390 0.213 1.00 0.00 C ATOM 505 CD2 TYR A 36 -1.247 -4.468 -1.672 1.00 0.00 C ATOM 506 CE1 TYR A 36 -1.902 -5.164 0.976 1.00 0.00 C ATOM 507 CE2 TYR A 36 -0.337 -5.215 -0.904 1.00 0.00 C ATOM 508 CZ TYR A 36 -0.668 -5.573 0.422 1.00 0.00 C ATOM 509 OH TYR A 36 0.199 -6.312 1.166 1.00 0.00 O ATOM 0 H TYR A 36 -5.889 -2.632 -3.314 1.00 0.00 H new ATOM 0 HA TYR A 36 -4.001 -4.902 -3.104 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.852 -2.648 -2.677 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -3.918 -2.493 -1.295 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.725 -4.061 0.644 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.010 -4.220 -2.696 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.161 -5.447 1.986 1.00 0.00 H new ATOM 0 HE2 TYR A 36 0.611 -5.514 -1.326 1.00 0.00 H new ATOM 0 HH TYR A 36 0.999 -6.510 0.635 1.00 0.00 H new ATOM 519 N PRO A 37 -5.610 -5.733 -1.241 1.00 0.00 N ATOM 520 CA PRO A 37 -6.665 -6.245 -0.377 1.00 0.00 C ATOM 521 C PRO A 37 -6.687 -5.584 1.002 1.00 0.00 C ATOM 522 O PRO A 37 -5.655 -5.522 1.675 1.00 0.00 O ATOM 523 CB PRO A 37 -6.419 -7.750 -0.261 1.00 0.00 C ATOM 524 CG PRO A 37 -4.916 -7.859 -0.484 1.00 0.00 C ATOM 525 CD PRO A 37 -4.633 -6.774 -1.515 1.00 0.00 C ATOM 0 HA PRO A 37 -7.641 -6.020 -0.808 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.713 -8.135 0.716 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.981 -8.311 -1.007 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.360 -7.692 0.438 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.635 -8.846 -0.852 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.615 -6.395 -1.421 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.738 -7.157 -2.530 1.00 0.00 H new ATOM 533 N PRO A 38 -7.860 -5.142 1.483 1.00 0.00 N ATOM 534 CA PRO A 38 -7.974 -4.514 2.787 1.00 0.00 C ATOM 535 C PRO A 38 -7.793 -5.513 3.928 1.00 0.00 C ATOM 536 O PRO A 38 -7.481 -5.095 5.043 1.00 0.00 O ATOM 537 CB PRO A 38 -9.355 -3.874 2.794 1.00 0.00 C ATOM 538 CG PRO A 38 -10.174 -4.763 1.868 1.00 0.00 C ATOM 539 CD PRO A 38 -9.149 -5.156 0.809 1.00 0.00 C ATOM 0 HA PRO A 38 -7.188 -3.777 2.949 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -9.778 -3.846 3.798 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -9.321 -2.846 2.434 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.576 -5.632 2.388 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.021 -4.230 1.437 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.367 -6.143 0.401 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.161 -4.456 -0.026 1.00 0.00 H new ATOM 547 N GLU A 39 -7.950 -6.817 3.693 1.00 0.00 N ATOM 548 CA GLU A 39 -7.772 -7.823 4.731 1.00 0.00 C ATOM 549 C GLU A 39 -6.312 -7.848 5.199 1.00 0.00 C ATOM 550 O GLU A 39 -6.052 -8.077 6.379 1.00 0.00 O ATOM 551 CB GLU A 39 -8.140 -9.214 4.205 1.00 0.00 C ATOM 552 CG GLU A 39 -9.647 -9.443 4.045 1.00 0.00 C ATOM 553 CD GLU A 39 -10.292 -8.616 2.931 1.00 0.00 C ATOM 554 OE1 GLU A 39 -9.650 -8.400 1.874 1.00 0.00 O ATOM 555 OE2 GLU A 39 -11.463 -8.209 3.082 1.00 0.00 O ATOM 0 H GLU A 39 -8.203 -7.200 2.782 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.426 -7.564 5.564 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.656 -9.366 3.240 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.739 -9.966 4.885 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.823 -10.500 3.846 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.141 -9.209 4.988 1.00 0.00 H new ATOM 562 N ASP A 40 -5.371 -7.552 4.299 1.00 0.00 N ATOM 563 CA ASP A 40 -3.931 -7.553 4.555 1.00 0.00 C ATOM 564 C ASP A 40 -3.362 -6.131 4.643 1.00 0.00 C ATOM 565 O ASP A 40 -2.145 -5.956 4.544 1.00 0.00 O ATOM 566 CB ASP A 40 -3.228 -8.380 3.461 1.00 0.00 C ATOM 567 CG ASP A 40 -3.523 -9.883 3.510 1.00 0.00 C ATOM 568 OD1 ASP A 40 -3.752 -10.451 4.608 1.00 0.00 O ATOM 569 OD2 ASP A 40 -3.481 -10.507 2.425 1.00 0.00 O ATOM 0 H ASP A 40 -5.600 -7.296 3.339 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.746 -8.012 5.526 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.526 -7.996 2.485 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -2.152 -8.231 3.547 1.00 0.00 H new ATOM 574 N ILE A 41 -4.212 -5.112 4.844 1.00 0.00 N ATOM 575 CA ILE A 41 -3.827 -3.697 4.950 1.00 0.00 C ATOM 576 C ILE A 41 -2.687 -3.476 5.951 1.00 0.00 C ATOM 577 O ILE A 41 -1.842 -2.607 5.739 1.00 0.00 O ATOM 578 CB ILE A 41 -5.061 -2.825 5.291 1.00 0.00 C ATOM 579 CG1 ILE A 41 -4.712 -1.321 5.204 1.00 0.00 C ATOM 580 CG2 ILE A 41 -5.660 -3.177 6.668 1.00 0.00 C ATOM 581 CD1 ILE A 41 -5.910 -0.390 5.393 1.00 0.00 C ATOM 0 H ILE A 41 -5.217 -5.255 4.940 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.445 -3.387 3.977 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.827 -3.044 4.547 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.962 -1.089 5.960 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.259 -1.120 4.233 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -6.523 -2.540 6.863 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.972 -4.221 6.673 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.909 -3.019 7.442 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.581 0.646 5.318 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.653 -0.592 4.621 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.352 -0.560 6.375 1.00 0.00 H new ATOM 593 N PHE A 42 -2.628 -4.278 7.017 1.00 0.00 N ATOM 594 CA PHE A 42 -1.605 -4.193 8.049 1.00 0.00 C ATOM 595 C PHE A 42 -0.193 -4.323 7.472 1.00 0.00 C ATOM 596 O PHE A 42 0.759 -3.835 8.078 1.00 0.00 O ATOM 597 CB PHE A 42 -1.847 -5.295 9.084 1.00 0.00 C ATOM 598 CG PHE A 42 -3.207 -5.246 9.749 1.00 0.00 C ATOM 599 CD1 PHE A 42 -3.416 -4.397 10.852 1.00 0.00 C ATOM 600 CD2 PHE A 42 -4.252 -6.081 9.301 1.00 0.00 C ATOM 601 CE1 PHE A 42 -4.653 -4.400 11.518 1.00 0.00 C ATOM 602 CE2 PHE A 42 -5.476 -6.099 9.991 1.00 0.00 C ATOM 603 CZ PHE A 42 -5.680 -5.259 11.098 1.00 0.00 C ATOM 0 H PHE A 42 -3.308 -5.019 7.186 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.675 -3.210 8.516 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.729 -6.264 8.599 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.078 -5.228 9.854 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.625 -3.743 11.187 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.112 -6.705 8.430 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.814 -3.739 12.356 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.265 -6.763 9.668 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.623 -5.274 11.624 1.00 0.00 H new ATOM 613 N ASN A 43 -0.037 -4.975 6.313 1.00 0.00 N ATOM 614 CA ASN A 43 1.255 -5.157 5.659 1.00 0.00 C ATOM 615 C ASN A 43 1.672 -3.928 4.862 1.00 0.00 C ATOM 616 O ASN A 43 2.835 -3.848 4.467 1.00 0.00 O ATOM 617 CB ASN A 43 1.225 -6.369 4.725 1.00 0.00 C ATOM 618 CG ASN A 43 1.044 -7.661 5.500 1.00 0.00 C ATOM 619 OD1 ASN A 43 -0.074 -8.339 5.306 1.00 0.00 O flip ATOM 620 ND2 ASN A 43 1.884 -8.016 6.324 1.00 0.00 N flip ATOM 0 H ASN A 43 -0.814 -5.393 5.802 1.00 0.00 H new ATOM 0 HA ASN A 43 1.985 -5.319 6.452 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.413 -6.257 4.007 1.00 0.00 H new ATOM 0 HB3 ASN A 43 2.152 -6.413 4.153 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.737 -7.471 6.450 1.00 0.00 H new ATOM 0 HD22 ASN A 43 1.728 -8.856 6.882 1.00 0.00 H new ATOM 627 N LEU A 44 0.751 -3.015 4.542 1.00 0.00 N ATOM 628 CA LEU A 44 1.080 -1.798 3.805 1.00 0.00 C ATOM 629 C LEU A 44 1.750 -0.818 4.756 1.00 0.00 C ATOM 630 O LEU A 44 2.600 -0.041 4.339 1.00 0.00 O ATOM 631 CB LEU A 44 -0.181 -1.115 3.245 1.00 0.00 C ATOM 632 CG LEU A 44 -0.819 -1.833 2.050 1.00 0.00 C ATOM 633 CD1 LEU A 44 -2.172 -1.195 1.741 1.00 0.00 C ATOM 634 CD2 LEU A 44 0.069 -1.734 0.811 1.00 0.00 C ATOM 0 H LEU A 44 -0.236 -3.100 4.786 1.00 0.00 H new ATOM 0 HA LEU A 44 1.733 -2.073 2.977 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.920 -1.037 4.042 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.075 -0.098 2.947 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.943 -2.885 2.309 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.628 -1.703 0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.823 -1.284 2.610 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.031 -0.141 1.500 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.408 -2.252 -0.021 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.214 -0.686 0.550 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.035 -2.194 1.018 1.00 0.00 H new ATOM 646 N VAL A 45 1.328 -0.818 6.018 1.00 0.00 N ATOM 647 CA VAL A 45 1.865 0.061 7.040 1.00 0.00 C ATOM 648 C VAL A 45 3.352 -0.280 7.220 1.00 0.00 C ATOM 649 O VAL A 45 3.744 -1.446 7.348 1.00 0.00 O ATOM 650 CB VAL A 45 0.949 0.000 8.276 1.00 0.00 C ATOM 651 CG1 VAL A 45 1.529 0.722 9.494 1.00 0.00 C ATOM 652 CG2 VAL A 45 -0.409 0.624 7.922 1.00 0.00 C ATOM 0 H VAL A 45 0.594 -1.439 6.359 1.00 0.00 H new ATOM 0 HA VAL A 45 1.861 1.119 6.777 1.00 0.00 H new ATOM 0 HB VAL A 45 0.846 -1.051 8.548 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.834 0.641 10.330 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.481 0.267 9.768 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.686 1.773 9.253 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.065 0.585 8.792 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.265 1.662 7.622 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.862 0.068 7.101 1.00 0.00 H new ATOM 662 N GLY A 46 4.186 0.759 7.161 1.00 0.00 N ATOM 663 CA GLY A 46 5.635 0.686 7.269 1.00 0.00 C ATOM 664 C GLY A 46 6.293 0.701 5.884 1.00 0.00 C ATOM 665 O GLY A 46 7.509 0.914 5.772 1.00 0.00 O ATOM 0 H GLY A 46 3.851 1.714 7.031 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.002 1.526 7.858 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.918 -0.223 7.800 1.00 0.00 H new ATOM 669 N LYS A 47 5.539 0.433 4.804 1.00 0.00 N ATOM 670 CA LYS A 47 6.115 0.465 3.461 1.00 0.00 C ATOM 671 C LYS A 47 6.282 1.936 3.097 1.00 0.00 C ATOM 672 O LYS A 47 5.720 2.800 3.771 1.00 0.00 O ATOM 673 CB LYS A 47 5.235 -0.237 2.422 1.00 0.00 C ATOM 674 CG LYS A 47 5.003 -1.736 2.667 1.00 0.00 C ATOM 675 CD LYS A 47 4.337 -2.337 1.422 1.00 0.00 C ATOM 676 CE LYS A 47 4.016 -3.830 1.552 1.00 0.00 C ATOM 677 NZ LYS A 47 3.736 -4.454 0.240 1.00 0.00 N ATOM 0 H LYS A 47 4.547 0.196 4.839 1.00 0.00 H new ATOM 0 HA LYS A 47 7.064 -0.071 3.459 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.267 0.264 2.391 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.690 -0.112 1.440 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.949 -2.237 2.869 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.371 -1.883 3.543 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.415 -1.793 1.216 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.992 -2.189 0.564 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.855 -4.341 2.025 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.154 -3.960 2.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.524 -5.463 0.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.920 -3.984 -0.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.567 -4.354 -0.377 1.00 0.00 H new ATOM 691 N LYS A 48 6.991 2.255 2.023 1.00 0.00 N ATOM 692 CA LYS A 48 7.198 3.641 1.621 1.00 0.00 C ATOM 693 C LYS A 48 6.757 3.802 0.188 1.00 0.00 C ATOM 694 O LYS A 48 7.066 2.941 -0.633 1.00 0.00 O ATOM 695 CB LYS A 48 8.676 3.936 1.796 1.00 0.00 C ATOM 696 CG LYS A 48 9.068 5.408 1.798 1.00 0.00 C ATOM 697 CD LYS A 48 10.594 5.570 1.710 1.00 0.00 C ATOM 698 CE LYS A 48 11.417 5.009 2.880 1.00 0.00 C ATOM 699 NZ LYS A 48 11.425 3.531 3.000 1.00 0.00 N ATOM 0 H LYS A 48 7.435 1.570 1.411 1.00 0.00 H new ATOM 0 HA LYS A 48 6.617 4.340 2.223 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.006 3.491 2.735 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.223 3.436 0.997 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.595 5.915 0.957 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.699 5.885 2.706 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.935 5.089 0.793 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.818 6.632 1.615 1.00 0.00 H new ATOM 0 HE2 LYS A 48 12.446 5.354 2.777 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.031 5.430 3.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.393 3.204 3.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.799 3.243 3.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.089 3.109 2.111 1.00 0.00 H new ATOM 713 N VAL A 49 6.017 4.868 -0.097 1.00 0.00 N ATOM 714 CA VAL A 49 5.539 5.127 -1.446 1.00 0.00 C ATOM 715 C VAL A 49 6.717 5.464 -2.367 1.00 0.00 C ATOM 716 O VAL A 49 7.662 6.158 -1.962 1.00 0.00 O ATOM 717 CB VAL A 49 4.454 6.217 -1.440 1.00 0.00 C ATOM 718 CG1 VAL A 49 3.124 5.643 -0.951 1.00 0.00 C ATOM 719 CG2 VAL A 49 4.767 7.442 -0.594 1.00 0.00 C ATOM 0 H VAL A 49 5.736 5.567 0.591 1.00 0.00 H new ATOM 0 HA VAL A 49 5.069 4.227 -1.842 1.00 0.00 H new ATOM 0 HB VAL A 49 4.405 6.549 -2.477 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.367 6.427 -0.953 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.811 4.835 -1.612 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.244 5.257 0.061 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.940 8.149 -0.658 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.908 7.141 0.444 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.678 7.915 -0.961 1.00 0.00 H new ATOM 729 N LEU A 50 6.654 4.965 -3.602 1.00 0.00 N ATOM 730 CA LEU A 50 7.650 5.148 -4.658 1.00 0.00 C ATOM 731 C LEU A 50 7.318 6.332 -5.569 1.00 0.00 C ATOM 732 O LEU A 50 8.194 6.809 -6.294 1.00 0.00 O ATOM 733 CB LEU A 50 7.758 3.858 -5.485 1.00 0.00 C ATOM 734 CG LEU A 50 8.403 2.684 -4.730 1.00 0.00 C ATOM 735 CD1 LEU A 50 8.335 1.421 -5.590 1.00 0.00 C ATOM 736 CD2 LEU A 50 9.867 2.964 -4.368 1.00 0.00 C ATOM 0 H LEU A 50 5.867 4.393 -3.908 1.00 0.00 H new ATOM 0 HA LEU A 50 8.606 5.369 -4.182 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.761 3.563 -5.811 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.340 4.062 -6.384 1.00 0.00 H new ATOM 0 HG LEU A 50 7.846 2.548 -3.803 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.793 0.590 -5.053 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.293 1.184 -5.806 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.870 1.588 -6.525 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.281 2.107 -3.836 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.440 3.137 -5.279 1.00 0.00 H new ATOM 0 HD23 LEU A 50 9.922 3.847 -3.732 1.00 0.00 H new ATOM 748 N VAL A 51 6.091 6.843 -5.505 1.00 0.00 N ATOM 749 CA VAL A 51 5.585 7.977 -6.274 1.00 0.00 C ATOM 750 C VAL A 51 4.576 8.733 -5.404 1.00 0.00 C ATOM 751 O VAL A 51 4.038 8.184 -4.441 1.00 0.00 O ATOM 752 CB VAL A 51 4.923 7.522 -7.599 1.00 0.00 C ATOM 753 CG1 VAL A 51 5.936 6.921 -8.579 1.00 0.00 C ATOM 754 CG2 VAL A 51 3.795 6.502 -7.391 1.00 0.00 C ATOM 0 H VAL A 51 5.384 6.455 -4.880 1.00 0.00 H new ATOM 0 HA VAL A 51 6.418 8.626 -6.544 1.00 0.00 H new ATOM 0 HB VAL A 51 4.500 8.435 -8.019 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.423 6.618 -9.492 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.695 7.665 -8.820 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.411 6.052 -8.124 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.373 6.224 -8.357 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.193 5.614 -6.900 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.016 6.942 -6.768 1.00 0.00 H new ATOM 764 N THR A 52 4.324 9.997 -5.718 1.00 0.00 N ATOM 765 CA THR A 52 3.369 10.840 -5.019 1.00 0.00 C ATOM 766 C THR A 52 1.971 10.320 -5.374 1.00 0.00 C ATOM 767 O THR A 52 1.505 10.518 -6.495 1.00 0.00 O ATOM 768 CB THR A 52 3.599 12.287 -5.472 1.00 0.00 C ATOM 769 OG1 THR A 52 4.944 12.659 -5.193 1.00 0.00 O ATOM 770 CG2 THR A 52 2.633 13.325 -4.891 1.00 0.00 C ATOM 0 H THR A 52 4.792 10.475 -6.488 1.00 0.00 H new ATOM 0 HA THR A 52 3.481 10.814 -3.935 1.00 0.00 H new ATOM 0 HB THR A 52 3.396 12.293 -6.543 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.095 13.583 -5.483 1.00 0.00 H new ATOM 0 HG21 THR A 52 2.885 14.313 -5.277 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.612 13.073 -5.179 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.713 13.328 -3.804 1.00 0.00 H new ATOM 778 N VAL A 53 1.360 9.564 -4.468 1.00 0.00 N ATOM 779 CA VAL A 53 0.035 8.993 -4.623 1.00 0.00 C ATOM 780 C VAL A 53 -0.951 10.112 -4.310 1.00 0.00 C ATOM 781 O VAL A 53 -0.884 10.677 -3.214 1.00 0.00 O ATOM 782 CB VAL A 53 -0.156 7.824 -3.632 1.00 0.00 C ATOM 783 CG1 VAL A 53 -1.503 7.149 -3.833 1.00 0.00 C ATOM 784 CG2 VAL A 53 0.943 6.758 -3.740 1.00 0.00 C ATOM 0 H VAL A 53 1.793 9.326 -3.575 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.115 8.602 -5.629 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.101 8.272 -2.640 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.609 6.330 -3.122 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.301 7.874 -3.673 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.566 6.758 -4.848 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.752 5.964 -3.018 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.947 6.340 -4.747 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.912 7.212 -3.532 1.00 0.00 H new ATOM 794 N GLU A 54 -1.812 10.494 -5.251 1.00 0.00 N ATOM 795 CA GLU A 54 -2.784 11.540 -4.968 1.00 0.00 C ATOM 796 C GLU A 54 -3.860 10.993 -4.030 1.00 0.00 C ATOM 797 O GLU A 54 -3.934 9.798 -3.735 1.00 0.00 O ATOM 798 CB GLU A 54 -3.311 12.167 -6.267 1.00 0.00 C ATOM 799 CG GLU A 54 -2.216 13.098 -6.814 1.00 0.00 C ATOM 800 CD GLU A 54 -2.642 13.810 -8.092 1.00 0.00 C ATOM 801 OE1 GLU A 54 -2.421 13.261 -9.189 1.00 0.00 O ATOM 802 OE2 GLU A 54 -3.121 14.968 -8.024 1.00 0.00 O ATOM 0 H GLU A 54 -1.855 10.105 -6.193 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.314 12.369 -4.439 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.553 11.393 -6.995 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.228 12.725 -6.078 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.962 13.839 -6.056 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.314 12.518 -7.008 1.00 0.00 H new ATOM 809 N GLU A 55 -4.658 11.895 -3.471 1.00 0.00 N ATOM 810 CA GLU A 55 -5.714 11.525 -2.551 1.00 0.00 C ATOM 811 C GLU A 55 -6.709 10.615 -3.258 1.00 0.00 C ATOM 812 O GLU A 55 -7.023 10.821 -4.433 1.00 0.00 O ATOM 813 CB GLU A 55 -6.382 12.810 -2.070 1.00 0.00 C ATOM 814 CG GLU A 55 -7.633 12.596 -1.211 1.00 0.00 C ATOM 815 CD GLU A 55 -8.204 13.933 -0.752 1.00 0.00 C ATOM 816 OE1 GLU A 55 -8.167 14.925 -1.517 1.00 0.00 O ATOM 817 OE2 GLU A 55 -8.674 14.007 0.408 1.00 0.00 O ATOM 0 H GLU A 55 -4.588 12.898 -3.645 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.318 10.979 -1.694 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -5.658 13.388 -1.496 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.652 13.411 -2.939 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.384 12.051 -1.782 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.385 11.983 -0.344 1.00 0.00 H new ATOM 824 N ASP A 56 -7.231 9.648 -2.504 1.00 0.00 N ATOM 825 CA ASP A 56 -8.212 8.654 -2.924 1.00 0.00 C ATOM 826 C ASP A 56 -7.696 7.704 -4.010 1.00 0.00 C ATOM 827 O ASP A 56 -8.449 6.860 -4.493 1.00 0.00 O ATOM 828 CB ASP A 56 -9.522 9.362 -3.289 1.00 0.00 C ATOM 829 CG ASP A 56 -10.718 8.438 -3.151 1.00 0.00 C ATOM 830 OD1 ASP A 56 -11.151 8.201 -1.997 1.00 0.00 O ATOM 831 OD2 ASP A 56 -11.321 8.032 -4.169 1.00 0.00 O ATOM 0 H ASP A 56 -6.963 9.533 -1.527 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.409 7.987 -2.085 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.657 10.231 -2.645 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.463 9.730 -4.313 1.00 0.00 H new ATOM 836 N ASP A 57 -6.422 7.819 -4.400 1.00 0.00 N ATOM 837 CA ASP A 57 -5.819 6.968 -5.417 1.00 0.00 C ATOM 838 C ASP A 57 -5.625 5.561 -4.850 1.00 0.00 C ATOM 839 O ASP A 57 -5.548 5.353 -3.638 1.00 0.00 O ATOM 840 CB ASP A 57 -4.480 7.531 -5.901 1.00 0.00 C ATOM 841 CG ASP A 57 -3.974 6.865 -7.182 1.00 0.00 C ATOM 842 OD1 ASP A 57 -4.742 6.145 -7.869 1.00 0.00 O ATOM 843 OD2 ASP A 57 -2.782 7.052 -7.505 1.00 0.00 O ATOM 0 H ASP A 57 -5.781 8.511 -4.013 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.489 6.932 -6.276 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.585 8.602 -6.073 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.735 7.405 -5.115 1.00 0.00 H new ATOM 848 N THR A 58 -5.581 4.579 -5.730 1.00 0.00 N ATOM 849 CA THR A 58 -5.436 3.182 -5.431 1.00 0.00 C ATOM 850 C THR A 58 -4.024 2.875 -4.957 1.00 0.00 C ATOM 851 O THR A 58 -3.058 3.257 -5.623 1.00 0.00 O ATOM 852 CB THR A 58 -5.757 2.391 -6.706 1.00 0.00 C ATOM 853 OG1 THR A 58 -6.903 2.884 -7.389 1.00 0.00 O ATOM 854 CG2 THR A 58 -5.953 0.934 -6.327 1.00 0.00 C ATOM 0 H THR A 58 -5.651 4.755 -6.732 1.00 0.00 H new ATOM 0 HA THR A 58 -6.118 2.900 -4.629 1.00 0.00 H new ATOM 0 HB THR A 58 -4.922 2.503 -7.397 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.061 2.346 -8.193 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.183 0.353 -7.220 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.041 0.551 -5.870 1.00 0.00 H new ATOM 0 HG23 THR A 58 -6.777 0.850 -5.618 1.00 0.00 H new ATOM 862 N ILE A 59 -3.905 2.227 -3.796 1.00 0.00 N ATOM 863 CA ILE A 59 -2.616 1.837 -3.253 1.00 0.00 C ATOM 864 C ILE A 59 -2.391 0.429 -3.819 1.00 0.00 C ATOM 865 O ILE A 59 -3.325 -0.375 -3.857 1.00 0.00 O ATOM 866 CB ILE A 59 -2.624 1.882 -1.708 1.00 0.00 C ATOM 867 CG1 ILE A 59 -2.820 3.321 -1.175 1.00 0.00 C ATOM 868 CG2 ILE A 59 -1.354 1.251 -1.105 1.00 0.00 C ATOM 869 CD1 ILE A 59 -1.575 4.219 -1.236 1.00 0.00 C ATOM 0 H ILE A 59 -4.699 1.962 -3.214 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.806 2.510 -3.532 1.00 0.00 H new ATOM 0 HB ILE A 59 -3.478 1.285 -1.388 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.619 3.796 -1.745 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.157 3.265 -0.140 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.402 1.304 -0.017 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.284 0.208 -1.414 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.476 1.793 -1.456 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.818 5.205 -0.840 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.777 3.775 -0.641 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.246 4.315 -2.271 1.00 0.00 H new ATOM 881 N MET A 60 -1.173 0.120 -4.272 1.00 0.00 N ATOM 882 CA MET A 60 -0.831 -1.176 -4.862 1.00 0.00 C ATOM 883 C MET A 60 0.566 -1.617 -4.415 1.00 0.00 C ATOM 884 O MET A 60 1.126 -1.030 -3.485 1.00 0.00 O ATOM 885 CB MET A 60 -0.922 -1.078 -6.397 1.00 0.00 C ATOM 886 CG MET A 60 -2.203 -0.400 -6.886 1.00 0.00 C ATOM 887 SD MET A 60 -2.603 -0.566 -8.640 1.00 0.00 S ATOM 888 CE MET A 60 -2.866 -2.354 -8.767 1.00 0.00 C ATOM 0 H MET A 60 -0.388 0.771 -4.239 1.00 0.00 H new ATOM 0 HA MET A 60 -1.538 -1.930 -4.518 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.061 -0.524 -6.770 1.00 0.00 H new ATOM 0 HB3 MET A 60 -0.865 -2.080 -6.822 1.00 0.00 H new ATOM 0 HG2 MET A 60 -3.038 -0.798 -6.309 1.00 0.00 H new ATOM 0 HG3 MET A 60 -2.133 0.663 -6.654 1.00 0.00 H new ATOM 0 HE1 MET A 60 -3.340 -2.585 -9.721 1.00 0.00 H new ATOM 0 HE2 MET A 60 -1.907 -2.868 -8.705 1.00 0.00 H new ATOM 0 HE3 MET A 60 -3.509 -2.686 -7.952 1.00 0.00 H new ATOM 898 N GLU A 61 1.111 -2.684 -5.003 1.00 0.00 N ATOM 899 CA GLU A 61 2.447 -3.195 -4.689 1.00 0.00 C ATOM 900 C GLU A 61 3.471 -2.443 -5.544 1.00 0.00 C ATOM 901 O GLU A 61 4.528 -2.064 -5.056 1.00 0.00 O ATOM 902 CB GLU A 61 2.502 -4.712 -4.926 1.00 0.00 C ATOM 903 CG GLU A 61 3.451 -5.447 -3.970 1.00 0.00 C ATOM 904 CD GLU A 61 4.939 -5.114 -4.136 1.00 0.00 C ATOM 905 OE1 GLU A 61 5.529 -5.445 -5.198 1.00 0.00 O ATOM 906 OE2 GLU A 61 5.557 -4.617 -3.170 1.00 0.00 O ATOM 0 H GLU A 61 0.630 -3.225 -5.721 1.00 0.00 H new ATOM 0 HA GLU A 61 2.683 -3.028 -3.638 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.499 -5.125 -4.818 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.816 -4.900 -5.953 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.157 -5.218 -2.946 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.319 -6.520 -4.107 1.00 0.00 H new ATOM 913 N GLU A 62 3.132 -2.133 -6.796 1.00 0.00 N ATOM 914 CA GLU A 62 3.994 -1.413 -7.732 1.00 0.00 C ATOM 915 C GLU A 62 4.295 0.028 -7.278 1.00 0.00 C ATOM 916 O GLU A 62 5.187 0.685 -7.823 1.00 0.00 O ATOM 917 CB GLU A 62 3.416 -1.494 -9.161 1.00 0.00 C ATOM 918 CG GLU A 62 1.966 -1.013 -9.366 1.00 0.00 C ATOM 919 CD GLU A 62 0.917 -2.134 -9.282 1.00 0.00 C ATOM 920 OE1 GLU A 62 0.893 -2.852 -8.256 1.00 0.00 O ATOM 921 OE2 GLU A 62 0.086 -2.264 -10.212 1.00 0.00 O ATOM 0 H GLU A 62 2.228 -2.382 -7.196 1.00 0.00 H new ATOM 0 HA GLU A 62 4.966 -1.907 -7.744 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.061 -0.911 -9.819 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.477 -2.531 -9.491 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.735 -0.257 -8.616 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.889 -0.530 -10.340 1.00 0.00 H new ATOM 928 N LEU A 63 3.575 0.520 -6.267 1.00 0.00 N ATOM 929 CA LEU A 63 3.719 1.856 -5.697 1.00 0.00 C ATOM 930 C LEU A 63 4.510 1.847 -4.390 1.00 0.00 C ATOM 931 O LEU A 63 4.657 2.914 -3.803 1.00 0.00 O ATOM 932 CB LEU A 63 2.329 2.463 -5.410 1.00 0.00 C ATOM 933 CG LEU A 63 1.382 2.564 -6.620 1.00 0.00 C ATOM 934 CD1 LEU A 63 0.086 3.254 -6.195 1.00 0.00 C ATOM 935 CD2 LEU A 63 1.998 3.342 -7.780 1.00 0.00 C ATOM 0 H LEU A 63 2.847 -0.026 -5.806 1.00 0.00 H new ATOM 0 HA LEU A 63 4.262 2.451 -6.431 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.843 1.863 -4.640 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.467 3.462 -4.996 1.00 0.00 H new ATOM 0 HG LEU A 63 1.188 1.548 -6.965 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.585 3.326 -7.051 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.393 2.674 -5.406 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.311 4.254 -5.825 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.289 3.384 -8.607 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.235 4.355 -7.454 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.910 2.844 -8.108 1.00 0.00 H new ATOM 947 N VAL A 64 5.032 0.719 -3.899 1.00 0.00 N ATOM 948 CA VAL A 64 5.746 0.727 -2.623 1.00 0.00 C ATOM 949 C VAL A 64 7.050 -0.055 -2.628 1.00 0.00 C ATOM 950 O VAL A 64 7.250 -0.962 -3.433 1.00 0.00 O ATOM 951 CB VAL A 64 4.801 0.209 -1.517 1.00 0.00 C ATOM 952 CG1 VAL A 64 3.707 1.224 -1.153 1.00 0.00 C ATOM 953 CG2 VAL A 64 4.128 -1.128 -1.866 1.00 0.00 C ATOM 0 H VAL A 64 4.975 -0.192 -4.355 1.00 0.00 H new ATOM 0 HA VAL A 64 6.039 1.759 -2.430 1.00 0.00 H new ATOM 0 HB VAL A 64 5.455 0.055 -0.659 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.071 0.809 -0.371 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.169 2.144 -0.795 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.104 1.440 -2.035 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.478 -1.433 -1.046 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.536 -1.011 -2.774 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.892 -1.889 -2.026 1.00 0.00 H new ATOM 963 N ASP A 65 7.959 0.324 -1.724 1.00 0.00 N ATOM 964 CA ASP A 65 9.251 -0.340 -1.564 1.00 0.00 C ATOM 965 C ASP A 65 9.055 -1.660 -0.809 1.00 0.00 C ATOM 966 O ASP A 65 7.991 -1.915 -0.233 1.00 0.00 O ATOM 967 CB ASP A 65 10.332 0.575 -0.949 1.00 0.00 C ATOM 968 CG ASP A 65 10.229 1.032 0.519 1.00 0.00 C ATOM 969 OD1 ASP A 65 9.307 0.675 1.291 1.00 0.00 O ATOM 970 OD2 ASP A 65 11.106 1.856 0.885 1.00 0.00 O ATOM 0 H ASP A 65 7.816 1.103 -1.082 1.00 0.00 H new ATOM 0 HA ASP A 65 9.645 -0.575 -2.552 1.00 0.00 H new ATOM 0 HB2 ASP A 65 11.288 0.063 -1.060 1.00 0.00 H new ATOM 0 HB3 ASP A 65 10.379 1.474 -1.563 1.00 0.00 H new