USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 486 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 1 SER N :NH3+ -169:sc=-0.00956 (180deg=-0.13) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 71:sc= 1.04 USER MOD Single : A 8 CYS SG : rot 82:sc= 0.534 USER MOD Single : A 14 LYS NZ :NH3+ 173:sc= 0.956 (180deg=0.91) USER MOD Single : A 17 ASN : amide:sc= 0.598 K(o=0.6,f=-7!) USER MOD Single : A 32 THR OG1 : rot -0:sc= 0.296 USER MOD Single : A 35 GLN : amide:sc= -0.0907 X(o=-0.091,f=-0.11) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.339 USER MOD Single : A 48 SER OG : rot 74:sc= 0.0552 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -171:sc= 0.948 (180deg=0.903) USER MOD Single : A 53 ASN : amide:sc= 0.396 K(o=0.4,f=-6.9!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -133:sc= -0.27 (180deg=-0.412) USER MOD Single : A 65 MET CE :methyl -167:sc=-0.00811 (180deg=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -15.903 0.757 4.313 1.00 0.00 N ATOM 2 CA SER A 1 -14.609 0.205 3.930 1.00 0.00 C ATOM 3 C SER A 1 -13.467 0.968 4.589 1.00 0.00 C ATOM 4 O SER A 1 -12.482 0.374 5.028 1.00 0.00 O ATOM 5 CB SER A 1 -14.458 0.228 2.421 1.00 0.00 C ATOM 6 OG SER A 1 -15.448 -0.529 1.782 1.00 0.00 O ATOM 0 H1 SER A 1 -16.660 0.113 4.006 1.00 0.00 H new ATOM 0 H2 SER A 1 -15.941 0.868 5.346 1.00 0.00 H new ATOM 0 H3 SER A 1 -16.032 1.684 3.861 1.00 0.00 H new ATOM 0 HA SER A 1 -14.565 -0.828 4.276 1.00 0.00 H new ATOM 0 HB2 SER A 1 -14.505 1.258 2.068 1.00 0.00 H new ATOM 0 HB3 SER A 1 -13.475 -0.157 2.149 1.00 0.00 H new ATOM 0 HG SER A 1 -15.317 -0.487 0.812 1.00 0.00 H new ATOM 14 N GLU A 2 -13.606 2.288 4.655 1.00 0.00 N ATOM 15 CA GLU A 2 -12.539 3.146 5.157 1.00 0.00 C ATOM 16 C GLU A 2 -12.181 2.795 6.595 1.00 0.00 C ATOM 17 O GLU A 2 -11.020 2.885 6.996 1.00 0.00 O ATOM 18 CB GLU A 2 -12.945 4.618 5.061 1.00 0.00 C ATOM 19 CG GLU A 2 -13.027 5.155 3.639 1.00 0.00 C ATOM 20 CD GLU A 2 -13.542 6.568 3.618 1.00 0.00 C ATOM 21 OE1 GLU A 2 -13.884 7.071 4.661 1.00 0.00 O ATOM 22 OE2 GLU A 2 -13.490 7.182 2.578 1.00 0.00 O ATOM 0 H GLU A 2 -14.448 2.787 4.367 1.00 0.00 H new ATOM 0 HA GLU A 2 -11.659 2.980 4.536 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -13.915 4.747 5.542 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -12.228 5.218 5.622 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -12.041 5.118 3.177 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -13.682 4.518 3.044 1.00 0.00 H new ATOM 29 N GLU A 3 -13.185 2.396 7.369 1.00 0.00 N ATOM 30 CA GLU A 3 -12.977 2.024 8.764 1.00 0.00 C ATOM 31 C GLU A 3 -12.103 0.783 8.878 1.00 0.00 C ATOM 32 O GLU A 3 -11.269 0.679 9.779 1.00 0.00 O ATOM 33 CB GLU A 3 -14.318 1.788 9.461 1.00 0.00 C ATOM 34 CG GLU A 3 -15.140 3.050 9.687 1.00 0.00 C ATOM 35 CD GLU A 3 -16.490 2.726 10.265 1.00 0.00 C ATOM 36 OE1 GLU A 3 -16.789 1.566 10.411 1.00 0.00 O ATOM 37 OE2 GLU A 3 -17.176 3.637 10.666 1.00 0.00 O ATOM 0 H GLU A 3 -14.152 2.322 7.053 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.463 2.850 9.256 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.905 1.088 8.866 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -14.134 1.311 10.424 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -14.605 3.720 10.360 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -15.264 3.580 8.743 1.00 0.00 H new ATOM 44 N GLU A 4 -12.296 -0.159 7.960 1.00 0.00 N ATOM 45 CA GLU A 4 -11.488 -1.372 7.923 1.00 0.00 C ATOM 46 C GLU A 4 -10.105 -1.094 7.348 1.00 0.00 C ATOM 47 O GLU A 4 -9.116 -1.699 7.765 1.00 0.00 O ATOM 48 CB GLU A 4 -12.189 -2.458 7.105 1.00 0.00 C ATOM 49 CG GLU A 4 -13.462 -2.999 7.740 1.00 0.00 C ATOM 50 CD GLU A 4 -14.126 -4.015 6.852 1.00 0.00 C ATOM 51 OE1 GLU A 4 -13.628 -4.254 5.779 1.00 0.00 O ATOM 52 OE2 GLU A 4 -15.067 -4.633 7.291 1.00 0.00 O ATOM 0 H GLU A 4 -13.007 -0.105 7.230 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.367 -1.724 8.948 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -12.431 -2.056 6.121 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.495 -3.284 6.950 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -13.226 -3.453 8.703 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.151 -2.177 7.935 1.00 0.00 H new ATOM 59 N LEU A 5 -10.041 -0.177 6.389 1.00 0.00 N ATOM 60 CA LEU A 5 -8.782 0.166 5.739 1.00 0.00 C ATOM 61 C LEU A 5 -7.909 1.022 6.646 1.00 0.00 C ATOM 62 O LEU A 5 -6.689 1.066 6.490 1.00 0.00 O ATOM 63 CB LEU A 5 -9.050 0.893 4.416 1.00 0.00 C ATOM 64 CG LEU A 5 -9.723 0.043 3.328 1.00 0.00 C ATOM 65 CD1 LEU A 5 -9.956 0.883 2.080 1.00 0.00 C ATOM 66 CD2 LEU A 5 -8.853 -1.163 3.013 1.00 0.00 C ATOM 0 H LEU A 5 -10.848 0.343 6.044 1.00 0.00 H new ATOM 0 HA LEU A 5 -8.245 -0.760 5.532 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -9.678 1.761 4.617 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.103 1.268 4.028 1.00 0.00 H new ATOM 0 HG LEU A 5 -10.690 -0.309 3.687 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -10.434 0.272 1.314 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -10.601 1.727 2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -9.001 1.252 1.706 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -9.332 -1.765 2.241 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -7.879 -0.826 2.659 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -8.724 -1.764 3.913 1.00 0.00 H new ATOM 78 N SER A 6 -8.540 1.704 7.596 1.00 0.00 N ATOM 79 CA SER A 6 -7.815 2.417 8.640 1.00 0.00 C ATOM 80 C SER A 6 -7.056 1.451 9.542 1.00 0.00 C ATOM 81 O SER A 6 -5.921 1.715 9.936 1.00 0.00 O ATOM 82 CB SER A 6 -8.771 3.262 9.458 1.00 0.00 C ATOM 83 OG SER A 6 -9.323 4.307 8.707 1.00 0.00 O ATOM 0 H SER A 6 -9.555 1.778 7.664 1.00 0.00 H new ATOM 0 HA SER A 6 -7.087 3.071 8.160 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.572 2.632 9.845 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.245 3.673 10.319 1.00 0.00 H new ATOM 0 HG SER A 6 -9.952 3.941 8.050 1.00 0.00 H new ATOM 89 N GLU A 7 -7.691 0.328 9.864 1.00 0.00 N ATOM 90 CA GLU A 7 -7.053 -0.710 10.664 1.00 0.00 C ATOM 91 C GLU A 7 -5.918 -1.378 9.896 1.00 0.00 C ATOM 92 O GLU A 7 -4.838 -1.607 10.441 1.00 0.00 O ATOM 93 CB GLU A 7 -8.080 -1.758 11.100 1.00 0.00 C ATOM 94 CG GLU A 7 -9.096 -1.257 12.116 1.00 0.00 C ATOM 95 CD GLU A 7 -10.154 -2.290 12.386 1.00 0.00 C ATOM 96 OE1 GLU A 7 -10.128 -3.319 11.754 1.00 0.00 O ATOM 97 OE2 GLU A 7 -10.921 -2.100 13.300 1.00 0.00 O ATOM 0 H GLU A 7 -8.648 0.114 9.582 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.632 -0.236 11.551 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.612 -2.117 10.219 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.552 -2.613 11.523 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.588 -1.002 13.046 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.562 -0.344 11.747 1.00 0.00 H new ATOM 104 N CYS A 8 -6.170 -1.687 8.629 1.00 0.00 N ATOM 105 CA CYS A 8 -5.149 -2.266 7.765 1.00 0.00 C ATOM 106 C CYS A 8 -3.987 -1.303 7.563 1.00 0.00 C ATOM 107 O CYS A 8 -2.825 -1.711 7.553 1.00 0.00 O ATOM 108 CB CYS A 8 -5.902 -2.484 6.452 1.00 0.00 C ATOM 109 SG CYS A 8 -7.141 -3.800 6.508 1.00 0.00 S ATOM 0 H CYS A 8 -7.074 -1.546 8.177 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.708 -3.175 8.173 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.392 -1.552 6.170 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.181 -2.714 5.668 1.00 0.00 H new ATOM 0 HG CYS A 8 -8.237 -3.342 7.035 1.00 0.00 H new ATOM 115 N PHE A 9 -4.306 -0.024 7.404 1.00 0.00 N ATOM 116 CA PHE A 9 -3.288 1.002 7.207 1.00 0.00 C ATOM 117 C PHE A 9 -2.343 1.075 8.400 1.00 0.00 C ATOM 118 O PHE A 9 -1.123 1.109 8.236 1.00 0.00 O ATOM 119 CB PHE A 9 -3.941 2.365 6.969 1.00 0.00 C ATOM 120 CG PHE A 9 -2.956 3.481 6.762 1.00 0.00 C ATOM 121 CD1 PHE A 9 -2.314 3.640 5.543 1.00 0.00 C ATOM 122 CD2 PHE A 9 -2.669 4.370 7.785 1.00 0.00 C ATOM 123 CE1 PHE A 9 -1.408 4.667 5.352 1.00 0.00 C ATOM 124 CE2 PHE A 9 -1.765 5.398 7.596 1.00 0.00 C ATOM 125 CZ PHE A 9 -1.134 5.545 6.378 1.00 0.00 C ATOM 0 H PHE A 9 -5.263 0.328 7.408 1.00 0.00 H new ATOM 0 HA PHE A 9 -2.706 0.730 6.327 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -4.590 2.299 6.096 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.576 2.607 7.821 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.524 2.955 4.735 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.158 4.258 8.742 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.915 4.781 4.398 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.553 6.086 8.401 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.426 6.347 6.229 1.00 0.00 H new ATOM 135 N ARG A 10 -2.912 1.098 9.599 1.00 0.00 N ATOM 136 CA ARG A 10 -2.121 1.163 10.822 1.00 0.00 C ATOM 137 C ARG A 10 -1.215 -0.054 10.957 1.00 0.00 C ATOM 138 O ARG A 10 -0.093 0.047 11.452 1.00 0.00 O ATOM 139 CB ARG A 10 -2.988 1.351 12.059 1.00 0.00 C ATOM 140 CG ARG A 10 -3.605 2.733 12.204 1.00 0.00 C ATOM 141 CD ARG A 10 -4.493 2.887 13.384 1.00 0.00 C ATOM 142 NE ARG A 10 -5.060 4.216 13.543 1.00 0.00 N ATOM 143 CZ ARG A 10 -5.923 4.569 14.516 1.00 0.00 C ATOM 144 NH1 ARG A 10 -6.348 3.690 15.395 1.00 0.00 N ATOM 145 NH2 ARG A 10 -6.348 5.820 14.549 1.00 0.00 N ATOM 0 H ARG A 10 -3.920 1.073 9.751 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.487 2.046 10.745 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.789 0.612 12.039 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.385 1.144 12.943 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.805 3.470 12.268 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.175 2.959 11.303 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.307 2.166 13.307 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.929 2.637 14.282 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.785 4.932 12.871 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.025 2.724 15.347 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.001 3.974 16.125 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.022 6.488 13.850 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.002 6.118 15.273 1.00 0.00 H new ATOM 159 N ILE A 11 -1.709 -1.205 10.514 1.00 0.00 N ATOM 160 CA ILE A 11 -0.917 -2.430 10.514 1.00 0.00 C ATOM 161 C ILE A 11 0.181 -2.374 9.462 1.00 0.00 C ATOM 162 O ILE A 11 1.329 -2.733 9.727 1.00 0.00 O ATOM 163 CB ILE A 11 -1.795 -3.670 10.263 1.00 0.00 C ATOM 164 CG1 ILE A 11 -2.739 -3.904 11.445 1.00 0.00 C ATOM 165 CG2 ILE A 11 -0.927 -4.895 10.020 1.00 0.00 C ATOM 166 CD1 ILE A 11 -3.825 -4.918 11.167 1.00 0.00 C ATOM 0 H ILE A 11 -2.655 -1.316 10.150 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.464 -2.513 11.502 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.397 -3.494 9.372 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.156 -4.237 12.304 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.202 -2.957 11.722 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.563 -5.763 9.844 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.295 -4.726 9.148 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.300 -5.076 10.893 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.453 -5.030 12.051 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.434 -4.578 10.329 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.372 -5.878 10.920 1.00 0.00 H new ATOM 178 N PHE A 12 -0.175 -1.924 8.263 1.00 0.00 N ATOM 179 CA PHE A 12 0.721 -2.005 7.115 1.00 0.00 C ATOM 180 C PHE A 12 1.854 -0.992 7.229 1.00 0.00 C ATOM 181 O PHE A 12 2.962 -1.230 6.750 1.00 0.00 O ATOM 182 CB PHE A 12 -0.055 -1.783 5.815 1.00 0.00 C ATOM 183 CG PHE A 12 -1.052 -2.865 5.514 1.00 0.00 C ATOM 184 CD1 PHE A 12 -1.026 -4.066 6.206 1.00 0.00 C ATOM 185 CD2 PHE A 12 -2.021 -2.684 4.537 1.00 0.00 C ATOM 186 CE1 PHE A 12 -1.944 -5.062 5.929 1.00 0.00 C ATOM 187 CE2 PHE A 12 -2.940 -3.676 4.259 1.00 0.00 C ATOM 188 CZ PHE A 12 -2.900 -4.867 4.957 1.00 0.00 C ATOM 0 H PHE A 12 -1.080 -1.499 8.061 1.00 0.00 H new ATOM 0 HA PHE A 12 1.157 -3.004 7.101 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -0.576 -0.827 5.872 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.652 -1.712 4.988 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.280 -4.225 6.970 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.057 -1.755 3.987 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -1.911 -5.993 6.475 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.689 -3.521 3.497 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.618 -5.645 4.741 1.00 0.00 H new ATOM 198 N ASP A 13 1.568 0.139 7.866 1.00 0.00 N ATOM 199 CA ASP A 13 2.567 1.182 8.062 1.00 0.00 C ATOM 200 C ASP A 13 3.544 0.808 9.169 1.00 0.00 C ATOM 201 O ASP A 13 3.400 1.245 10.311 1.00 0.00 O ATOM 202 CB ASP A 13 1.894 2.517 8.384 1.00 0.00 C ATOM 203 CG ASP A 13 2.846 3.702 8.454 1.00 0.00 C ATOM 204 OD1 ASP A 13 4.012 3.518 8.193 1.00 0.00 O ATOM 205 OD2 ASP A 13 2.381 4.806 8.610 1.00 0.00 O ATOM 0 H ASP A 13 0.651 0.356 8.256 1.00 0.00 H new ATOM 0 HA ASP A 13 3.127 1.284 7.133 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.137 2.720 7.627 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.375 2.427 9.338 1.00 0.00 H new ATOM 210 N LYS A 14 4.538 -0.004 8.825 1.00 0.00 N ATOM 211 CA LYS A 14 5.512 -0.479 9.801 1.00 0.00 C ATOM 212 C LYS A 14 6.385 0.661 10.309 1.00 0.00 C ATOM 213 O LYS A 14 6.739 0.708 11.486 1.00 0.00 O ATOM 214 CB LYS A 14 6.385 -1.579 9.195 1.00 0.00 C ATOM 215 CG LYS A 14 5.657 -2.893 8.945 1.00 0.00 C ATOM 216 CD LYS A 14 6.584 -3.932 8.332 1.00 0.00 C ATOM 217 CE LYS A 14 5.858 -5.245 8.079 1.00 0.00 C ATOM 218 NZ LYS A 14 6.736 -6.250 7.421 1.00 0.00 N ATOM 0 H LYS A 14 4.690 -0.347 7.877 1.00 0.00 H new ATOM 0 HA LYS A 14 4.961 -0.890 10.647 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.797 -1.221 8.252 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.228 -1.765 9.861 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.254 -3.272 9.884 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.810 -2.721 8.280 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.989 -3.552 7.394 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.430 -4.105 8.998 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.494 -5.646 9.025 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.985 -5.062 7.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.243 -7.164 7.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.967 -5.932 6.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.613 -6.358 7.970 1.00 0.00 H new ATOM 232 N ASP A 15 6.728 1.581 9.413 1.00 0.00 N ATOM 233 CA ASP A 15 7.534 2.741 9.775 1.00 0.00 C ATOM 234 C ASP A 15 6.800 3.631 10.770 1.00 0.00 C ATOM 235 O ASP A 15 7.400 4.160 11.706 1.00 0.00 O ATOM 236 CB ASP A 15 7.909 3.545 8.529 1.00 0.00 C ATOM 237 CG ASP A 15 8.976 2.893 7.659 1.00 0.00 C ATOM 238 OD1 ASP A 15 9.599 1.963 8.113 1.00 0.00 O ATOM 239 OD2 ASP A 15 9.052 3.225 6.500 1.00 0.00 O ATOM 0 H ASP A 15 6.460 1.545 8.430 1.00 0.00 H new ATOM 0 HA ASP A 15 8.446 2.378 10.248 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.013 3.701 7.928 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.261 4.529 8.838 1.00 0.00 H new ATOM 244 N GLY A 16 5.497 3.793 10.563 1.00 0.00 N ATOM 245 CA GLY A 16 4.672 4.592 11.461 1.00 0.00 C ATOM 246 C GLY A 16 4.782 6.076 11.137 1.00 0.00 C ATOM 247 O GLY A 16 4.555 6.927 11.996 1.00 0.00 O ATOM 0 H GLY A 16 4.990 3.381 9.780 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.632 4.276 11.381 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.980 4.419 12.492 1.00 0.00 H new ATOM 251 N ASN A 17 5.133 6.379 9.892 1.00 0.00 N ATOM 252 CA ASN A 17 5.336 7.760 9.468 1.00 0.00 C ATOM 253 C ASN A 17 4.083 8.324 8.810 1.00 0.00 C ATOM 254 O ASN A 17 4.056 9.483 8.396 1.00 0.00 O ATOM 255 CB ASN A 17 6.523 7.884 8.531 1.00 0.00 C ATOM 256 CG ASN A 17 6.357 7.128 7.242 1.00 0.00 C ATOM 257 OD1 ASN A 17 5.360 6.427 7.033 1.00 0.00 O ATOM 258 ND2 ASN A 17 7.365 7.202 6.410 1.00 0.00 N ATOM 0 H ASN A 17 5.283 5.687 9.158 1.00 0.00 H new ATOM 0 HA ASN A 17 5.548 8.344 10.364 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.688 8.938 8.305 1.00 0.00 H new ATOM 0 HB3 ASN A 17 7.416 7.524 9.041 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.351 6.666 5.542 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.165 7.796 6.629 1.00 0.00 H new ATOM 265 N GLY A 18 3.048 7.497 8.715 1.00 0.00 N ATOM 266 CA GLY A 18 1.775 7.926 8.148 1.00 0.00 C ATOM 267 C GLY A 18 1.764 7.764 6.633 1.00 0.00 C ATOM 268 O GLY A 18 0.871 8.269 5.952 1.00 0.00 O ATOM 0 H GLY A 18 3.066 6.525 9.024 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.964 7.343 8.585 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.592 8.969 8.406 1.00 0.00 H new ATOM 272 N PHE A 19 2.761 7.059 6.111 1.00 0.00 N ATOM 273 CA PHE A 19 2.832 6.772 4.684 1.00 0.00 C ATOM 274 C PHE A 19 3.184 5.312 4.433 1.00 0.00 C ATOM 275 O PHE A 19 3.814 4.662 5.267 1.00 0.00 O ATOM 276 CB PHE A 19 3.854 7.684 4.005 1.00 0.00 C ATOM 277 CG PHE A 19 3.501 9.143 4.068 1.00 0.00 C ATOM 278 CD1 PHE A 19 2.676 9.714 3.111 1.00 0.00 C ATOM 279 CD2 PHE A 19 3.995 9.947 5.085 1.00 0.00 C ATOM 280 CE1 PHE A 19 2.351 11.055 3.167 1.00 0.00 C ATOM 281 CE2 PHE A 19 3.671 11.290 5.144 1.00 0.00 C ATOM 282 CZ PHE A 19 2.849 11.844 4.186 1.00 0.00 C ATOM 0 H PHE A 19 3.533 6.675 6.656 1.00 0.00 H new ATOM 0 HA PHE A 19 1.848 6.963 4.256 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.827 7.535 4.472 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.953 7.389 2.961 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.283 9.103 2.312 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.640 9.519 5.839 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.708 11.487 2.415 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.062 11.905 5.941 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.595 12.893 4.232 1.00 0.00 H new ATOM 292 N ILE A 20 2.774 4.800 3.277 1.00 0.00 N ATOM 293 CA ILE A 20 3.217 3.488 2.819 1.00 0.00 C ATOM 294 C ILE A 20 4.390 3.608 1.856 1.00 0.00 C ATOM 295 O ILE A 20 4.296 4.279 0.828 1.00 0.00 O ATOM 296 CB ILE A 20 2.077 2.715 2.132 1.00 0.00 C ATOM 297 CG1 ILE A 20 0.900 2.533 3.092 1.00 0.00 C ATOM 298 CG2 ILE A 20 2.575 1.367 1.633 1.00 0.00 C ATOM 299 CD1 ILE A 20 1.245 1.753 4.341 1.00 0.00 C ATOM 0 H ILE A 20 2.135 5.275 2.639 1.00 0.00 H new ATOM 0 HA ILE A 20 3.534 2.937 3.704 1.00 0.00 H new ATOM 0 HB ILE A 20 1.734 3.293 1.274 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.524 3.514 3.380 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.092 2.023 2.568 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.757 0.833 1.150 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.382 1.520 0.916 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.944 0.781 2.475 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.360 1.666 4.972 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.593 0.758 4.064 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.031 2.273 4.889 1.00 0.00 H new ATOM 311 N ASP A 21 5.496 2.956 2.193 1.00 0.00 N ATOM 312 CA ASP A 21 6.668 2.932 1.326 1.00 0.00 C ATOM 313 C ASP A 21 6.557 1.832 0.279 1.00 0.00 C ATOM 314 O ASP A 21 5.666 0.985 0.347 1.00 0.00 O ATOM 315 CB ASP A 21 7.944 2.745 2.152 1.00 0.00 C ATOM 316 CG ASP A 21 9.204 3.290 1.495 1.00 0.00 C ATOM 317 OD1 ASP A 21 9.117 3.761 0.385 1.00 0.00 O ATOM 318 OD2 ASP A 21 10.208 3.376 2.161 1.00 0.00 O ATOM 0 H ASP A 21 5.606 2.435 3.063 1.00 0.00 H new ATOM 0 HA ASP A 21 6.718 3.890 0.809 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.812 3.233 3.117 1.00 0.00 H new ATOM 0 HB3 ASP A 21 8.082 1.682 2.349 1.00 0.00 H new ATOM 323 N ARG A 22 7.466 1.850 -0.690 1.00 0.00 N ATOM 324 CA ARG A 22 7.485 0.841 -1.742 1.00 0.00 C ATOM 325 C ARG A 22 7.752 -0.545 -1.171 1.00 0.00 C ATOM 326 O ARG A 22 7.112 -1.522 -1.562 1.00 0.00 O ATOM 327 CB ARG A 22 8.468 1.186 -2.851 1.00 0.00 C ATOM 328 CG ARG A 22 8.449 0.239 -4.040 1.00 0.00 C ATOM 329 CD ARG A 22 9.449 0.555 -5.091 1.00 0.00 C ATOM 330 NE ARG A 22 10.833 0.459 -4.655 1.00 0.00 N ATOM 331 CZ ARG A 22 11.892 0.898 -5.363 1.00 0.00 C ATOM 332 NH1 ARG A 22 11.734 1.428 -6.557 1.00 0.00 N ATOM 333 NH2 ARG A 22 13.096 0.759 -4.838 1.00 0.00 N ATOM 0 H ARG A 22 8.200 2.554 -0.768 1.00 0.00 H new ATOM 0 HA ARG A 22 6.493 0.830 -2.193 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.255 2.195 -3.205 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.475 1.201 -2.433 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.623 -0.776 -3.683 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.454 0.254 -4.485 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.299 -0.121 -5.933 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.266 1.565 -5.457 1.00 0.00 H new ATOM 0 HE ARG A 22 11.015 0.029 -3.748 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.800 1.511 -6.959 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.545 1.756 -7.081 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.205 0.329 -3.920 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.916 1.082 -5.351 1.00 0.00 H new ATOM 347 N GLU A 23 8.701 -0.625 -0.244 1.00 0.00 N ATOM 348 CA GLU A 23 9.029 -1.887 0.409 1.00 0.00 C ATOM 349 C GLU A 23 7.896 -2.350 1.314 1.00 0.00 C ATOM 350 O GLU A 23 7.615 -3.545 1.413 1.00 0.00 O ATOM 351 CB GLU A 23 10.323 -1.752 1.214 1.00 0.00 C ATOM 352 CG GLU A 23 11.579 -1.602 0.366 1.00 0.00 C ATOM 353 CD GLU A 23 12.790 -1.357 1.223 1.00 0.00 C ATOM 354 OE1 GLU A 23 12.638 -1.246 2.415 1.00 0.00 O ATOM 355 OE2 GLU A 23 13.879 -1.394 0.700 1.00 0.00 O ATOM 0 H GLU A 23 9.257 0.170 0.072 1.00 0.00 H new ATOM 0 HA GLU A 23 9.172 -2.637 -0.369 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.238 -0.887 1.872 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.433 -2.629 1.852 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.728 -2.503 -0.229 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.452 -0.775 -0.333 1.00 0.00 H new ATOM 362 N GLU A 24 7.245 -1.398 1.974 1.00 0.00 N ATOM 363 CA GLU A 24 6.076 -1.695 2.794 1.00 0.00 C ATOM 364 C GLU A 24 4.916 -2.191 1.941 1.00 0.00 C ATOM 365 O GLU A 24 4.164 -3.074 2.353 1.00 0.00 O ATOM 366 CB GLU A 24 5.652 -0.458 3.590 1.00 0.00 C ATOM 367 CG GLU A 24 6.625 -0.052 4.687 1.00 0.00 C ATOM 368 CD GLU A 24 6.083 1.087 5.504 1.00 0.00 C ATOM 369 OE1 GLU A 24 5.693 2.075 4.927 1.00 0.00 O ATOM 370 OE2 GLU A 24 5.954 0.930 6.695 1.00 0.00 O ATOM 0 H GLU A 24 7.508 -0.413 1.957 1.00 0.00 H new ATOM 0 HA GLU A 24 6.350 -2.488 3.490 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.531 0.378 2.901 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.676 -0.646 4.038 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.822 -0.906 5.335 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.577 0.237 4.243 1.00 0.00 H new ATOM 377 N PHE A 25 4.778 -1.619 0.750 1.00 0.00 N ATOM 378 CA PHE A 25 3.777 -2.075 -0.208 1.00 0.00 C ATOM 379 C PHE A 25 4.064 -3.499 -0.667 1.00 0.00 C ATOM 380 O PHE A 25 3.150 -4.307 -0.824 1.00 0.00 O ATOM 381 CB PHE A 25 3.722 -1.134 -1.413 1.00 0.00 C ATOM 382 CG PHE A 25 2.810 -1.606 -2.510 1.00 0.00 C ATOM 383 CD1 PHE A 25 1.438 -1.661 -2.314 1.00 0.00 C ATOM 384 CD2 PHE A 25 3.322 -1.998 -3.736 1.00 0.00 C ATOM 385 CE1 PHE A 25 0.598 -2.095 -3.322 1.00 0.00 C ATOM 386 CE2 PHE A 25 2.485 -2.431 -4.746 1.00 0.00 C ATOM 387 CZ PHE A 25 1.122 -2.480 -4.538 1.00 0.00 C ATOM 0 H PHE A 25 5.347 -0.838 0.424 1.00 0.00 H new ATOM 0 HA PHE A 25 2.808 -2.067 0.291 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.394 -0.150 -1.079 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.728 -1.015 -1.816 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.022 -1.361 -1.364 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.388 -1.965 -3.904 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.469 -2.133 -3.157 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.897 -2.731 -5.698 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.466 -2.819 -5.326 1.00 0.00 H new ATOM 397 N GLY A 26 5.340 -3.799 -0.884 1.00 0.00 N ATOM 398 CA GLY A 26 5.766 -5.161 -1.183 1.00 0.00 C ATOM 399 C GLY A 26 5.302 -6.132 -0.107 1.00 0.00 C ATOM 400 O GLY A 26 4.879 -7.249 -0.406 1.00 0.00 O ATOM 0 H GLY A 26 6.098 -3.117 -0.858 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.365 -5.466 -2.149 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.852 -5.196 -1.264 1.00 0.00 H new ATOM 404 N ASP A 27 5.383 -5.702 1.148 1.00 0.00 N ATOM 405 CA ASP A 27 4.897 -6.502 2.266 1.00 0.00 C ATOM 406 C ASP A 27 3.380 -6.623 2.239 1.00 0.00 C ATOM 407 O ASP A 27 2.827 -7.694 2.493 1.00 0.00 O ATOM 408 CB ASP A 27 5.353 -5.898 3.596 1.00 0.00 C ATOM 409 CG ASP A 27 6.834 -6.087 3.898 1.00 0.00 C ATOM 410 OD1 ASP A 27 7.474 -6.830 3.192 1.00 0.00 O ATOM 411 OD2 ASP A 27 7.346 -5.373 4.727 1.00 0.00 O ATOM 0 H ASP A 27 5.781 -4.802 1.416 1.00 0.00 H new ATOM 0 HA ASP A 27 5.320 -7.502 2.168 1.00 0.00 H new ATOM 0 HB2 ASP A 27 5.129 -4.831 3.593 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.770 -6.344 4.402 1.00 0.00 H new ATOM 416 N ILE A 28 2.709 -5.519 1.930 1.00 0.00 N ATOM 417 CA ILE A 28 1.254 -5.509 1.830 1.00 0.00 C ATOM 418 C ILE A 28 0.762 -6.559 0.842 1.00 0.00 C ATOM 419 O ILE A 28 -0.245 -7.225 1.080 1.00 0.00 O ATOM 420 CB ILE A 28 0.727 -4.127 1.402 1.00 0.00 C ATOM 421 CG1 ILE A 28 0.944 -3.102 2.518 1.00 0.00 C ATOM 422 CG2 ILE A 28 -0.746 -4.211 1.031 1.00 0.00 C ATOM 423 CD1 ILE A 28 0.641 -1.679 2.109 1.00 0.00 C ATOM 0 H ILE A 28 3.150 -4.618 1.744 1.00 0.00 H new ATOM 0 HA ILE A 28 0.869 -5.742 2.823 1.00 0.00 H new ATOM 0 HB ILE A 28 1.284 -3.801 0.524 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.316 -3.367 3.369 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.979 -3.160 2.855 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.102 -3.226 0.731 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.874 -4.910 0.205 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.319 -4.557 1.891 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.819 -1.012 2.953 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.287 -1.394 1.279 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.402 -1.603 1.800 1.00 0.00 H new ATOM 435 N ILE A 29 1.479 -6.701 -0.267 1.00 0.00 N ATOM 436 CA ILE A 29 1.145 -7.704 -1.272 1.00 0.00 C ATOM 437 C ILE A 29 1.149 -9.105 -0.674 1.00 0.00 C ATOM 438 O ILE A 29 0.265 -9.913 -0.957 1.00 0.00 O ATOM 439 CB ILE A 29 2.123 -7.660 -2.460 1.00 0.00 C ATOM 440 CG1 ILE A 29 1.959 -6.352 -3.239 1.00 0.00 C ATOM 441 CG2 ILE A 29 1.904 -8.857 -3.372 1.00 0.00 C ATOM 442 CD1 ILE A 29 3.072 -6.085 -4.225 1.00 0.00 C ATOM 0 H ILE A 29 2.296 -6.134 -0.493 1.00 0.00 H new ATOM 0 HA ILE A 29 0.143 -7.469 -1.630 1.00 0.00 H new ATOM 0 HB ILE A 29 3.141 -7.704 -2.073 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.010 -6.376 -3.775 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.906 -5.524 -2.533 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.603 -8.811 -4.207 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.069 -9.777 -2.811 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.883 -8.842 -3.753 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.885 -5.141 -4.738 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.022 -6.028 -3.694 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.113 -6.893 -4.956 1.00 0.00 H new ATOM 454 N ARG A 30 2.149 -9.387 0.155 1.00 0.00 N ATOM 455 CA ARG A 30 2.234 -10.668 0.845 1.00 0.00 C ATOM 456 C ARG A 30 1.168 -10.781 1.928 1.00 0.00 C ATOM 457 O ARG A 30 0.685 -11.873 2.224 1.00 0.00 O ATOM 458 CB ARG A 30 3.625 -10.927 1.404 1.00 0.00 C ATOM 459 CG ARG A 30 4.688 -11.232 0.360 1.00 0.00 C ATOM 460 CD ARG A 30 6.042 -11.479 0.918 1.00 0.00 C ATOM 461 NE ARG A 30 7.045 -11.836 -0.071 1.00 0.00 N ATOM 462 CZ ARG A 30 8.341 -12.078 0.206 1.00 0.00 C ATOM 463 NH1 ARG A 30 8.804 -11.965 1.431 1.00 0.00 N ATOM 464 NH2 ARG A 30 9.142 -12.407 -0.792 1.00 0.00 N ATOM 0 H ARG A 30 2.913 -8.744 0.365 1.00 0.00 H new ATOM 0 HA ARG A 30 2.042 -11.445 0.105 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.939 -10.054 1.977 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.571 -11.763 2.101 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.378 -12.107 -0.211 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.743 -10.398 -0.339 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.373 -10.584 1.446 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.977 -12.279 1.656 1.00 0.00 H new ATOM 0 HE ARG A 30 6.747 -11.908 -1.044 1.00 0.00 H new ATOM 0 HH11 ARG A 30 8.179 -11.690 2.189 1.00 0.00 H new ATOM 0 HH12 ARG A 30 9.788 -12.152 1.624 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.774 -12.472 -1.741 1.00 0.00 H new ATOM 0 HH22 ARG A 30 10.128 -12.596 -0.613 1.00 0.00 H new ATOM 478 N LEU A 31 0.805 -9.645 2.515 1.00 0.00 N ATOM 479 CA LEU A 31 -0.194 -9.617 3.576 1.00 0.00 C ATOM 480 C LEU A 31 -1.599 -9.805 3.016 1.00 0.00 C ATOM 481 O LEU A 31 -2.502 -10.257 3.718 1.00 0.00 O ATOM 482 CB LEU A 31 -0.102 -8.300 4.355 1.00 0.00 C ATOM 483 CG LEU A 31 1.183 -8.113 5.173 1.00 0.00 C ATOM 484 CD1 LEU A 31 1.234 -6.705 5.750 1.00 0.00 C ATOM 485 CD2 LEU A 31 1.236 -9.154 6.282 1.00 0.00 C ATOM 0 H LEU A 31 1.188 -8.731 2.273 1.00 0.00 H new ATOM 0 HA LEU A 31 0.010 -10.445 4.255 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.189 -7.473 3.650 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.956 -8.235 5.030 1.00 0.00 H new ATOM 0 HG LEU A 31 2.050 -8.247 4.525 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.149 -6.582 6.329 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.218 -5.978 4.938 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.371 -6.545 6.397 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.149 -9.021 6.863 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.371 -9.035 6.934 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.227 -10.152 5.845 1.00 0.00 H new ATOM 497 N THR A 32 -1.776 -9.453 1.746 1.00 0.00 N ATOM 498 CA THR A 32 -3.049 -9.657 1.066 1.00 0.00 C ATOM 499 C THR A 32 -3.065 -10.983 0.315 1.00 0.00 C ATOM 500 O THR A 32 -4.124 -11.472 -0.077 1.00 0.00 O ATOM 501 CB THR A 32 -3.351 -8.515 0.078 1.00 0.00 C ATOM 502 OG1 THR A 32 -2.297 -8.425 -0.889 1.00 0.00 O ATOM 503 CG2 THR A 32 -3.472 -7.191 0.815 1.00 0.00 C ATOM 0 H THR A 32 -1.053 -9.025 1.168 1.00 0.00 H new ATOM 0 HA THR A 32 -3.819 -9.670 1.837 1.00 0.00 H new ATOM 0 HB THR A 32 -4.295 -8.728 -0.423 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.619 -9.107 -0.698 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.685 -6.395 0.101 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.281 -7.252 1.543 1.00 0.00 H new ATOM 0 HG23 THR A 32 -2.536 -6.975 1.330 1.00 0.00 H new ATOM 511 N GLY A 33 -1.884 -11.560 0.117 1.00 0.00 N ATOM 512 CA GLY A 33 -1.771 -12.901 -0.441 1.00 0.00 C ATOM 513 C GLY A 33 -1.869 -12.875 -1.961 1.00 0.00 C ATOM 514 O GLY A 33 -2.427 -13.787 -2.572 1.00 0.00 O ATOM 0 H GLY A 33 -0.991 -11.118 0.335 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.820 -13.343 -0.143 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.559 -13.535 -0.034 1.00 0.00 H new ATOM 518 N GLU A 34 -1.324 -11.826 -2.566 1.00 0.00 N ATOM 519 CA GLU A 34 -1.332 -11.689 -4.017 1.00 0.00 C ATOM 520 C GLU A 34 0.027 -12.040 -4.611 1.00 0.00 C ATOM 521 O GLU A 34 1.062 -11.856 -3.970 1.00 0.00 O ATOM 522 CB GLU A 34 -1.729 -10.267 -4.419 1.00 0.00 C ATOM 523 CG GLU A 34 -3.132 -9.862 -3.992 1.00 0.00 C ATOM 524 CD GLU A 34 -4.166 -10.799 -4.553 1.00 0.00 C ATOM 525 OE1 GLU A 34 -4.190 -10.980 -5.747 1.00 0.00 O ATOM 526 OE2 GLU A 34 -4.859 -11.419 -3.782 1.00 0.00 O ATOM 0 H GLU A 34 -0.870 -11.057 -2.073 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.069 -12.388 -4.413 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.014 -9.567 -3.986 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.651 -10.173 -5.502 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.196 -9.856 -2.904 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.338 -8.846 -4.329 1.00 0.00 H new ATOM 533 N GLN A 35 0.017 -12.547 -5.839 1.00 0.00 N ATOM 534 CA GLN A 35 1.250 -12.899 -6.533 1.00 0.00 C ATOM 535 C GLN A 35 1.654 -11.815 -7.523 1.00 0.00 C ATOM 536 O GLN A 35 1.120 -11.741 -8.630 1.00 0.00 O ATOM 537 CB GLN A 35 1.091 -14.234 -7.265 1.00 0.00 C ATOM 538 CG GLN A 35 0.820 -15.417 -6.350 1.00 0.00 C ATOM 539 CD GLN A 35 1.970 -15.689 -5.401 1.00 0.00 C ATOM 540 OE1 GLN A 35 3.125 -15.811 -5.820 1.00 0.00 O ATOM 541 NE2 GLN A 35 1.662 -15.792 -4.112 1.00 0.00 N ATOM 0 H GLN A 35 -0.833 -12.724 -6.375 1.00 0.00 H new ATOM 0 HA GLN A 35 2.036 -12.992 -5.784 1.00 0.00 H new ATOM 0 HB2 GLN A 35 0.274 -14.148 -7.981 1.00 0.00 H new ATOM 0 HB3 GLN A 35 1.997 -14.432 -7.838 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.086 -15.227 -5.774 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.633 -16.305 -6.954 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.694 -15.684 -3.809 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.394 -15.979 -3.426 1.00 0.00 H new ATOM 550 N LEU A 36 2.600 -10.974 -7.120 1.00 0.00 N ATOM 551 CA LEU A 36 3.055 -9.871 -7.958 1.00 0.00 C ATOM 552 C LEU A 36 4.576 -9.842 -8.052 1.00 0.00 C ATOM 553 O LEU A 36 5.272 -10.252 -7.124 1.00 0.00 O ATOM 554 CB LEU A 36 2.527 -8.538 -7.414 1.00 0.00 C ATOM 555 CG LEU A 36 1.005 -8.367 -7.471 1.00 0.00 C ATOM 556 CD1 LEU A 36 0.595 -7.096 -6.741 1.00 0.00 C ATOM 557 CD2 LEU A 36 0.551 -8.324 -8.923 1.00 0.00 C ATOM 0 H LEU A 36 3.068 -11.036 -6.216 1.00 0.00 H new ATOM 0 HA LEU A 36 2.660 -10.024 -8.962 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.850 -8.433 -6.378 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.989 -7.726 -7.976 1.00 0.00 H new ATOM 0 HG LEU A 36 0.526 -9.213 -6.979 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.488 -6.983 -6.787 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.909 -7.157 -5.699 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.070 -6.236 -7.213 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.531 -8.202 -8.962 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.029 -7.485 -9.429 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.830 -9.254 -9.419 1.00 0.00 H new ATOM 569 N THR A 37 5.084 -9.354 -9.178 1.00 0.00 N ATOM 570 CA THR A 37 6.522 -9.328 -9.421 1.00 0.00 C ATOM 571 C THR A 37 7.161 -8.087 -8.812 1.00 0.00 C ATOM 572 O THR A 37 6.466 -7.182 -8.350 1.00 0.00 O ATOM 573 CB THR A 37 6.841 -9.370 -10.928 1.00 0.00 C ATOM 574 OG1 THR A 37 6.400 -8.154 -11.547 1.00 0.00 O ATOM 575 CG2 THR A 37 6.146 -10.551 -11.587 1.00 0.00 C ATOM 0 H THR A 37 4.521 -8.971 -9.938 1.00 0.00 H new ATOM 0 HA THR A 37 6.937 -10.217 -8.946 1.00 0.00 H new ATOM 0 HB THR A 37 7.918 -9.479 -11.053 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.605 -8.182 -12.505 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.382 -10.565 -12.651 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.489 -11.478 -11.127 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.068 -10.458 -11.456 1.00 0.00 H new ATOM 583 N ASP A 38 8.489 -8.051 -8.813 1.00 0.00 N ATOM 584 CA ASP A 38 9.224 -6.881 -8.348 1.00 0.00 C ATOM 585 C ASP A 38 8.901 -5.655 -9.193 1.00 0.00 C ATOM 586 O ASP A 38 8.852 -4.535 -8.685 1.00 0.00 O ATOM 587 CB ASP A 38 10.731 -7.151 -8.368 1.00 0.00 C ATOM 588 CG ASP A 38 11.216 -8.095 -7.276 1.00 0.00 C ATOM 589 OD1 ASP A 38 10.461 -8.364 -6.372 1.00 0.00 O ATOM 590 OD2 ASP A 38 12.271 -8.661 -7.434 1.00 0.00 O ATOM 0 H ASP A 38 9.079 -8.820 -9.131 1.00 0.00 H new ATOM 0 HA ASP A 38 8.914 -6.680 -7.323 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.000 -7.569 -9.338 1.00 0.00 H new ATOM 0 HB3 ASP A 38 11.259 -6.202 -8.272 1.00 0.00 H new ATOM 595 N GLU A 39 8.679 -5.875 -10.484 1.00 0.00 N ATOM 596 CA GLU A 39 8.271 -4.804 -11.385 1.00 0.00 C ATOM 597 C GLU A 39 6.851 -4.341 -11.082 1.00 0.00 C ATOM 598 O GLU A 39 6.540 -3.155 -11.184 1.00 0.00 O ATOM 599 CB GLU A 39 8.376 -5.259 -12.842 1.00 0.00 C ATOM 600 CG GLU A 39 9.801 -5.447 -13.341 1.00 0.00 C ATOM 601 CD GLU A 39 9.823 -5.996 -14.740 1.00 0.00 C ATOM 602 OE1 GLU A 39 8.772 -6.276 -15.264 1.00 0.00 O ATOM 603 OE2 GLU A 39 10.878 -6.030 -15.327 1.00 0.00 O ATOM 0 H GLU A 39 8.775 -6.787 -10.931 1.00 0.00 H new ATOM 0 HA GLU A 39 8.945 -3.962 -11.228 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.837 -6.200 -12.956 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.876 -4.526 -13.476 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.326 -4.492 -13.315 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.336 -6.124 -12.674 1.00 0.00 H new ATOM 610 N ASP A 40 5.994 -5.286 -10.708 1.00 0.00 N ATOM 611 CA ASP A 40 4.634 -4.965 -10.294 1.00 0.00 C ATOM 612 C ASP A 40 4.630 -4.087 -9.049 1.00 0.00 C ATOM 613 O ASP A 40 3.831 -3.157 -8.934 1.00 0.00 O ATOM 614 CB ASP A 40 3.835 -6.245 -10.037 1.00 0.00 C ATOM 615 CG ASP A 40 3.485 -7.030 -11.293 1.00 0.00 C ATOM 616 OD1 ASP A 40 3.570 -6.474 -12.362 1.00 0.00 O ATOM 617 OD2 ASP A 40 3.289 -8.218 -11.192 1.00 0.00 O ATOM 0 H ASP A 40 6.218 -6.281 -10.683 1.00 0.00 H new ATOM 0 HA ASP A 40 4.162 -4.410 -11.104 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.408 -6.888 -9.369 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.913 -5.985 -9.517 1.00 0.00 H new ATOM 622 N VAL A 41 5.528 -4.388 -8.117 1.00 0.00 N ATOM 623 CA VAL A 41 5.645 -3.613 -6.887 1.00 0.00 C ATOM 624 C VAL A 41 5.877 -2.138 -7.187 1.00 0.00 C ATOM 625 O VAL A 41 5.136 -1.275 -6.715 1.00 0.00 O ATOM 626 CB VAL A 41 6.791 -4.132 -5.999 1.00 0.00 C ATOM 627 CG1 VAL A 41 7.030 -3.187 -4.831 1.00 0.00 C ATOM 628 CG2 VAL A 41 6.481 -5.533 -5.493 1.00 0.00 C ATOM 0 H VAL A 41 6.186 -5.164 -8.190 1.00 0.00 H new ATOM 0 HA VAL A 41 4.703 -3.729 -6.352 1.00 0.00 H new ATOM 0 HB VAL A 41 7.699 -4.175 -6.600 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.843 -3.569 -4.214 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.295 -2.200 -5.210 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.123 -3.114 -4.231 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.302 -5.884 -4.867 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.561 -5.513 -4.908 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.357 -6.207 -6.341 1.00 0.00 H new ATOM 638 N ASP A 42 6.909 -1.853 -7.973 1.00 0.00 N ATOM 639 CA ASP A 42 7.296 -0.477 -8.262 1.00 0.00 C ATOM 640 C ASP A 42 6.266 0.210 -9.149 1.00 0.00 C ATOM 641 O ASP A 42 5.903 1.363 -8.916 1.00 0.00 O ATOM 642 CB ASP A 42 8.674 -0.436 -8.927 1.00 0.00 C ATOM 643 CG ASP A 42 9.214 0.967 -9.170 1.00 0.00 C ATOM 644 OD1 ASP A 42 9.398 1.684 -8.215 1.00 0.00 O ATOM 645 OD2 ASP A 42 9.584 1.256 -10.282 1.00 0.00 O ATOM 0 H ASP A 42 7.494 -2.558 -8.422 1.00 0.00 H new ATOM 0 HA ASP A 42 7.344 0.061 -7.315 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.382 -0.981 -8.303 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.620 -0.961 -9.880 1.00 0.00 H new ATOM 650 N GLU A 43 5.798 -0.505 -10.166 1.00 0.00 N ATOM 651 CA GLU A 43 4.864 0.060 -11.133 1.00 0.00 C ATOM 652 C GLU A 43 3.538 0.418 -10.475 1.00 0.00 C ATOM 653 O GLU A 43 3.035 1.531 -10.636 1.00 0.00 O ATOM 654 CB GLU A 43 4.631 -0.918 -12.287 1.00 0.00 C ATOM 655 CG GLU A 43 3.710 -0.394 -13.380 1.00 0.00 C ATOM 656 CD GLU A 43 3.581 -1.383 -14.506 1.00 0.00 C ATOM 657 OE1 GLU A 43 4.192 -2.421 -14.432 1.00 0.00 O ATOM 658 OE2 GLU A 43 2.785 -1.150 -15.385 1.00 0.00 O ATOM 0 H GLU A 43 6.050 -1.477 -10.342 1.00 0.00 H new ATOM 0 HA GLU A 43 5.306 0.975 -11.527 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.593 -1.173 -12.731 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.211 -1.840 -11.886 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.726 -0.187 -12.961 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.098 0.549 -13.764 1.00 0.00 H new ATOM 665 N ILE A 44 2.976 -0.529 -9.733 1.00 0.00 N ATOM 666 CA ILE A 44 1.703 -0.318 -9.056 1.00 0.00 C ATOM 667 C ILE A 44 1.832 0.719 -7.948 1.00 0.00 C ATOM 668 O ILE A 44 0.947 1.553 -7.759 1.00 0.00 O ATOM 669 CB ILE A 44 1.156 -1.628 -8.459 1.00 0.00 C ATOM 670 CG1 ILE A 44 0.792 -2.612 -9.573 1.00 0.00 C ATOM 671 CG2 ILE A 44 -0.051 -1.347 -7.577 1.00 0.00 C ATOM 672 CD1 ILE A 44 0.503 -4.012 -9.082 1.00 0.00 C ATOM 0 H ILE A 44 3.383 -1.452 -9.585 1.00 0.00 H new ATOM 0 HA ILE A 44 1.005 0.046 -9.809 1.00 0.00 H new ATOM 0 HB ILE A 44 1.934 -2.079 -7.843 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.082 -2.236 -10.105 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.610 -2.651 -10.292 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.425 -2.283 -7.163 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.239 -0.681 -6.764 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.833 -0.875 -8.171 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.253 -4.650 -9.929 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.383 -4.409 -8.576 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.336 -3.988 -8.386 1.00 0.00 H new ATOM 684 N PHE A 45 2.941 0.662 -7.218 1.00 0.00 N ATOM 685 CA PHE A 45 3.240 1.661 -6.199 1.00 0.00 C ATOM 686 C PHE A 45 3.214 3.068 -6.782 1.00 0.00 C ATOM 687 O PHE A 45 2.594 3.971 -6.221 1.00 0.00 O ATOM 688 CB PHE A 45 4.601 1.381 -5.560 1.00 0.00 C ATOM 689 CG PHE A 45 5.021 2.415 -4.554 1.00 0.00 C ATOM 690 CD1 PHE A 45 4.572 2.351 -3.243 1.00 0.00 C ATOM 691 CD2 PHE A 45 5.868 3.452 -4.916 1.00 0.00 C ATOM 692 CE1 PHE A 45 4.957 3.302 -2.317 1.00 0.00 C ATOM 693 CE2 PHE A 45 6.256 4.402 -3.992 1.00 0.00 C ATOM 694 CZ PHE A 45 5.800 4.327 -2.691 1.00 0.00 C ATOM 0 H PHE A 45 3.648 -0.067 -7.314 1.00 0.00 H new ATOM 0 HA PHE A 45 2.468 1.597 -5.432 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.570 0.406 -5.074 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.356 1.323 -6.344 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.914 1.549 -2.943 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.228 3.517 -5.932 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.598 3.242 -1.300 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.916 5.204 -4.287 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.103 5.070 -1.968 1.00 0.00 H new ATOM 704 N GLY A 46 3.891 3.247 -7.912 1.00 0.00 N ATOM 705 CA GLY A 46 3.949 4.545 -8.573 1.00 0.00 C ATOM 706 C GLY A 46 2.573 4.972 -9.071 1.00 0.00 C ATOM 707 O GLY A 46 2.243 6.157 -9.073 1.00 0.00 O ATOM 0 H GLY A 46 4.408 2.508 -8.389 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.336 5.292 -7.880 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.644 4.498 -9.412 1.00 0.00 H new ATOM 711 N ASP A 47 1.776 3.997 -9.494 1.00 0.00 N ATOM 712 CA ASP A 47 0.411 4.261 -9.937 1.00 0.00 C ATOM 713 C ASP A 47 -0.469 4.702 -8.775 1.00 0.00 C ATOM 714 O ASP A 47 -1.369 5.526 -8.943 1.00 0.00 O ATOM 715 CB ASP A 47 -0.185 3.022 -10.608 1.00 0.00 C ATOM 716 CG ASP A 47 0.369 2.731 -11.997 1.00 0.00 C ATOM 717 OD1 ASP A 47 1.020 3.587 -12.546 1.00 0.00 O ATOM 718 OD2 ASP A 47 0.272 1.607 -12.429 1.00 0.00 O ATOM 0 H ASP A 47 2.051 3.016 -9.540 1.00 0.00 H new ATOM 0 HA ASP A 47 0.448 5.072 -10.664 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.006 2.157 -9.970 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.265 3.147 -10.680 1.00 0.00 H new ATOM 723 N SER A 48 -0.206 4.148 -7.596 1.00 0.00 N ATOM 724 CA SER A 48 -0.938 4.524 -6.393 1.00 0.00 C ATOM 725 C SER A 48 -0.412 5.830 -5.813 1.00 0.00 C ATOM 726 O SER A 48 -1.138 6.558 -5.137 1.00 0.00 O ATOM 727 CB SER A 48 -0.851 3.415 -5.361 1.00 0.00 C ATOM 728 OG SER A 48 -1.456 2.233 -5.808 1.00 0.00 O ATOM 0 H SER A 48 0.510 3.436 -7.448 1.00 0.00 H new ATOM 0 HA SER A 48 -1.983 4.675 -6.665 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.195 3.220 -5.126 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.330 3.741 -4.438 1.00 0.00 H new ATOM 0 HG SER A 48 -0.884 1.807 -6.480 1.00 0.00 H new ATOM 734 N ASP A 49 0.857 6.123 -6.082 1.00 0.00 N ATOM 735 CA ASP A 49 1.462 7.376 -5.649 1.00 0.00 C ATOM 736 C ASP A 49 1.018 8.537 -6.529 1.00 0.00 C ATOM 737 O ASP A 49 1.767 8.998 -7.391 1.00 0.00 O ATOM 738 CB ASP A 49 2.989 7.265 -5.657 1.00 0.00 C ATOM 739 CG ASP A 49 3.711 8.486 -5.105 1.00 0.00 C ATOM 740 OD1 ASP A 49 3.050 9.389 -4.652 1.00 0.00 O ATOM 741 OD2 ASP A 49 4.914 8.442 -4.998 1.00 0.00 O ATOM 0 H ASP A 49 1.486 5.508 -6.598 1.00 0.00 H new ATOM 0 HA ASP A 49 1.126 7.573 -4.631 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.281 6.391 -5.074 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.323 7.092 -6.680 1.00 0.00 H new ATOM 746 N THR A 50 -0.206 9.005 -6.309 1.00 0.00 N ATOM 747 CA THR A 50 -0.785 10.056 -7.137 1.00 0.00 C ATOM 748 C THR A 50 0.034 11.338 -7.052 1.00 0.00 C ATOM 749 O THR A 50 0.236 12.025 -8.053 1.00 0.00 O ATOM 750 CB THR A 50 -2.239 10.359 -6.731 1.00 0.00 C ATOM 751 OG1 THR A 50 -3.045 9.189 -6.921 1.00 0.00 O ATOM 752 CG2 THR A 50 -2.799 11.498 -7.568 1.00 0.00 C ATOM 0 H THR A 50 -0.817 8.672 -5.563 1.00 0.00 H new ATOM 0 HA THR A 50 -0.774 9.689 -8.163 1.00 0.00 H new ATOM 0 HB THR A 50 -2.254 10.652 -5.681 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.970 9.383 -6.661 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.827 11.699 -7.268 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.195 12.393 -7.415 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.776 11.220 -8.622 1.00 0.00 H new ATOM 760 N ASP A 51 0.502 11.657 -5.849 1.00 0.00 N ATOM 761 CA ASP A 51 1.283 12.867 -5.627 1.00 0.00 C ATOM 762 C ASP A 51 2.677 12.741 -6.230 1.00 0.00 C ATOM 763 O ASP A 51 3.383 13.735 -6.400 1.00 0.00 O ATOM 764 CB ASP A 51 1.383 13.174 -4.132 1.00 0.00 C ATOM 765 CG ASP A 51 0.099 13.709 -3.512 1.00 0.00 C ATOM 766 OD1 ASP A 51 -0.784 14.079 -4.250 1.00 0.00 O ATOM 767 OD2 ASP A 51 -0.053 13.598 -2.319 1.00 0.00 O ATOM 0 H ASP A 51 0.353 11.093 -5.012 1.00 0.00 H new ATOM 0 HA ASP A 51 0.770 13.690 -6.123 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.675 12.265 -3.606 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.179 13.902 -3.976 1.00 0.00 H new ATOM 772 N LYS A 52 3.069 11.512 -6.550 1.00 0.00 N ATOM 773 CA LYS A 52 4.394 11.248 -7.097 1.00 0.00 C ATOM 774 C LYS A 52 5.486 11.793 -6.184 1.00 0.00 C ATOM 775 O LYS A 52 6.465 12.376 -6.650 1.00 0.00 O ATOM 776 CB LYS A 52 4.527 11.855 -8.495 1.00 0.00 C ATOM 777 CG LYS A 52 3.487 11.368 -9.494 1.00 0.00 C ATOM 778 CD LYS A 52 3.713 9.908 -9.861 1.00 0.00 C ATOM 779 CE LYS A 52 2.698 9.431 -10.890 1.00 0.00 C ATOM 780 NZ LYS A 52 2.873 7.990 -11.217 1.00 0.00 N ATOM 0 H LYS A 52 2.486 10.682 -6.439 1.00 0.00 H new ATOM 0 HA LYS A 52 4.516 10.167 -7.167 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.456 12.940 -8.415 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.520 11.628 -8.883 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.489 11.489 -9.072 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.529 11.982 -10.394 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.721 9.782 -10.256 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.643 9.291 -8.965 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.690 9.597 -10.509 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.797 10.024 -11.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.269 7.742 -12.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.868 7.807 -11.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.605 7.412 -10.395 1.00 0.00 H new ATOM 794 N ASN A 53 5.310 11.600 -4.881 1.00 0.00 N ATOM 795 CA ASN A 53 6.231 12.152 -3.895 1.00 0.00 C ATOM 796 C ASN A 53 7.123 11.066 -3.305 1.00 0.00 C ATOM 797 O ASN A 53 7.929 11.328 -2.413 1.00 0.00 O ATOM 798 CB ASN A 53 5.489 12.879 -2.788 1.00 0.00 C ATOM 799 CG ASN A 53 4.621 11.981 -1.950 1.00 0.00 C ATOM 800 OD1 ASN A 53 4.494 10.781 -2.217 1.00 0.00 O ATOM 801 ND2 ASN A 53 3.959 12.573 -0.989 1.00 0.00 N ATOM 0 H ASN A 53 4.538 11.065 -4.484 1.00 0.00 H new ATOM 0 HA ASN A 53 6.862 12.874 -4.414 1.00 0.00 H new ATOM 0 HB2 ASN A 53 6.214 13.375 -2.142 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.869 13.659 -3.230 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.301 12.040 -0.419 1.00 0.00 H new ATOM 0 HD22 ASN A 53 4.101 13.567 -0.809 1.00 0.00 H new ATOM 808 N GLY A 54 6.973 9.846 -3.810 1.00 0.00 N ATOM 809 CA GLY A 54 7.808 8.731 -3.379 1.00 0.00 C ATOM 810 C GLY A 54 7.126 7.924 -2.281 1.00 0.00 C ATOM 811 O GLY A 54 7.652 6.907 -1.828 1.00 0.00 O ATOM 0 H GLY A 54 6.280 9.604 -4.519 1.00 0.00 H new ATOM 0 HA2 GLY A 54 8.023 8.084 -4.230 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.764 9.108 -3.016 1.00 0.00 H new ATOM 815 N ARG A 55 5.953 8.381 -1.859 1.00 0.00 N ATOM 816 CA ARG A 55 5.205 7.711 -0.803 1.00 0.00 C ATOM 817 C ARG A 55 3.720 7.642 -1.138 1.00 0.00 C ATOM 818 O ARG A 55 3.206 8.467 -1.894 1.00 0.00 O ATOM 819 CB ARG A 55 5.439 8.346 0.560 1.00 0.00 C ATOM 820 CG ARG A 55 6.873 8.274 1.060 1.00 0.00 C ATOM 821 CD ARG A 55 7.325 6.909 1.427 1.00 0.00 C ATOM 822 NE ARG A 55 8.637 6.856 2.051 1.00 0.00 N ATOM 823 CZ ARG A 55 9.804 6.827 1.379 1.00 0.00 C ATOM 824 NH1 ARG A 55 9.828 6.807 0.065 1.00 0.00 N ATOM 825 NH2 ARG A 55 10.926 6.794 2.077 1.00 0.00 N ATOM 0 H ARG A 55 5.499 9.214 -2.233 1.00 0.00 H new ATOM 0 HA ARG A 55 5.582 6.690 -0.743 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.137 9.392 0.514 1.00 0.00 H new ATOM 0 HB3 ARG A 55 4.790 7.859 1.288 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.534 8.668 0.288 1.00 0.00 H new ATOM 0 HG3 ARG A 55 6.975 8.924 1.929 1.00 0.00 H new ATOM 0 HD2 ARG A 55 6.595 6.469 2.107 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.338 6.291 0.529 1.00 0.00 H new ATOM 0 HE ARG A 55 8.677 6.840 3.070 1.00 0.00 H new ATOM 0 HH11 ARG A 55 8.954 6.813 -0.461 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.720 6.785 -0.429 1.00 0.00 H new ATOM 0 HH21 ARG A 55 10.893 6.791 3.096 1.00 0.00 H new ATOM 0 HH22 ARG A 55 11.825 6.771 1.596 1.00 0.00 H new ATOM 839 N ILE A 56 3.036 6.655 -0.572 1.00 0.00 N ATOM 840 CA ILE A 56 1.585 6.563 -0.687 1.00 0.00 C ATOM 841 C ILE A 56 0.899 7.083 0.570 1.00 0.00 C ATOM 842 O ILE A 56 1.128 6.577 1.668 1.00 0.00 O ATOM 843 CB ILE A 56 1.129 5.116 -0.948 1.00 0.00 C ATOM 844 CG1 ILE A 56 1.662 4.623 -2.295 1.00 0.00 C ATOM 845 CG2 ILE A 56 -0.388 5.021 -0.905 1.00 0.00 C ATOM 846 CD1 ILE A 56 1.412 3.154 -2.551 1.00 0.00 C ATOM 0 H ILE A 56 3.463 5.906 -0.028 1.00 0.00 H new ATOM 0 HA ILE A 56 1.298 7.183 -1.537 1.00 0.00 H new ATOM 0 HB ILE A 56 1.535 4.478 -0.163 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.200 5.205 -3.093 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.734 4.813 -2.342 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.694 3.991 -1.091 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.744 5.333 0.077 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.815 5.670 -1.669 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.818 2.880 -3.525 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.898 2.562 -1.775 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.340 2.960 -2.538 1.00 0.00 H new ATOM 858 N ASP A 57 0.056 8.097 0.401 1.00 0.00 N ATOM 859 CA ASP A 57 -0.664 8.688 1.522 1.00 0.00 C ATOM 860 C ASP A 57 -1.850 7.824 1.932 1.00 0.00 C ATOM 861 O ASP A 57 -2.162 6.830 1.277 1.00 0.00 O ATOM 862 CB ASP A 57 -1.139 10.100 1.169 1.00 0.00 C ATOM 863 CG ASP A 57 -1.296 11.028 2.366 1.00 0.00 C ATOM 864 OD1 ASP A 57 -1.149 10.568 3.474 1.00 0.00 O ATOM 865 OD2 ASP A 57 -1.403 12.214 2.162 1.00 0.00 O ATOM 0 H ASP A 57 -0.145 8.526 -0.502 1.00 0.00 H new ATOM 0 HA ASP A 57 0.023 8.746 2.366 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.430 10.545 0.470 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.096 10.030 0.651 1.00 0.00 H new ATOM 870 N PHE A 58 -2.508 8.209 3.020 1.00 0.00 N ATOM 871 CA PHE A 58 -3.689 7.497 3.494 1.00 0.00 C ATOM 872 C PHE A 58 -4.828 7.588 2.487 1.00 0.00 C ATOM 873 O PHE A 58 -5.481 6.591 2.183 1.00 0.00 O ATOM 874 CB PHE A 58 -4.137 8.048 4.849 1.00 0.00 C ATOM 875 CG PHE A 58 -5.397 7.418 5.372 1.00 0.00 C ATOM 876 CD1 PHE A 58 -5.389 6.122 5.865 1.00 0.00 C ATOM 877 CD2 PHE A 58 -6.593 8.121 5.371 1.00 0.00 C ATOM 878 CE1 PHE A 58 -6.548 5.542 6.346 1.00 0.00 C ATOM 879 CE2 PHE A 58 -7.752 7.544 5.852 1.00 0.00 C ATOM 880 CZ PHE A 58 -7.729 6.253 6.340 1.00 0.00 C ATOM 0 H PHE A 58 -2.243 9.012 3.591 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.422 6.447 3.610 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.338 7.897 5.575 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.289 9.124 4.761 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.467 5.559 5.873 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.618 9.131 4.990 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -6.528 4.531 6.727 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -8.676 8.103 5.846 1.00 0.00 H new ATOM 0 HZ PHE A 58 -8.635 5.801 6.716 1.00 0.00 H new ATOM 890 N ASP A 59 -5.062 8.791 1.975 1.00 0.00 N ATOM 891 CA ASP A 59 -6.074 9.001 0.946 1.00 0.00 C ATOM 892 C ASP A 59 -5.759 8.199 -0.309 1.00 0.00 C ATOM 893 O ASP A 59 -6.654 7.628 -0.933 1.00 0.00 O ATOM 894 CB ASP A 59 -6.189 10.489 0.603 1.00 0.00 C ATOM 895 CG ASP A 59 -6.870 11.331 1.674 1.00 0.00 C ATOM 896 OD1 ASP A 59 -7.455 10.762 2.566 1.00 0.00 O ATOM 897 OD2 ASP A 59 -6.670 12.521 1.682 1.00 0.00 O ATOM 0 H ASP A 59 -4.565 9.636 2.256 1.00 0.00 H new ATOM 0 HA ASP A 59 -7.028 8.653 1.342 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.190 10.887 0.426 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.743 10.593 -0.330 1.00 0.00 H new ATOM 902 N GLU A 60 -4.482 8.158 -0.675 1.00 0.00 N ATOM 903 CA GLU A 60 -4.031 7.336 -1.791 1.00 0.00 C ATOM 904 C GLU A 60 -4.101 5.854 -1.447 1.00 0.00 C ATOM 905 O GLU A 60 -4.329 5.014 -2.318 1.00 0.00 O ATOM 906 CB GLU A 60 -2.604 7.715 -2.194 1.00 0.00 C ATOM 907 CG GLU A 60 -2.476 9.092 -2.829 1.00 0.00 C ATOM 908 CD GLU A 60 -1.037 9.520 -2.917 1.00 0.00 C ATOM 909 OE1 GLU A 60 -0.198 8.831 -2.390 1.00 0.00 O ATOM 910 OE2 GLU A 60 -0.764 10.475 -3.606 1.00 0.00 O ATOM 0 H GLU A 60 -3.741 8.685 -0.214 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.698 7.523 -2.633 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.967 7.675 -1.310 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.226 6.969 -2.893 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.915 9.077 -3.826 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.039 9.819 -2.243 1.00 0.00 H new ATOM 917 N PHE A 61 -3.904 5.537 -0.171 1.00 0.00 N ATOM 918 CA PHE A 61 -3.992 4.160 0.300 1.00 0.00 C ATOM 919 C PHE A 61 -5.400 3.607 0.126 1.00 0.00 C ATOM 920 O PHE A 61 -5.582 2.466 -0.299 1.00 0.00 O ATOM 921 CB PHE A 61 -3.567 4.068 1.765 1.00 0.00 C ATOM 922 CG PHE A 61 -3.747 2.702 2.365 1.00 0.00 C ATOM 923 CD1 PHE A 61 -2.768 1.731 2.219 1.00 0.00 C ATOM 924 CD2 PHE A 61 -4.896 2.386 3.075 1.00 0.00 C ATOM 925 CE1 PHE A 61 -2.934 0.473 2.769 1.00 0.00 C ATOM 926 CE2 PHE A 61 -5.063 1.131 3.627 1.00 0.00 C ATOM 927 CZ PHE A 61 -4.080 0.173 3.473 1.00 0.00 C ATOM 0 H PHE A 61 -3.682 6.217 0.556 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.314 3.557 -0.303 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.519 4.356 1.848 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.142 4.788 2.346 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.866 1.959 1.670 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.669 3.130 3.198 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.165 -0.275 2.647 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.962 0.899 4.179 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.209 -0.809 3.903 1.00 0.00 H new ATOM 937 N LEU A 62 -6.395 4.423 0.457 1.00 0.00 N ATOM 938 CA LEU A 62 -7.791 4.025 0.318 1.00 0.00 C ATOM 939 C LEU A 62 -8.126 3.688 -1.129 1.00 0.00 C ATOM 940 O LEU A 62 -8.862 2.740 -1.401 1.00 0.00 O ATOM 941 CB LEU A 62 -8.713 5.137 0.835 1.00 0.00 C ATOM 942 CG LEU A 62 -8.628 5.408 2.343 1.00 0.00 C ATOM 943 CD1 LEU A 62 -9.451 6.638 2.699 1.00 0.00 C ATOM 944 CD2 LEU A 62 -9.119 4.189 3.108 1.00 0.00 C ATOM 0 H LEU A 62 -6.260 5.365 0.824 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.949 3.128 0.916 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.478 6.059 0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.742 4.879 0.586 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.591 5.600 2.620 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.385 6.822 3.771 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.066 7.502 2.158 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.492 6.471 2.423 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.058 4.383 4.179 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.154 3.981 2.835 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.498 3.329 2.859 1.00 0.00 H new ATOM 956 N LYS A 63 -7.582 4.471 -2.055 1.00 0.00 N ATOM 957 CA LYS A 63 -7.796 4.237 -3.478 1.00 0.00 C ATOM 958 C LYS A 63 -7.022 3.017 -3.958 1.00 0.00 C ATOM 959 O LYS A 63 -7.491 2.270 -4.816 1.00 0.00 O ATOM 960 CB LYS A 63 -7.393 5.469 -4.289 1.00 0.00 C ATOM 961 CG LYS A 63 -8.293 6.681 -4.084 1.00 0.00 C ATOM 962 CD LYS A 63 -7.814 7.870 -4.901 1.00 0.00 C ATOM 963 CE LYS A 63 -8.683 9.096 -4.659 1.00 0.00 C ATOM 964 NZ LYS A 63 -8.203 10.279 -5.422 1.00 0.00 N ATOM 0 H LYS A 63 -6.989 5.274 -1.845 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.859 4.046 -3.629 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.371 5.743 -4.027 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.392 5.208 -5.347 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.315 6.430 -4.368 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.312 6.947 -3.027 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.780 8.098 -4.642 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.829 7.615 -5.961 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.711 8.874 -4.944 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.691 9.330 -3.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.823 11.092 -5.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.231 10.508 -5.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.219 10.066 -6.440 1.00 0.00 H new ATOM 978 N MET A 64 -5.832 2.820 -3.401 1.00 0.00 N ATOM 979 CA MET A 64 -5.019 1.653 -3.719 1.00 0.00 C ATOM 980 C MET A 64 -5.721 0.364 -3.307 1.00 0.00 C ATOM 981 O MET A 64 -5.740 -0.610 -4.059 1.00 0.00 O ATOM 982 CB MET A 64 -3.658 1.754 -3.036 1.00 0.00 C ATOM 983 CG MET A 64 -2.734 0.572 -3.293 1.00 0.00 C ATOM 984 SD MET A 64 -1.155 0.724 -2.433 1.00 0.00 S ATOM 985 CE MET A 64 -1.650 0.367 -0.750 1.00 0.00 C ATOM 0 H MET A 64 -5.408 3.456 -2.725 1.00 0.00 H new ATOM 0 HA MET A 64 -4.873 1.628 -4.799 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.164 2.665 -3.372 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.811 1.852 -1.961 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.229 -0.346 -2.977 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.553 0.484 -4.364 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.222 1.112 -0.079 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.737 0.395 -0.677 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.292 -0.623 -0.468 1.00 0.00 H new ATOM 995 N MET A 65 -6.296 0.367 -2.110 1.00 0.00 N ATOM 996 CA MET A 65 -6.996 -0.803 -1.593 1.00 0.00 C ATOM 997 C MET A 65 -8.362 -0.961 -2.251 1.00 0.00 C ATOM 998 O MET A 65 -8.885 -2.071 -2.355 1.00 0.00 O ATOM 999 CB MET A 65 -7.148 -0.701 -0.078 1.00 0.00 C ATOM 1000 CG MET A 65 -5.838 -0.785 0.693 1.00 0.00 C ATOM 1001 SD MET A 65 -4.941 -2.317 0.373 1.00 0.00 S ATOM 1002 CE MET A 65 -6.014 -3.511 1.166 1.00 0.00 C ATOM 0 H MET A 65 -6.291 1.168 -1.478 1.00 0.00 H new ATOM 0 HA MET A 65 -6.402 -1.685 -1.831 1.00 0.00 H new ATOM 0 HB2 MET A 65 -7.637 0.243 0.163 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.808 -1.499 0.263 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.208 0.063 0.425 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.043 -0.705 1.760 1.00 0.00 H new ATOM 0 HE1 MET A 65 -5.493 -4.464 1.259 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.290 -3.151 2.157 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.914 -3.647 0.566 1.00 0.00 H new ATOM 1012 N GLU A 66 -8.934 0.153 -2.692 1.00 0.00 N ATOM 1013 CA GLU A 66 -10.150 0.124 -3.496 1.00 0.00 C ATOM 1014 C GLU A 66 -9.929 -0.630 -4.801 1.00 0.00 C ATOM 1015 O GLU A 66 -10.793 -1.387 -5.245 1.00 0.00 O ATOM 1016 CB GLU A 66 -10.634 1.546 -3.786 1.00 0.00 C ATOM 1017 CG GLU A 66 -11.918 1.619 -4.599 1.00 0.00 C ATOM 1018 CD GLU A 66 -12.348 3.043 -4.816 1.00 0.00 C ATOM 1019 OE1 GLU A 66 -11.677 3.926 -4.337 1.00 0.00 O ATOM 1020 OE2 GLU A 66 -13.281 3.256 -5.553 1.00 0.00 O ATOM 0 H GLU A 66 -8.575 1.089 -2.506 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.915 -0.401 -2.924 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.787 2.065 -2.840 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.849 2.082 -4.320 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.769 1.131 -5.562 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.708 1.073 -4.084 1.00 0.00 H new