USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=11 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 Set 1.1: A 48 SER OG : rot 45:sc= 0.518 USER MOD Set 1.2: A 64 MET CE :methyl -160:sc= -0.0861 (180deg=-0.334) USER MOD Single : A 1 SER N :NH3+ -170:sc=-0.00514 (180deg=-0.129) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 63:sc= 0.651 USER MOD Single : A 8 CYS SG : rot 76:sc= 0.217 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.0143 K(o=-0.014,f=-1.2) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.37 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.0157 K(o=-0.016,f=-1.1) USER MOD Single : A 63 LYS NZ :NH3+ -179:sc= 0.928 (180deg=0.927) USER MOD Single : A 65 MET CE :methyl -168:sc=-0.00918 (180deg=-0.224) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -15.883 0.198 5.320 1.00 0.00 N ATOM 2 CA SER A 1 -14.560 -0.414 5.268 1.00 0.00 C ATOM 3 C SER A 1 -13.486 0.554 5.746 1.00 0.00 C ATOM 4 O SER A 1 -12.556 0.166 6.451 1.00 0.00 O ATOM 5 CB SER A 1 -14.258 -0.886 3.859 1.00 0.00 C ATOM 6 OG SER A 1 -15.181 -1.840 3.414 1.00 0.00 O ATOM 0 H1 SER A 1 -16.608 -0.528 5.153 1.00 0.00 H new ATOM 0 H2 SER A 1 -16.031 0.626 6.256 1.00 0.00 H new ATOM 0 H3 SER A 1 -15.955 0.933 4.588 1.00 0.00 H new ATOM 0 HA SER A 1 -14.557 -1.274 5.938 1.00 0.00 H new ATOM 0 HB2 SER A 1 -14.265 -0.032 3.182 1.00 0.00 H new ATOM 0 HB3 SER A 1 -13.255 -1.310 3.827 1.00 0.00 H new ATOM 0 HG SER A 1 -14.952 -2.116 2.502 1.00 0.00 H new ATOM 14 N GLU A 2 -13.621 1.818 5.357 1.00 0.00 N ATOM 15 CA GLU A 2 -12.616 2.827 5.671 1.00 0.00 C ATOM 16 C GLU A 2 -12.296 2.841 7.160 1.00 0.00 C ATOM 17 O GLU A 2 -11.139 2.982 7.555 1.00 0.00 O ATOM 18 CB GLU A 2 -13.090 4.212 5.222 1.00 0.00 C ATOM 19 CG GLU A 2 -12.105 5.336 5.509 1.00 0.00 C ATOM 20 CD GLU A 2 -12.624 6.657 5.012 1.00 0.00 C ATOM 21 OE1 GLU A 2 -13.695 6.682 4.456 1.00 0.00 O ATOM 22 OE2 GLU A 2 -12.004 7.657 5.287 1.00 0.00 O ATOM 0 H GLU A 2 -14.417 2.168 4.824 1.00 0.00 H new ATOM 0 HA GLU A 2 -11.705 2.571 5.129 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -13.290 4.185 4.151 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -14.035 4.438 5.717 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -11.920 5.396 6.582 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -11.150 5.116 5.033 1.00 0.00 H new ATOM 29 N GLU A 3 -13.330 2.693 7.984 1.00 0.00 N ATOM 30 CA GLU A 3 -13.166 2.736 9.432 1.00 0.00 C ATOM 31 C GLU A 3 -12.270 1.605 9.919 1.00 0.00 C ATOM 32 O GLU A 3 -11.507 1.772 10.871 1.00 0.00 O ATOM 33 CB GLU A 3 -14.528 2.663 10.126 1.00 0.00 C ATOM 34 CG GLU A 3 -15.384 3.912 9.964 1.00 0.00 C ATOM 35 CD GLU A 3 -16.748 3.722 10.569 1.00 0.00 C ATOM 36 OE1 GLU A 3 -17.028 2.640 11.028 1.00 0.00 O ATOM 37 OE2 GLU A 3 -17.468 4.687 10.675 1.00 0.00 O ATOM 0 H GLU A 3 -14.290 2.542 7.673 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.688 3.682 9.686 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -15.077 1.807 9.733 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -14.371 2.480 11.189 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -14.888 4.759 10.438 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -15.484 4.152 8.906 1.00 0.00 H new ATOM 44 N GLU A 4 -12.367 0.455 9.262 1.00 0.00 N ATOM 45 CA GLU A 4 -11.513 -0.684 9.581 1.00 0.00 C ATOM 46 C GLU A 4 -10.129 -0.525 8.963 1.00 0.00 C ATOM 47 O GLU A 4 -9.128 -0.940 9.548 1.00 0.00 O ATOM 48 CB GLU A 4 -12.157 -1.986 9.100 1.00 0.00 C ATOM 49 CG GLU A 4 -13.433 -2.368 9.840 1.00 0.00 C ATOM 50 CD GLU A 4 -14.037 -3.622 9.274 1.00 0.00 C ATOM 51 OE1 GLU A 4 -13.498 -4.145 8.327 1.00 0.00 O ATOM 52 OE2 GLU A 4 -14.972 -4.121 9.854 1.00 0.00 O ATOM 0 H GLU A 4 -13.029 0.286 8.505 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.400 -0.723 10.664 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -12.381 -1.895 8.037 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.434 -2.795 9.205 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -13.213 -2.513 10.898 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.153 -1.552 9.773 1.00 0.00 H new ATOM 59 N LEU A 5 -10.080 0.078 7.781 1.00 0.00 N ATOM 60 CA LEU A 5 -8.827 0.241 7.055 1.00 0.00 C ATOM 61 C LEU A 5 -7.974 1.343 7.671 1.00 0.00 C ATOM 62 O LEU A 5 -6.771 1.421 7.423 1.00 0.00 O ATOM 63 CB LEU A 5 -9.104 0.543 5.578 1.00 0.00 C ATOM 64 CG LEU A 5 -9.780 -0.591 4.796 1.00 0.00 C ATOM 65 CD1 LEU A 5 -10.023 -0.159 3.355 1.00 0.00 C ATOM 66 CD2 LEU A 5 -8.907 -1.836 4.845 1.00 0.00 C ATOM 0 H LEU A 5 -10.896 0.463 7.304 1.00 0.00 H new ATOM 0 HA LEU A 5 -8.271 -0.694 7.126 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -9.734 1.431 5.517 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.160 0.787 5.090 1.00 0.00 H new ATOM 0 HG LEU A 5 -10.743 -0.821 5.251 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -10.503 -0.970 2.808 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -10.669 0.719 3.342 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -9.071 0.084 2.883 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -9.389 -2.640 4.289 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -7.936 -1.618 4.399 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -8.769 -2.143 5.882 1.00 0.00 H new ATOM 78 N SER A 6 -8.604 2.194 8.473 1.00 0.00 N ATOM 79 CA SER A 6 -7.877 3.155 9.293 1.00 0.00 C ATOM 80 C SER A 6 -6.938 2.451 10.265 1.00 0.00 C ATOM 81 O SER A 6 -5.828 2.921 10.521 1.00 0.00 O ATOM 82 CB SER A 6 -8.851 4.039 10.048 1.00 0.00 C ATOM 83 OG SER A 6 -9.591 4.861 9.188 1.00 0.00 O ATOM 0 H SER A 6 -9.618 2.238 8.573 1.00 0.00 H new ATOM 0 HA SER A 6 -7.272 3.776 8.632 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.532 3.415 10.628 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.303 4.658 10.758 1.00 0.00 H new ATOM 0 HG SER A 6 -10.143 4.305 8.599 1.00 0.00 H new ATOM 89 N GLU A 7 -7.388 1.324 10.803 1.00 0.00 N ATOM 90 CA GLU A 7 -6.574 0.532 11.717 1.00 0.00 C ATOM 91 C GLU A 7 -5.497 -0.242 10.967 1.00 0.00 C ATOM 92 O GLU A 7 -4.364 -0.359 11.434 1.00 0.00 O ATOM 93 CB GLU A 7 -7.450 -0.431 12.521 1.00 0.00 C ATOM 94 CG GLU A 7 -8.387 0.248 13.509 1.00 0.00 C ATOM 95 CD GLU A 7 -9.273 -0.753 14.199 1.00 0.00 C ATOM 96 OE1 GLU A 7 -9.195 -1.912 13.870 1.00 0.00 O ATOM 97 OE2 GLU A 7 -9.946 -0.378 15.130 1.00 0.00 O ATOM 0 H GLU A 7 -8.314 0.937 10.622 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.083 1.220 12.405 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.043 -1.028 11.828 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -6.805 -1.121 13.066 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.803 0.793 14.251 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.001 0.981 12.986 1.00 0.00 H new ATOM 104 N CYS A 8 -5.859 -0.770 9.803 1.00 0.00 N ATOM 105 CA CYS A 8 -4.907 -1.474 8.952 1.00 0.00 C ATOM 106 C CYS A 8 -3.763 -0.559 8.532 1.00 0.00 C ATOM 107 O CYS A 8 -2.603 -0.971 8.509 1.00 0.00 O ATOM 108 CB CYS A 8 -5.757 -1.864 7.743 1.00 0.00 C ATOM 109 SG CYS A 8 -7.069 -3.056 8.102 1.00 0.00 S ATOM 0 H CYS A 8 -6.806 -0.724 9.427 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.437 -2.323 9.447 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.206 -0.963 7.325 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.105 -2.281 6.975 1.00 0.00 H new ATOM 0 HG CYS A 8 -8.050 -2.453 8.704 1.00 0.00 H new ATOM 115 N PHE A 9 -4.097 0.682 8.199 1.00 0.00 N ATOM 116 CA PHE A 9 -3.091 1.687 7.877 1.00 0.00 C ATOM 117 C PHE A 9 -2.082 1.838 9.010 1.00 0.00 C ATOM 118 O PHE A 9 -0.875 1.888 8.776 1.00 0.00 O ATOM 119 CB PHE A 9 -3.754 3.032 7.579 1.00 0.00 C ATOM 120 CG PHE A 9 -2.781 4.124 7.232 1.00 0.00 C ATOM 121 CD1 PHE A 9 -2.301 4.259 5.938 1.00 0.00 C ATOM 122 CD2 PHE A 9 -2.345 5.017 8.199 1.00 0.00 C ATOM 123 CE1 PHE A 9 -1.406 5.262 5.618 1.00 0.00 C ATOM 124 CE2 PHE A 9 -1.452 6.022 7.881 1.00 0.00 C ATOM 125 CZ PHE A 9 -0.982 6.144 6.589 1.00 0.00 C ATOM 0 H PHE A 9 -5.059 1.017 8.145 1.00 0.00 H new ATOM 0 HA PHE A 9 -2.557 1.352 6.988 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -4.454 2.906 6.753 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.337 3.340 8.447 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.630 3.573 5.172 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.708 4.926 9.212 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -1.038 5.355 4.607 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.122 6.712 8.643 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.283 6.929 6.339 1.00 0.00 H new ATOM 135 N ARG A 10 -2.586 1.912 10.237 1.00 0.00 N ATOM 136 CA ARG A 10 -1.730 2.043 11.410 1.00 0.00 C ATOM 137 C ARG A 10 -0.864 0.805 11.600 1.00 0.00 C ATOM 138 O ARG A 10 0.274 0.896 12.061 1.00 0.00 O ATOM 139 CB ARG A 10 -2.523 2.366 12.667 1.00 0.00 C ATOM 140 CG ARG A 10 -3.143 3.754 12.694 1.00 0.00 C ATOM 141 CD ARG A 10 -4.019 4.012 13.865 1.00 0.00 C ATOM 142 NE ARG A 10 -4.639 5.327 13.875 1.00 0.00 N ATOM 143 CZ ARG A 10 -5.554 5.733 14.777 1.00 0.00 C ATOM 144 NH1 ARG A 10 -5.986 4.922 15.717 1.00 0.00 N ATOM 145 NH2 ARG A 10 -6.026 6.964 14.677 1.00 0.00 N ATOM 0 H ARG A 10 -3.584 1.883 10.445 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.068 2.890 11.230 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.317 1.627 12.778 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.866 2.261 13.530 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.344 4.496 12.683 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.724 3.897 11.783 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.802 3.255 13.891 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.431 3.894 14.775 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.362 5.988 13.149 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.628 3.968 15.772 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.679 5.246 16.392 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.697 7.578 13.932 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.720 7.300 15.345 1.00 0.00 H new ATOM 159 N ILE A 11 -1.408 -0.353 11.242 1.00 0.00 N ATOM 160 CA ILE A 11 -0.664 -1.605 11.313 1.00 0.00 C ATOM 161 C ILE A 11 0.485 -1.620 10.313 1.00 0.00 C ATOM 162 O ILE A 11 1.603 -2.013 10.644 1.00 0.00 O ATOM 163 CB ILE A 11 -1.574 -2.819 11.054 1.00 0.00 C ATOM 164 CG1 ILE A 11 -2.566 -2.998 12.206 1.00 0.00 C ATOM 165 CG2 ILE A 11 -0.742 -4.077 10.864 1.00 0.00 C ATOM 166 CD1 ILE A 11 -3.677 -3.980 11.908 1.00 0.00 C ATOM 0 H ILE A 11 -2.364 -0.450 10.899 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.262 -1.674 12.324 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.138 -2.640 10.139 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.025 -3.334 13.090 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.005 -2.030 12.449 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.402 -4.925 10.682 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.075 -3.947 10.012 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.152 -4.262 11.762 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.339 -4.053 12.771 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.245 -3.636 11.043 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.249 -4.960 11.695 1.00 0.00 H new ATOM 178 N PHE A 12 0.201 -1.190 9.088 1.00 0.00 N ATOM 179 CA PHE A 12 1.196 -1.203 8.022 1.00 0.00 C ATOM 180 C PHE A 12 2.214 -0.084 8.205 1.00 0.00 C ATOM 181 O PHE A 12 3.351 -0.184 7.744 1.00 0.00 O ATOM 182 CB PHE A 12 0.519 -1.080 6.657 1.00 0.00 C ATOM 183 CG PHE A 12 -0.113 -2.355 6.177 1.00 0.00 C ATOM 184 CD1 PHE A 12 0.668 -3.447 5.829 1.00 0.00 C ATOM 185 CD2 PHE A 12 -1.493 -2.466 6.073 1.00 0.00 C ATOM 186 CE1 PHE A 12 0.088 -4.619 5.387 1.00 0.00 C ATOM 187 CE2 PHE A 12 -2.075 -3.639 5.632 1.00 0.00 C ATOM 188 CZ PHE A 12 -1.286 -4.715 5.289 1.00 0.00 C ATOM 0 H PHE A 12 -0.711 -0.828 8.809 1.00 0.00 H new ATOM 0 HA PHE A 12 1.724 -2.155 8.070 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -0.245 -0.304 6.709 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.257 -0.753 5.924 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.743 -3.380 5.905 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.118 -1.627 6.340 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.709 -5.461 5.118 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.150 -3.712 5.556 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.741 -5.632 4.944 1.00 0.00 H new ATOM 198 N ASP A 13 1.799 0.982 8.881 1.00 0.00 N ATOM 199 CA ASP A 13 2.705 2.070 9.228 1.00 0.00 C ATOM 200 C ASP A 13 3.507 1.742 10.480 1.00 0.00 C ATOM 201 O ASP A 13 3.241 2.274 11.557 1.00 0.00 O ATOM 202 CB ASP A 13 1.926 3.373 9.430 1.00 0.00 C ATOM 203 CG ASP A 13 2.800 4.608 9.597 1.00 0.00 C ATOM 204 OD1 ASP A 13 3.993 4.494 9.439 1.00 0.00 O ATOM 205 OD2 ASP A 13 2.259 5.680 9.727 1.00 0.00 O ATOM 0 H ASP A 13 0.839 1.115 9.200 1.00 0.00 H new ATOM 0 HA ASP A 13 3.402 2.198 8.400 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.265 3.523 8.576 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.291 3.270 10.310 1.00 0.00 H new ATOM 210 N LYS A 14 4.492 0.861 10.331 1.00 0.00 N ATOM 211 CA LYS A 14 5.244 0.353 11.473 1.00 0.00 C ATOM 212 C LYS A 14 5.939 1.483 12.221 1.00 0.00 C ATOM 213 O LYS A 14 5.893 1.547 13.449 1.00 0.00 O ATOM 214 CB LYS A 14 6.270 -0.686 11.018 1.00 0.00 C ATOM 215 CG LYS A 14 7.097 -1.289 12.146 1.00 0.00 C ATOM 216 CD LYS A 14 8.060 -2.344 11.623 1.00 0.00 C ATOM 217 CE LYS A 14 8.925 -2.908 12.741 1.00 0.00 C ATOM 218 NZ LYS A 14 9.897 -3.916 12.238 1.00 0.00 N ATOM 0 H LYS A 14 4.788 0.484 9.430 1.00 0.00 H new ATOM 0 HA LYS A 14 4.537 -0.122 12.154 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.749 -1.489 10.496 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.944 -0.222 10.298 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.656 -0.501 12.651 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.434 -1.735 12.888 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.498 -3.151 11.153 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.696 -1.908 10.853 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.464 -2.095 13.227 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.287 -3.365 13.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.466 -4.275 13.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.382 -4.704 11.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.523 -3.474 11.535 1.00 0.00 H new ATOM 232 N ASP A 15 6.583 2.372 11.473 1.00 0.00 N ATOM 233 CA ASP A 15 7.411 3.417 12.066 1.00 0.00 C ATOM 234 C ASP A 15 6.558 4.571 12.575 1.00 0.00 C ATOM 235 O ASP A 15 7.029 5.413 13.341 1.00 0.00 O ATOM 236 CB ASP A 15 8.437 3.928 11.052 1.00 0.00 C ATOM 237 CG ASP A 15 9.559 2.947 10.742 1.00 0.00 C ATOM 238 OD1 ASP A 15 9.708 1.996 11.473 1.00 0.00 O ATOM 239 OD2 ASP A 15 10.153 3.065 9.698 1.00 0.00 O ATOM 0 H ASP A 15 6.548 2.390 10.454 1.00 0.00 H new ATOM 0 HA ASP A 15 7.939 2.983 12.915 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.921 4.175 10.124 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.874 4.853 11.430 1.00 0.00 H new ATOM 244 N GLY A 16 5.300 4.606 12.147 1.00 0.00 N ATOM 245 CA GLY A 16 4.386 5.669 12.544 1.00 0.00 C ATOM 246 C GLY A 16 4.742 6.985 11.864 1.00 0.00 C ATOM 247 O GLY A 16 4.733 8.043 12.492 1.00 0.00 O ATOM 0 H GLY A 16 4.891 3.909 11.525 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.365 5.389 12.287 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.419 5.795 13.626 1.00 0.00 H new ATOM 251 N ASN A 17 5.059 6.912 10.575 1.00 0.00 N ATOM 252 CA ASN A 17 5.540 8.074 9.838 1.00 0.00 C ATOM 253 C ASN A 17 4.381 8.915 9.319 1.00 0.00 C ATOM 254 O ASN A 17 4.561 10.076 8.950 1.00 0.00 O ATOM 255 CB ASN A 17 6.447 7.667 8.691 1.00 0.00 C ATOM 256 CG ASN A 17 7.780 7.133 9.134 1.00 0.00 C ATOM 257 OD1 ASN A 17 8.258 7.435 10.235 1.00 0.00 O ATOM 258 ND2 ASN A 17 8.421 6.409 8.253 1.00 0.00 N ATOM 0 H ASN A 17 4.991 6.059 10.019 1.00 0.00 H new ATOM 0 HA ASN A 17 6.121 8.679 10.534 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.943 6.908 8.092 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.608 8.529 8.044 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.359 6.066 8.460 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.983 6.187 7.359 1.00 0.00 H new ATOM 265 N GLY A 18 3.192 8.324 9.293 1.00 0.00 N ATOM 266 CA GLY A 18 2.004 9.012 8.801 1.00 0.00 C ATOM 267 C GLY A 18 1.750 8.694 7.333 1.00 0.00 C ATOM 268 O GLY A 18 0.853 9.262 6.711 1.00 0.00 O ATOM 0 H GLY A 18 3.025 7.368 9.607 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.138 8.718 9.394 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.126 10.088 8.927 1.00 0.00 H new ATOM 272 N PHE A 19 2.546 7.782 6.785 1.00 0.00 N ATOM 273 CA PHE A 19 2.391 7.366 5.396 1.00 0.00 C ATOM 274 C PHE A 19 2.950 5.966 5.175 1.00 0.00 C ATOM 275 O PHE A 19 3.686 5.442 6.011 1.00 0.00 O ATOM 276 CB PHE A 19 3.079 8.361 4.460 1.00 0.00 C ATOM 277 CG PHE A 19 4.572 8.414 4.623 1.00 0.00 C ATOM 278 CD1 PHE A 19 5.393 7.573 3.888 1.00 0.00 C ATOM 279 CD2 PHE A 19 5.156 9.302 5.513 1.00 0.00 C ATOM 280 CE1 PHE A 19 6.766 7.621 4.036 1.00 0.00 C ATOM 281 CE2 PHE A 19 6.529 9.353 5.663 1.00 0.00 C ATOM 282 CZ PHE A 19 7.334 8.510 4.923 1.00 0.00 C ATOM 0 H PHE A 19 3.305 7.317 7.282 1.00 0.00 H new ATOM 0 HA PHE A 19 1.325 7.346 5.170 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.845 8.097 3.429 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.668 9.355 4.636 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.955 6.873 3.192 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.531 9.962 6.096 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.395 6.961 3.456 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.972 10.051 6.358 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.407 8.547 5.039 1.00 0.00 H new ATOM 292 N ILE A 20 2.596 5.365 4.044 1.00 0.00 N ATOM 293 CA ILE A 20 3.145 4.070 3.660 1.00 0.00 C ATOM 294 C ILE A 20 4.228 4.223 2.600 1.00 0.00 C ATOM 295 O ILE A 20 3.995 4.808 1.541 1.00 0.00 O ATOM 296 CB ILE A 20 2.049 3.127 3.130 1.00 0.00 C ATOM 297 CG1 ILE A 20 0.954 2.937 4.182 1.00 0.00 C ATOM 298 CG2 ILE A 20 2.648 1.787 2.733 1.00 0.00 C ATOM 299 CD1 ILE A 20 1.450 2.341 5.481 1.00 0.00 C ATOM 0 H ILE A 20 1.930 5.755 3.377 1.00 0.00 H new ATOM 0 HA ILE A 20 3.582 3.635 4.559 1.00 0.00 H new ATOM 0 HB ILE A 20 1.601 3.579 2.245 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.491 3.902 4.389 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.177 2.293 3.771 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.860 1.132 2.361 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.393 1.939 1.952 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.121 1.328 3.601 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.616 2.237 6.175 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.886 1.361 5.288 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.206 2.995 5.916 1.00 0.00 H new ATOM 311 N ASP A 21 5.411 3.693 2.888 1.00 0.00 N ATOM 312 CA ASP A 21 6.501 3.679 1.921 1.00 0.00 C ATOM 313 C ASP A 21 6.539 2.365 1.152 1.00 0.00 C ATOM 314 O ASP A 21 5.673 1.507 1.327 1.00 0.00 O ATOM 315 CB ASP A 21 7.842 3.918 2.620 1.00 0.00 C ATOM 316 CG ASP A 21 8.240 2.829 3.606 1.00 0.00 C ATOM 317 OD1 ASP A 21 7.594 1.808 3.626 1.00 0.00 O ATOM 318 OD2 ASP A 21 9.274 2.957 4.217 1.00 0.00 O ATOM 0 H ASP A 21 5.640 3.266 3.786 1.00 0.00 H new ATOM 0 HA ASP A 21 6.324 4.485 1.209 1.00 0.00 H new ATOM 0 HB2 ASP A 21 8.621 4.008 1.863 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.798 4.871 3.148 1.00 0.00 H new ATOM 323 N ARG A 22 7.547 2.212 0.300 1.00 0.00 N ATOM 324 CA ARG A 22 7.661 1.031 -0.548 1.00 0.00 C ATOM 325 C ARG A 22 7.867 -0.228 0.284 1.00 0.00 C ATOM 326 O ARG A 22 7.304 -1.280 -0.015 1.00 0.00 O ATOM 327 CB ARG A 22 8.746 1.186 -1.603 1.00 0.00 C ATOM 328 CG ARG A 22 8.924 -0.015 -2.518 1.00 0.00 C ATOM 329 CD ARG A 22 9.920 0.183 -3.602 1.00 0.00 C ATOM 330 NE ARG A 22 10.152 -0.990 -4.430 1.00 0.00 N ATOM 331 CZ ARG A 22 11.006 -1.986 -4.123 1.00 0.00 C ATOM 332 NH1 ARG A 22 11.737 -1.939 -3.032 1.00 0.00 N ATOM 333 NH2 ARG A 22 11.107 -3.003 -4.961 1.00 0.00 N ATOM 0 H ARG A 22 8.298 2.892 0.178 1.00 0.00 H new ATOM 0 HA ARG A 22 6.716 0.927 -1.081 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.517 2.059 -2.214 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.693 1.387 -1.103 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.225 -0.873 -1.917 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.961 -0.261 -2.966 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.586 1.002 -4.239 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.866 0.491 -3.157 1.00 0.00 H new ATOM 0 HE ARG A 22 9.632 -1.064 -5.304 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.663 -1.140 -2.402 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.379 -2.702 -2.815 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.547 -3.019 -5.813 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.745 -3.772 -4.755 1.00 0.00 H new ATOM 347 N GLU A 23 8.679 -0.112 1.330 1.00 0.00 N ATOM 348 CA GLU A 23 8.972 -1.245 2.202 1.00 0.00 C ATOM 349 C GLU A 23 7.698 -1.809 2.818 1.00 0.00 C ATOM 350 O GLU A 23 7.484 -3.021 2.826 1.00 0.00 O ATOM 351 CB GLU A 23 9.951 -0.834 3.303 1.00 0.00 C ATOM 352 CG GLU A 23 10.348 -1.963 4.243 1.00 0.00 C ATOM 353 CD GLU A 23 11.351 -1.498 5.263 1.00 0.00 C ATOM 354 OE1 GLU A 23 11.728 -0.352 5.216 1.00 0.00 O ATOM 355 OE2 GLU A 23 11.655 -2.254 6.155 1.00 0.00 O ATOM 0 H GLU A 23 9.146 0.755 1.595 1.00 0.00 H new ATOM 0 HA GLU A 23 9.431 -2.024 1.594 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.851 -0.429 2.840 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.505 -0.030 3.888 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.462 -2.346 4.749 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.768 -2.788 3.667 1.00 0.00 H new ATOM 362 N GLU A 24 6.853 -0.922 3.334 1.00 0.00 N ATOM 363 CA GLU A 24 5.613 -1.333 3.981 1.00 0.00 C ATOM 364 C GLU A 24 4.537 -1.659 2.953 1.00 0.00 C ATOM 365 O GLU A 24 3.637 -2.458 3.214 1.00 0.00 O ATOM 366 CB GLU A 24 5.117 -0.240 4.931 1.00 0.00 C ATOM 367 CG GLU A 24 6.067 0.075 6.077 1.00 0.00 C ATOM 368 CD GLU A 24 6.219 -1.103 6.999 1.00 0.00 C ATOM 369 OE1 GLU A 24 5.482 -2.048 6.852 1.00 0.00 O ATOM 370 OE2 GLU A 24 7.143 -1.107 7.777 1.00 0.00 O ATOM 0 H GLU A 24 7.005 0.086 3.316 1.00 0.00 H new ATOM 0 HA GLU A 24 5.820 -2.236 4.556 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.943 0.671 4.358 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.156 -0.544 5.345 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.042 0.355 5.678 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.693 0.932 6.637 1.00 0.00 H new ATOM 377 N PHE A 25 4.637 -1.039 1.782 1.00 0.00 N ATOM 378 CA PHE A 25 3.761 -1.369 0.664 1.00 0.00 C ATOM 379 C PHE A 25 3.918 -2.827 0.253 1.00 0.00 C ATOM 380 O PHE A 25 2.940 -3.497 -0.081 1.00 0.00 O ATOM 381 CB PHE A 25 4.048 -0.452 -0.528 1.00 0.00 C ATOM 382 CG PHE A 25 3.369 -0.880 -1.798 1.00 0.00 C ATOM 383 CD1 PHE A 25 1.992 -0.793 -1.928 1.00 0.00 C ATOM 384 CD2 PHE A 25 4.108 -1.370 -2.865 1.00 0.00 C ATOM 385 CE1 PHE A 25 1.367 -1.186 -3.097 1.00 0.00 C ATOM 386 CE2 PHE A 25 3.486 -1.762 -4.033 1.00 0.00 C ATOM 387 CZ PHE A 25 2.114 -1.671 -4.149 1.00 0.00 C ATOM 0 H PHE A 25 5.316 -0.305 1.583 1.00 0.00 H new ATOM 0 HA PHE A 25 2.732 -1.216 0.989 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.730 0.561 -0.280 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.124 -0.416 -0.696 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.401 -0.414 -1.107 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.182 -1.446 -2.781 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.293 -1.113 -3.186 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.073 -2.140 -4.857 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.627 -1.979 -5.062 1.00 0.00 H new ATOM 397 N GLY A 26 5.154 -3.314 0.279 1.00 0.00 N ATOM 398 CA GLY A 26 5.438 -4.703 -0.059 1.00 0.00 C ATOM 399 C GLY A 26 4.556 -5.655 0.739 1.00 0.00 C ATOM 400 O GLY A 26 4.120 -6.688 0.230 1.00 0.00 O ATOM 0 H GLY A 26 5.976 -2.766 0.531 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.277 -4.861 -1.125 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.487 -4.921 0.140 1.00 0.00 H new ATOM 404 N ASP A 27 4.296 -5.302 1.994 1.00 0.00 N ATOM 405 CA ASP A 27 3.426 -6.099 2.849 1.00 0.00 C ATOM 406 C ASP A 27 1.974 -6.004 2.399 1.00 0.00 C ATOM 407 O ASP A 27 1.220 -6.972 2.497 1.00 0.00 O ATOM 408 CB ASP A 27 3.554 -5.653 4.308 1.00 0.00 C ATOM 409 CG ASP A 27 4.863 -6.055 4.976 1.00 0.00 C ATOM 410 OD1 ASP A 27 5.566 -6.866 4.421 1.00 0.00 O ATOM 411 OD2 ASP A 27 5.223 -5.437 5.949 1.00 0.00 O ATOM 0 H ASP A 27 4.676 -4.468 2.441 1.00 0.00 H new ATOM 0 HA ASP A 27 3.741 -7.139 2.767 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.455 -4.568 4.354 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.725 -6.073 4.878 1.00 0.00 H new ATOM 416 N ILE A 28 1.589 -4.832 1.906 1.00 0.00 N ATOM 417 CA ILE A 28 0.231 -4.615 1.418 1.00 0.00 C ATOM 418 C ILE A 28 -0.018 -5.380 0.125 1.00 0.00 C ATOM 419 O ILE A 28 -1.005 -6.104 0.001 1.00 0.00 O ATOM 420 CB ILE A 28 -0.053 -3.120 1.184 1.00 0.00 C ATOM 421 CG1 ILE A 28 -0.030 -2.358 2.510 1.00 0.00 C ATOM 422 CG2 ILE A 28 -1.390 -2.937 0.483 1.00 0.00 C ATOM 423 CD1 ILE A 28 -0.027 -0.855 2.350 1.00 0.00 C ATOM 0 H ILE A 28 2.198 -4.017 1.833 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.444 -4.985 2.190 1.00 0.00 H new ATOM 0 HB ILE A 28 0.729 -2.714 0.542 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.898 -2.649 3.101 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.854 -2.656 3.074 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.576 -1.875 0.325 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.369 -3.449 -0.479 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.185 -3.356 1.100 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.010 -0.384 3.333 1.00 0.00 H new ATOM 0 HD12 ILE A 28 0.855 -0.551 1.787 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.924 -0.544 1.814 1.00 0.00 H new ATOM 435 N ILE A 29 0.883 -5.214 -0.838 1.00 0.00 N ATOM 436 CA ILE A 29 0.745 -5.862 -2.137 1.00 0.00 C ATOM 437 C ILE A 29 0.920 -7.371 -2.020 1.00 0.00 C ATOM 438 O ILE A 29 0.454 -8.127 -2.873 1.00 0.00 O ATOM 439 CB ILE A 29 1.764 -5.313 -3.152 1.00 0.00 C ATOM 440 CG1 ILE A 29 1.325 -5.645 -4.581 1.00 0.00 C ATOM 441 CG2 ILE A 29 3.149 -5.876 -2.874 1.00 0.00 C ATOM 442 CD1 ILE A 29 0.036 -4.971 -4.996 1.00 0.00 C ATOM 0 H ILE A 29 1.718 -4.635 -0.743 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.262 -5.643 -2.493 1.00 0.00 H new ATOM 0 HB ILE A 29 1.807 -4.229 -3.047 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.116 -5.352 -5.271 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.206 -6.725 -4.673 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.857 -5.477 -3.601 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.462 -5.592 -1.869 1.00 0.00 H new ATOM 0 HG23 ILE A 29 3.122 -6.963 -2.952 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.210 -5.254 -6.019 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.769 -5.283 -4.330 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.156 -3.889 -4.938 1.00 0.00 H new ATOM 454 N ARG A 30 1.595 -7.804 -0.960 1.00 0.00 N ATOM 455 CA ARG A 30 1.757 -9.226 -0.683 1.00 0.00 C ATOM 456 C ARG A 30 0.409 -9.934 -0.627 1.00 0.00 C ATOM 457 O ARG A 30 0.304 -11.117 -0.951 1.00 0.00 O ATOM 458 CB ARG A 30 2.571 -9.476 0.577 1.00 0.00 C ATOM 459 CG ARG A 30 2.817 -10.942 0.899 1.00 0.00 C ATOM 460 CD ARG A 30 3.723 -11.171 2.054 1.00 0.00 C ATOM 461 NE ARG A 30 3.846 -12.563 2.455 1.00 0.00 N ATOM 462 CZ ARG A 30 4.531 -12.990 3.535 1.00 0.00 C ATOM 463 NH1 ARG A 30 5.186 -12.145 4.300 1.00 0.00 N ATOM 464 NH2 ARG A 30 4.548 -14.287 3.790 1.00 0.00 N ATOM 0 H ARG A 30 2.039 -7.189 -0.278 1.00 0.00 H new ATOM 0 HA ARG A 30 2.323 -9.651 -1.512 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.534 -8.975 0.476 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.058 -9.015 1.421 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.860 -11.423 1.102 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.238 -11.429 0.020 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.713 -10.789 1.805 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.362 -10.591 2.904 1.00 0.00 H new ATOM 0 HE ARG A 30 3.382 -13.265 1.879 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.181 -11.149 4.080 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.699 -12.485 5.113 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.052 -14.934 3.177 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.057 -14.641 4.600 1.00 0.00 H new ATOM 478 N LEU A 31 -0.621 -9.201 -0.215 1.00 0.00 N ATOM 479 CA LEU A 31 -1.960 -9.765 -0.092 1.00 0.00 C ATOM 480 C LEU A 31 -2.531 -10.131 -1.455 1.00 0.00 C ATOM 481 O LEU A 31 -3.352 -11.041 -1.571 1.00 0.00 O ATOM 482 CB LEU A 31 -2.887 -8.776 0.626 1.00 0.00 C ATOM 483 CG LEU A 31 -2.528 -8.490 2.091 1.00 0.00 C ATOM 484 CD1 LEU A 31 -3.390 -7.355 2.627 1.00 0.00 C ATOM 485 CD2 LEU A 31 -2.721 -9.752 2.917 1.00 0.00 C ATOM 0 H LEU A 31 -0.554 -8.215 0.039 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.889 -10.678 0.499 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.883 -7.834 0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.905 -9.163 0.587 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.484 -8.185 2.158 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.128 -7.159 3.667 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.218 -6.457 2.034 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.441 -7.636 2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.466 -9.549 3.957 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.761 -10.072 2.854 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.075 -10.541 2.533 1.00 0.00 H new ATOM 497 N THR A 32 -2.091 -9.417 -2.487 1.00 0.00 N ATOM 498 CA THR A 32 -2.537 -9.685 -3.849 1.00 0.00 C ATOM 499 C THR A 32 -1.355 -9.923 -4.779 1.00 0.00 C ATOM 500 O THR A 32 -1.494 -9.872 -6.001 1.00 0.00 O ATOM 501 CB THR A 32 -3.387 -8.525 -4.402 1.00 0.00 C ATOM 502 OG1 THR A 32 -2.633 -7.308 -4.348 1.00 0.00 O ATOM 503 CG2 THR A 32 -4.663 -8.364 -3.590 1.00 0.00 C ATOM 0 H THR A 32 -1.426 -8.648 -2.405 1.00 0.00 H new ATOM 0 HA THR A 32 -3.149 -10.586 -3.808 1.00 0.00 H new ATOM 0 HB THR A 32 -3.652 -8.750 -5.435 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.174 -6.572 -4.702 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.251 -7.540 -3.995 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.245 -9.284 -3.641 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.409 -8.152 -2.551 1.00 0.00 H new ATOM 511 N GLY A 33 -0.191 -10.183 -4.193 1.00 0.00 N ATOM 512 CA GLY A 33 1.038 -10.331 -4.963 1.00 0.00 C ATOM 513 C GLY A 33 1.332 -11.797 -5.256 1.00 0.00 C ATOM 514 O GLY A 33 2.466 -12.163 -5.564 1.00 0.00 O ATOM 0 H GLY A 33 -0.073 -10.296 -3.186 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.952 -9.780 -5.900 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.870 -9.894 -4.412 1.00 0.00 H new ATOM 518 N GLU A 34 0.304 -12.633 -5.156 1.00 0.00 N ATOM 519 CA GLU A 34 0.442 -14.055 -5.444 1.00 0.00 C ATOM 520 C GLU A 34 0.664 -14.296 -6.931 1.00 0.00 C ATOM 521 O GLU A 34 1.377 -15.221 -7.320 1.00 0.00 O ATOM 522 CB GLU A 34 -0.793 -14.822 -4.966 1.00 0.00 C ATOM 523 CG GLU A 34 -0.937 -14.900 -3.452 1.00 0.00 C ATOM 524 CD GLU A 34 -2.224 -15.573 -3.061 1.00 0.00 C ATOM 525 OE1 GLU A 34 -2.993 -15.895 -3.933 1.00 0.00 O ATOM 526 OE2 GLU A 34 -2.387 -15.866 -1.899 1.00 0.00 O ATOM 0 H GLU A 34 -0.635 -12.349 -4.877 1.00 0.00 H new ATOM 0 HA GLU A 34 1.316 -14.421 -4.905 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.683 -14.348 -5.380 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.755 -15.834 -5.368 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.094 -15.449 -3.032 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.906 -13.896 -3.029 1.00 0.00 H new ATOM 533 N GLN A 35 0.048 -13.460 -7.760 1.00 0.00 N ATOM 534 CA GLN A 35 0.151 -13.601 -9.207 1.00 0.00 C ATOM 535 C GLN A 35 0.996 -12.485 -9.810 1.00 0.00 C ATOM 536 O GLN A 35 1.220 -12.447 -11.020 1.00 0.00 O ATOM 537 CB GLN A 35 -1.240 -13.598 -9.847 1.00 0.00 C ATOM 538 CG GLN A 35 -2.114 -14.771 -9.438 1.00 0.00 C ATOM 539 CD GLN A 35 -3.487 -14.720 -10.080 1.00 0.00 C ATOM 540 OE1 GLN A 35 -3.751 -13.885 -10.950 1.00 0.00 O ATOM 541 NE2 GLN A 35 -4.373 -15.614 -9.653 1.00 0.00 N ATOM 0 H GLN A 35 -0.529 -12.677 -7.453 1.00 0.00 H new ATOM 0 HA GLN A 35 0.638 -14.554 -9.413 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.748 -12.671 -9.582 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.129 -13.602 -10.931 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -1.621 -15.702 -9.715 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -2.223 -14.779 -8.353 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -4.112 -16.286 -8.932 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -5.314 -15.628 -10.047 1.00 0.00 H new ATOM 550 N LEU A 36 1.462 -11.577 -8.959 1.00 0.00 N ATOM 551 CA LEU A 36 2.220 -10.417 -9.415 1.00 0.00 C ATOM 552 C LEU A 36 3.720 -10.672 -9.330 1.00 0.00 C ATOM 553 O LEU A 36 4.187 -11.398 -8.453 1.00 0.00 O ATOM 554 CB LEU A 36 1.841 -9.180 -8.592 1.00 0.00 C ATOM 555 CG LEU A 36 0.359 -8.784 -8.653 1.00 0.00 C ATOM 556 CD1 LEU A 36 0.097 -7.602 -7.730 1.00 0.00 C ATOM 557 CD2 LEU A 36 -0.017 -8.443 -10.087 1.00 0.00 C ATOM 0 H LEU A 36 1.328 -11.622 -7.949 1.00 0.00 H new ATOM 0 HA LEU A 36 1.969 -10.237 -10.460 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.110 -9.359 -7.551 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.440 -8.337 -8.936 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.256 -9.620 -8.319 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.957 -7.328 -7.780 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.353 -7.876 -6.706 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.707 -6.754 -8.042 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.069 -8.162 -10.130 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.595 -7.611 -10.436 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.153 -9.311 -10.724 1.00 0.00 H new ATOM 569 N THR A 37 4.470 -10.068 -10.246 1.00 0.00 N ATOM 570 CA THR A 37 5.925 -10.131 -10.206 1.00 0.00 C ATOM 571 C THR A 37 6.504 -8.981 -9.391 1.00 0.00 C ATOM 572 O THR A 37 5.781 -8.072 -8.983 1.00 0.00 O ATOM 573 CB THR A 37 6.531 -10.099 -11.622 1.00 0.00 C ATOM 574 OG1 THR A 37 6.288 -8.818 -12.219 1.00 0.00 O ATOM 575 CG2 THR A 37 5.915 -11.184 -12.490 1.00 0.00 C ATOM 0 H THR A 37 4.093 -9.529 -11.026 1.00 0.00 H new ATOM 0 HA THR A 37 6.185 -11.077 -9.730 1.00 0.00 H new ATOM 0 HB THR A 37 7.604 -10.275 -11.546 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.675 -8.798 -13.119 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.355 -11.146 -13.487 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.108 -12.160 -12.045 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.839 -11.025 -12.562 1.00 0.00 H new ATOM 583 N ASP A 38 7.811 -9.026 -9.158 1.00 0.00 N ATOM 584 CA ASP A 38 8.509 -7.936 -8.489 1.00 0.00 C ATOM 585 C ASP A 38 8.398 -6.641 -9.285 1.00 0.00 C ATOM 586 O ASP A 38 8.312 -5.555 -8.712 1.00 0.00 O ATOM 587 CB ASP A 38 9.980 -8.293 -8.270 1.00 0.00 C ATOM 588 CG ASP A 38 10.219 -9.331 -7.181 1.00 0.00 C ATOM 589 OD1 ASP A 38 9.306 -9.608 -6.441 1.00 0.00 O ATOM 590 OD2 ASP A 38 11.257 -9.949 -7.195 1.00 0.00 O ATOM 0 H ASP A 38 8.409 -9.808 -9.424 1.00 0.00 H new ATOM 0 HA ASP A 38 8.035 -7.783 -7.519 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.395 -8.665 -9.207 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.528 -7.385 -8.017 1.00 0.00 H new ATOM 595 N GLU A 39 8.402 -6.763 -10.607 1.00 0.00 N ATOM 596 CA GLU A 39 8.225 -5.612 -11.485 1.00 0.00 C ATOM 597 C GLU A 39 6.808 -5.062 -11.392 1.00 0.00 C ATOM 598 O GLU A 39 6.602 -3.847 -11.385 1.00 0.00 O ATOM 599 CB GLU A 39 8.550 -5.986 -12.933 1.00 0.00 C ATOM 600 CG GLU A 39 10.025 -6.256 -13.196 1.00 0.00 C ATOM 601 CD GLU A 39 10.248 -6.744 -14.601 1.00 0.00 C ATOM 602 OE1 GLU A 39 9.284 -6.928 -15.306 1.00 0.00 O ATOM 603 OE2 GLU A 39 11.383 -6.827 -15.006 1.00 0.00 O ATOM 0 H GLU A 39 8.526 -7.650 -11.096 1.00 0.00 H new ATOM 0 HA GLU A 39 8.915 -4.834 -11.158 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.977 -6.873 -13.204 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.218 -5.180 -13.587 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.599 -5.345 -13.030 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.393 -6.998 -12.488 1.00 0.00 H new ATOM 610 N ASP A 40 5.832 -5.961 -11.319 1.00 0.00 N ATOM 611 CA ASP A 40 4.439 -5.567 -11.147 1.00 0.00 C ATOM 612 C ASP A 40 4.252 -4.749 -9.876 1.00 0.00 C ATOM 613 O ASP A 40 3.525 -3.755 -9.868 1.00 0.00 O ATOM 614 CB ASP A 40 3.534 -6.801 -11.115 1.00 0.00 C ATOM 615 CG ASP A 40 3.382 -7.505 -12.457 1.00 0.00 C ATOM 616 OD1 ASP A 40 3.700 -6.908 -13.458 1.00 0.00 O ATOM 617 OD2 ASP A 40 3.101 -8.680 -12.462 1.00 0.00 O ATOM 0 H ASP A 40 5.981 -6.968 -11.376 1.00 0.00 H new ATOM 0 HA ASP A 40 4.160 -4.945 -11.998 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.933 -7.510 -10.390 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.547 -6.504 -10.761 1.00 0.00 H new ATOM 622 N VAL A 41 4.910 -5.172 -8.803 1.00 0.00 N ATOM 623 CA VAL A 41 4.834 -4.466 -7.529 1.00 0.00 C ATOM 624 C VAL A 41 5.322 -3.030 -7.666 1.00 0.00 C ATOM 625 O VAL A 41 4.666 -2.095 -7.207 1.00 0.00 O ATOM 626 CB VAL A 41 5.658 -5.176 -6.438 1.00 0.00 C ATOM 627 CG1 VAL A 41 5.757 -4.307 -5.194 1.00 0.00 C ATOM 628 CG2 VAL A 41 5.041 -6.524 -6.097 1.00 0.00 C ATOM 0 H VAL A 41 5.503 -6.002 -8.790 1.00 0.00 H new ATOM 0 HA VAL A 41 3.785 -4.464 -7.234 1.00 0.00 H new ATOM 0 HB VAL A 41 6.664 -5.344 -6.822 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.342 -4.825 -4.434 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.243 -3.364 -5.446 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.757 -4.108 -4.808 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.636 -7.012 -5.325 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.024 -6.377 -5.733 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.020 -7.151 -6.989 1.00 0.00 H new ATOM 638 N ASP A 42 6.479 -2.860 -8.298 1.00 0.00 N ATOM 639 CA ASP A 42 7.067 -1.539 -8.479 1.00 0.00 C ATOM 640 C ASP A 42 6.194 -0.665 -9.371 1.00 0.00 C ATOM 641 O ASP A 42 6.065 0.537 -9.142 1.00 0.00 O ATOM 642 CB ASP A 42 8.473 -1.655 -9.072 1.00 0.00 C ATOM 643 CG ASP A 42 9.529 -2.153 -8.095 1.00 0.00 C ATOM 644 OD1 ASP A 42 9.252 -2.188 -6.919 1.00 0.00 O ATOM 645 OD2 ASP A 42 10.540 -2.641 -8.540 1.00 0.00 O ATOM 0 H ASP A 42 7.028 -3.623 -8.694 1.00 0.00 H new ATOM 0 HA ASP A 42 7.134 -1.067 -7.499 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.439 -2.331 -9.927 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.777 -0.679 -9.449 1.00 0.00 H new ATOM 650 N GLU A 43 5.596 -1.277 -10.387 1.00 0.00 N ATOM 651 CA GLU A 43 4.722 -0.558 -11.306 1.00 0.00 C ATOM 652 C GLU A 43 3.477 -0.044 -10.594 1.00 0.00 C ATOM 653 O GLU A 43 3.054 1.093 -10.805 1.00 0.00 O ATOM 654 CB GLU A 43 4.323 -1.456 -12.479 1.00 0.00 C ATOM 655 CG GLU A 43 5.437 -1.705 -13.487 1.00 0.00 C ATOM 656 CD GLU A 43 5.033 -2.735 -14.504 1.00 0.00 C ATOM 657 OE1 GLU A 43 3.967 -3.287 -14.373 1.00 0.00 O ATOM 658 OE2 GLU A 43 5.736 -2.890 -15.475 1.00 0.00 O ATOM 0 H GLU A 43 5.701 -2.270 -10.595 1.00 0.00 H new ATOM 0 HA GLU A 43 5.275 0.300 -11.689 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.983 -2.415 -12.088 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.476 -1.004 -12.996 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.689 -0.772 -13.991 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.334 -2.038 -12.966 1.00 0.00 H new ATOM 665 N ILE A 44 2.892 -0.889 -9.751 1.00 0.00 N ATOM 666 CA ILE A 44 1.700 -0.518 -8.998 1.00 0.00 C ATOM 667 C ILE A 44 1.997 0.606 -8.015 1.00 0.00 C ATOM 668 O ILE A 44 1.206 1.538 -7.866 1.00 0.00 O ATOM 669 CB ILE A 44 1.121 -1.721 -8.231 1.00 0.00 C ATOM 670 CG1 ILE A 44 0.559 -2.758 -9.207 1.00 0.00 C ATOM 671 CG2 ILE A 44 0.043 -1.261 -7.260 1.00 0.00 C ATOM 672 CD1 ILE A 44 0.240 -4.090 -8.566 1.00 0.00 C ATOM 0 H ILE A 44 3.225 -1.836 -9.572 1.00 0.00 H new ATOM 0 HA ILE A 44 0.963 -0.174 -9.724 1.00 0.00 H new ATOM 0 HB ILE A 44 1.924 -2.187 -7.660 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.347 -2.359 -9.664 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.279 -2.915 -10.010 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.357 -2.123 -6.725 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.472 -0.558 -6.546 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.760 -0.772 -7.812 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.153 -4.772 -9.320 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.147 -4.512 -8.133 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.504 -3.948 -7.782 1.00 0.00 H new ATOM 684 N PHE A 45 3.141 0.513 -7.345 1.00 0.00 N ATOM 685 CA PHE A 45 3.577 1.557 -6.426 1.00 0.00 C ATOM 686 C PHE A 45 3.673 2.905 -7.129 1.00 0.00 C ATOM 687 O PHE A 45 3.164 3.911 -6.636 1.00 0.00 O ATOM 688 CB PHE A 45 4.925 1.191 -5.802 1.00 0.00 C ATOM 689 CG PHE A 45 5.415 2.187 -4.791 1.00 0.00 C ATOM 690 CD1 PHE A 45 4.939 2.167 -3.488 1.00 0.00 C ATOM 691 CD2 PHE A 45 6.353 3.147 -5.140 1.00 0.00 C ATOM 692 CE1 PHE A 45 5.390 3.083 -2.557 1.00 0.00 C ATOM 693 CE2 PHE A 45 6.806 4.064 -4.210 1.00 0.00 C ATOM 694 CZ PHE A 45 6.323 4.031 -2.917 1.00 0.00 C ATOM 0 H PHE A 45 3.783 -0.276 -7.422 1.00 0.00 H new ATOM 0 HA PHE A 45 2.831 1.639 -5.635 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.841 0.215 -5.325 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.668 1.096 -6.594 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.208 1.427 -3.198 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.734 3.179 -6.150 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.011 3.056 -1.546 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.537 4.806 -4.495 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.676 4.747 -2.189 1.00 0.00 H new ATOM 704 N GLY A 46 4.332 2.919 -8.283 1.00 0.00 N ATOM 705 CA GLY A 46 4.518 4.148 -9.044 1.00 0.00 C ATOM 706 C GLY A 46 3.193 4.669 -9.583 1.00 0.00 C ATOM 707 O GLY A 46 2.958 5.877 -9.619 1.00 0.00 O ATOM 0 H GLY A 46 4.747 2.092 -8.712 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.978 4.905 -8.409 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.204 3.966 -9.872 1.00 0.00 H new ATOM 711 N ASP A 47 2.329 3.751 -10.003 1.00 0.00 N ATOM 712 CA ASP A 47 1.025 4.116 -10.543 1.00 0.00 C ATOM 713 C ASP A 47 0.154 4.775 -9.482 1.00 0.00 C ATOM 714 O ASP A 47 -0.558 5.741 -9.760 1.00 0.00 O ATOM 715 CB ASP A 47 0.317 2.885 -11.114 1.00 0.00 C ATOM 716 CG ASP A 47 0.872 2.402 -12.448 1.00 0.00 C ATOM 717 OD1 ASP A 47 1.631 3.124 -13.049 1.00 0.00 O ATOM 718 OD2 ASP A 47 0.660 1.260 -12.777 1.00 0.00 O ATOM 0 H ASP A 47 2.509 2.747 -9.980 1.00 0.00 H new ATOM 0 HA ASP A 47 1.187 4.835 -11.346 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.386 2.073 -10.390 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.742 3.114 -11.236 1.00 0.00 H new ATOM 723 N SER A 48 0.213 4.249 -8.263 1.00 0.00 N ATOM 724 CA SER A 48 -0.525 4.820 -7.144 1.00 0.00 C ATOM 725 C SER A 48 0.058 6.165 -6.728 1.00 0.00 C ATOM 726 O SER A 48 -0.675 7.090 -6.380 1.00 0.00 O ATOM 727 CB SER A 48 -0.525 3.858 -5.972 1.00 0.00 C ATOM 728 OG SER A 48 -1.168 4.396 -4.849 1.00 0.00 O ATOM 0 H SER A 48 0.766 3.426 -8.025 1.00 0.00 H new ATOM 0 HA SER A 48 -1.553 4.986 -7.465 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.020 2.932 -6.264 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.503 3.602 -5.713 1.00 0.00 H new ATOM 0 HG SER A 48 -2.010 4.816 -5.124 1.00 0.00 H new ATOM 734 N ASP A 49 1.382 6.266 -6.767 1.00 0.00 N ATOM 735 CA ASP A 49 2.065 7.506 -6.419 1.00 0.00 C ATOM 736 C ASP A 49 1.894 8.555 -7.511 1.00 0.00 C ATOM 737 O ASP A 49 2.819 8.822 -8.279 1.00 0.00 O ATOM 738 CB ASP A 49 3.553 7.247 -6.167 1.00 0.00 C ATOM 739 CG ASP A 49 4.325 8.456 -5.655 1.00 0.00 C ATOM 740 OD1 ASP A 49 3.701 9.428 -5.302 1.00 0.00 O ATOM 741 OD2 ASP A 49 5.514 8.343 -5.475 1.00 0.00 O ATOM 0 H ASP A 49 2.004 5.504 -7.036 1.00 0.00 H new ATOM 0 HA ASP A 49 1.613 7.889 -5.504 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.651 6.436 -5.445 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.012 6.905 -7.095 1.00 0.00 H new ATOM 746 N THR A 50 0.707 9.147 -7.573 1.00 0.00 N ATOM 747 CA THR A 50 0.398 10.136 -8.599 1.00 0.00 C ATOM 748 C THR A 50 1.259 11.383 -8.441 1.00 0.00 C ATOM 749 O THR A 50 1.704 11.970 -9.427 1.00 0.00 O ATOM 750 CB THR A 50 -1.087 10.542 -8.563 1.00 0.00 C ATOM 751 OG1 THR A 50 -1.905 9.395 -8.827 1.00 0.00 O ATOM 752 CG2 THR A 50 -1.372 11.614 -9.605 1.00 0.00 C ATOM 0 H THR A 50 -0.058 8.959 -6.925 1.00 0.00 H new ATOM 0 HA THR A 50 0.615 9.669 -9.560 1.00 0.00 H new ATOM 0 HB THR A 50 -1.316 10.940 -7.574 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.850 9.654 -8.802 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.426 11.889 -9.565 1.00 0.00 H new ATOM 0 HG22 THR A 50 -0.760 12.492 -9.400 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.134 11.230 -10.597 1.00 0.00 H new ATOM 760 N ASP A 51 1.489 11.783 -7.195 1.00 0.00 N ATOM 761 CA ASP A 51 2.243 12.995 -6.906 1.00 0.00 C ATOM 762 C ASP A 51 3.740 12.769 -7.082 1.00 0.00 C ATOM 763 O ASP A 51 4.527 13.716 -7.063 1.00 0.00 O ATOM 764 CB ASP A 51 1.949 13.486 -5.486 1.00 0.00 C ATOM 765 CG ASP A 51 0.555 14.067 -5.297 1.00 0.00 C ATOM 766 OD1 ASP A 51 -0.092 14.340 -6.281 1.00 0.00 O ATOM 767 OD2 ASP A 51 0.087 14.087 -4.184 1.00 0.00 O ATOM 0 H ASP A 51 1.163 11.283 -6.368 1.00 0.00 H new ATOM 0 HA ASP A 51 1.928 13.759 -7.617 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.080 12.655 -4.793 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.685 14.244 -5.217 1.00 0.00 H new ATOM 772 N LYS A 52 4.126 11.510 -7.253 1.00 0.00 N ATOM 773 CA LYS A 52 5.527 11.159 -7.450 1.00 0.00 C ATOM 774 C LYS A 52 6.391 11.682 -6.309 1.00 0.00 C ATOM 775 O LYS A 52 7.464 12.242 -6.538 1.00 0.00 O ATOM 776 CB LYS A 52 6.033 11.703 -8.787 1.00 0.00 C ATOM 777 CG LYS A 52 5.299 11.160 -10.005 1.00 0.00 C ATOM 778 CD LYS A 52 5.859 11.744 -11.294 1.00 0.00 C ATOM 779 CE LYS A 52 5.088 11.248 -12.508 1.00 0.00 C ATOM 780 NZ LYS A 52 5.573 11.873 -13.768 1.00 0.00 N ATOM 0 H LYS A 52 3.488 10.715 -7.259 1.00 0.00 H new ATOM 0 HA LYS A 52 5.600 10.072 -7.461 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.946 12.789 -8.780 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.093 11.469 -8.883 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.383 10.074 -10.029 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.238 11.396 -9.928 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.814 12.832 -11.252 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.910 11.472 -11.392 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.183 10.165 -12.580 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.028 11.467 -12.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.022 11.508 -14.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.459 12.905 -13.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.578 11.643 -13.905 1.00 0.00 H new ATOM 794 N ASN A 53 5.918 11.496 -5.082 1.00 0.00 N ATOM 795 CA ASN A 53 6.633 11.976 -3.905 1.00 0.00 C ATOM 796 C ASN A 53 7.412 10.850 -3.238 1.00 0.00 C ATOM 797 O ASN A 53 8.223 11.089 -2.343 1.00 0.00 O ATOM 798 CB ASN A 53 5.690 12.623 -2.908 1.00 0.00 C ATOM 799 CG ASN A 53 5.130 13.940 -3.371 1.00 0.00 C ATOM 800 OD1 ASN A 53 5.763 14.669 -4.144 1.00 0.00 O ATOM 801 ND2 ASN A 53 3.984 14.285 -2.841 1.00 0.00 N ATOM 0 H ASN A 53 5.042 11.016 -4.876 1.00 0.00 H new ATOM 0 HA ASN A 53 7.340 12.733 -4.244 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.866 11.939 -2.705 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.219 12.774 -1.967 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.573 15.192 -3.060 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.502 13.646 -2.209 1.00 0.00 H new ATOM 808 N GLY A 54 7.163 9.622 -3.678 1.00 0.00 N ATOM 809 CA GLY A 54 7.795 8.451 -3.083 1.00 0.00 C ATOM 810 C GLY A 54 7.026 7.972 -1.858 1.00 0.00 C ATOM 811 O GLY A 54 7.524 7.160 -1.079 1.00 0.00 O ATOM 0 H GLY A 54 6.526 9.411 -4.447 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.847 7.649 -3.819 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.820 8.692 -2.801 1.00 0.00 H new ATOM 815 N ARG A 55 5.809 8.480 -1.693 1.00 0.00 N ATOM 816 CA ARG A 55 5.010 8.186 -0.510 1.00 0.00 C ATOM 817 C ARG A 55 3.586 7.802 -0.890 1.00 0.00 C ATOM 818 O ARG A 55 3.009 8.362 -1.822 1.00 0.00 O ATOM 819 CB ARG A 55 5.030 9.328 0.495 1.00 0.00 C ATOM 820 CG ARG A 55 6.405 9.674 1.043 1.00 0.00 C ATOM 821 CD ARG A 55 6.409 10.780 2.035 1.00 0.00 C ATOM 822 NE ARG A 55 7.726 11.128 2.543 1.00 0.00 N ATOM 823 CZ ARG A 55 7.969 12.126 3.416 1.00 0.00 C ATOM 824 NH1 ARG A 55 6.999 12.900 3.848 1.00 0.00 N ATOM 825 NH2 ARG A 55 9.217 12.323 3.806 1.00 0.00 N ATOM 0 H ARG A 55 5.354 9.098 -2.365 1.00 0.00 H new ATOM 0 HA ARG A 55 5.468 7.327 -0.019 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.609 10.216 0.023 1.00 0.00 H new ATOM 0 HB3 ARG A 55 4.377 9.070 1.329 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.832 8.785 1.506 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.056 9.945 0.212 1.00 0.00 H new ATOM 0 HD2 ARG A 55 5.965 11.664 1.577 1.00 0.00 H new ATOM 0 HD3 ARG A 55 5.772 10.501 2.874 1.00 0.00 H new ATOM 0 HE ARG A 55 8.521 10.579 2.216 1.00 0.00 H new ATOM 0 HH11 ARG A 55 6.044 12.750 3.523 1.00 0.00 H new ATOM 0 HH12 ARG A 55 7.201 13.650 4.509 1.00 0.00 H new ATOM 0 HH21 ARG A 55 9.963 11.728 3.447 1.00 0.00 H new ATOM 0 HH22 ARG A 55 9.433 13.070 4.466 1.00 0.00 H new ATOM 839 N ILE A 56 3.022 6.843 -0.162 1.00 0.00 N ATOM 840 CA ILE A 56 1.625 6.467 -0.339 1.00 0.00 C ATOM 841 C ILE A 56 0.767 6.978 0.811 1.00 0.00 C ATOM 842 O ILE A 56 1.026 6.672 1.974 1.00 0.00 O ATOM 843 CB ILE A 56 1.461 4.941 -0.452 1.00 0.00 C ATOM 844 CG1 ILE A 56 2.313 4.395 -1.601 1.00 0.00 C ATOM 845 CG2 ILE A 56 -0.002 4.576 -0.649 1.00 0.00 C ATOM 846 CD1 ILE A 56 1.950 4.966 -2.954 1.00 0.00 C ATOM 0 H ILE A 56 3.513 6.312 0.557 1.00 0.00 H new ATOM 0 HA ILE A 56 1.291 6.928 -1.269 1.00 0.00 H new ATOM 0 HB ILE A 56 1.805 4.486 0.477 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.362 4.608 -1.396 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.209 3.310 -1.635 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.100 3.493 -0.727 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.584 4.932 0.201 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.373 5.040 -1.563 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.596 4.532 -3.717 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.910 4.730 -3.182 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.082 6.048 -2.939 1.00 0.00 H new ATOM 858 N ASP A 57 -0.257 7.756 0.478 1.00 0.00 N ATOM 859 CA ASP A 57 -1.141 8.332 1.484 1.00 0.00 C ATOM 860 C ASP A 57 -2.308 7.399 1.789 1.00 0.00 C ATOM 861 O ASP A 57 -2.403 6.306 1.232 1.00 0.00 O ATOM 862 CB ASP A 57 -1.664 9.694 1.024 1.00 0.00 C ATOM 863 CG ASP A 57 -2.559 9.641 -0.207 1.00 0.00 C ATOM 864 OD1 ASP A 57 -2.940 8.563 -0.595 1.00 0.00 O ATOM 865 OD2 ASP A 57 -2.982 10.681 -0.654 1.00 0.00 O ATOM 0 H ASP A 57 -0.495 8.002 -0.483 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.562 8.467 2.398 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.219 10.152 1.843 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.814 10.343 0.813 1.00 0.00 H new ATOM 870 N PHE A 58 -3.193 7.838 2.676 1.00 0.00 N ATOM 871 CA PHE A 58 -4.288 6.998 3.148 1.00 0.00 C ATOM 872 C PHE A 58 -5.324 6.778 2.053 1.00 0.00 C ATOM 873 O PHE A 58 -5.884 5.690 1.925 1.00 0.00 O ATOM 874 CB PHE A 58 -4.946 7.620 4.380 1.00 0.00 C ATOM 875 CG PHE A 58 -6.050 6.785 4.963 1.00 0.00 C ATOM 876 CD1 PHE A 58 -5.777 5.555 5.543 1.00 0.00 C ATOM 877 CD2 PHE A 58 -7.364 7.226 4.932 1.00 0.00 C ATOM 878 CE1 PHE A 58 -6.792 4.786 6.080 1.00 0.00 C ATOM 879 CE2 PHE A 58 -8.381 6.460 5.469 1.00 0.00 C ATOM 880 CZ PHE A 58 -8.094 5.238 6.043 1.00 0.00 C ATOM 0 H PHE A 58 -3.174 8.773 3.084 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.872 6.028 3.422 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.185 7.784 5.143 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -5.345 8.598 4.112 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.760 5.194 5.575 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.596 8.180 4.482 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -6.565 3.830 6.529 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -9.400 6.817 5.440 1.00 0.00 H new ATOM 0 HZ PHE A 58 -8.888 4.637 6.462 1.00 0.00 H new ATOM 890 N ASP A 59 -5.575 7.819 1.267 1.00 0.00 N ATOM 891 CA ASP A 59 -6.531 7.736 0.168 1.00 0.00 C ATOM 892 C ASP A 59 -6.155 6.626 -0.806 1.00 0.00 C ATOM 893 O ASP A 59 -7.011 5.865 -1.255 1.00 0.00 O ATOM 894 CB ASP A 59 -6.618 9.074 -0.569 1.00 0.00 C ATOM 895 CG ASP A 59 -7.355 10.167 0.195 1.00 0.00 C ATOM 896 OD1 ASP A 59 -7.993 9.854 1.172 1.00 0.00 O ATOM 897 OD2 ASP A 59 -7.148 11.318 -0.106 1.00 0.00 O ATOM 0 H ASP A 59 -5.130 8.731 1.370 1.00 0.00 H new ATOM 0 HA ASP A 59 -7.507 7.502 0.593 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.608 9.420 -0.790 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.117 8.916 -1.525 1.00 0.00 H new ATOM 902 N GLU A 60 -4.868 6.539 -1.127 1.00 0.00 N ATOM 903 CA GLU A 60 -4.370 5.498 -2.017 1.00 0.00 C ATOM 904 C GLU A 60 -4.319 4.148 -1.313 1.00 0.00 C ATOM 905 O GLU A 60 -4.557 3.107 -1.925 1.00 0.00 O ATOM 906 CB GLU A 60 -2.984 5.865 -2.550 1.00 0.00 C ATOM 907 CG GLU A 60 -2.975 7.023 -3.537 1.00 0.00 C ATOM 908 CD GLU A 60 -3.834 6.726 -4.735 1.00 0.00 C ATOM 909 OE1 GLU A 60 -3.656 5.688 -5.327 1.00 0.00 O ATOM 910 OE2 GLU A 60 -4.741 7.482 -4.993 1.00 0.00 O ATOM 0 H GLU A 60 -4.151 7.178 -0.783 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.062 5.419 -2.855 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.339 6.117 -1.708 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.550 4.989 -3.033 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.334 7.926 -3.044 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.953 7.221 -3.860 1.00 0.00 H new ATOM 917 N PHE A 61 -4.007 4.173 -0.021 1.00 0.00 N ATOM 918 CA PHE A 61 -4.035 2.967 0.798 1.00 0.00 C ATOM 919 C PHE A 61 -5.395 2.284 0.725 1.00 0.00 C ATOM 920 O PHE A 61 -5.481 1.064 0.582 1.00 0.00 O ATOM 921 CB PHE A 61 -3.690 3.298 2.251 1.00 0.00 C ATOM 922 CG PHE A 61 -3.826 2.131 3.187 1.00 0.00 C ATOM 923 CD1 PHE A 61 -2.783 1.233 3.354 1.00 0.00 C ATOM 924 CD2 PHE A 61 -4.996 1.929 3.902 1.00 0.00 C ATOM 925 CE1 PHE A 61 -2.906 0.159 4.215 1.00 0.00 C ATOM 926 CE2 PHE A 61 -5.122 0.858 4.764 1.00 0.00 C ATOM 927 CZ PHE A 61 -4.075 -0.028 4.920 1.00 0.00 C ATOM 0 H PHE A 61 -3.732 5.017 0.482 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.286 2.279 0.405 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.667 3.671 2.296 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.338 4.104 2.594 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.864 1.374 2.805 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.819 2.618 3.783 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.086 -0.534 4.335 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.039 0.713 5.316 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.172 -0.867 5.594 1.00 0.00 H new ATOM 937 N LEU A 62 -6.457 3.077 0.825 1.00 0.00 N ATOM 938 CA LEU A 62 -7.815 2.554 0.742 1.00 0.00 C ATOM 939 C LEU A 62 -8.047 1.830 -0.578 1.00 0.00 C ATOM 940 O LEU A 62 -8.674 0.771 -0.615 1.00 0.00 O ATOM 941 CB LEU A 62 -8.831 3.690 0.913 1.00 0.00 C ATOM 942 CG LEU A 62 -8.894 4.304 2.317 1.00 0.00 C ATOM 943 CD1 LEU A 62 -9.803 5.525 2.313 1.00 0.00 C ATOM 944 CD2 LEU A 62 -9.394 3.262 3.307 1.00 0.00 C ATOM 0 H LEU A 62 -6.402 4.086 0.964 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.950 1.833 1.548 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.593 4.479 0.199 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.820 3.313 0.654 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.896 4.623 2.619 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.841 5.954 3.314 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.413 6.266 1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.807 5.230 2.006 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.438 3.699 4.304 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.389 2.928 3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.713 2.411 3.314 1.00 0.00 H new ATOM 956 N LYS A 63 -7.536 2.407 -1.661 1.00 0.00 N ATOM 957 CA LYS A 63 -7.669 1.806 -2.983 1.00 0.00 C ATOM 958 C LYS A 63 -6.920 0.482 -3.065 1.00 0.00 C ATOM 959 O LYS A 63 -7.384 -0.466 -3.698 1.00 0.00 O ATOM 960 CB LYS A 63 -7.160 2.766 -4.060 1.00 0.00 C ATOM 961 CG LYS A 63 -7.997 4.027 -4.226 1.00 0.00 C ATOM 962 CD LYS A 63 -7.384 4.968 -5.252 1.00 0.00 C ATOM 963 CE LYS A 63 -8.096 6.313 -5.266 1.00 0.00 C ATOM 964 NZ LYS A 63 -7.401 7.301 -6.136 1.00 0.00 N ATOM 0 H LYS A 63 -7.026 3.290 -1.649 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.727 1.609 -3.155 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.137 3.053 -3.819 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.127 2.239 -5.013 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.007 3.757 -4.535 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.083 4.538 -3.267 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.328 5.116 -5.027 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.439 4.515 -6.242 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.119 6.178 -5.616 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.155 6.703 -4.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.908 8.208 -6.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.427 7.437 -5.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.382 6.949 -7.114 1.00 0.00 H new ATOM 978 N MET A 64 -5.760 0.424 -2.420 1.00 0.00 N ATOM 979 CA MET A 64 -4.963 -0.797 -2.386 1.00 0.00 C ATOM 980 C MET A 64 -5.690 -1.908 -1.640 1.00 0.00 C ATOM 981 O MET A 64 -5.734 -3.051 -2.097 1.00 0.00 O ATOM 982 CB MET A 64 -3.608 -0.524 -1.737 1.00 0.00 C ATOM 983 CG MET A 64 -2.680 0.355 -2.564 1.00 0.00 C ATOM 984 SD MET A 64 -1.147 0.754 -1.701 1.00 0.00 S ATOM 985 CE MET A 64 -0.339 1.798 -2.911 1.00 0.00 C ATOM 0 H MET A 64 -5.350 1.209 -1.913 1.00 0.00 H new ATOM 0 HA MET A 64 -4.806 -1.127 -3.413 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.771 -0.049 -0.769 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.112 -1.476 -1.546 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.444 -0.152 -3.500 1.00 0.00 H new ATOM 0 HG3 MET A 64 -3.197 1.279 -2.824 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.730 1.836 -2.702 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.500 1.390 -3.909 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.755 2.804 -2.859 1.00 0.00 H new ATOM 995 N MET A 65 -6.259 -1.567 -0.489 1.00 0.00 N ATOM 996 CA MET A 65 -6.968 -2.540 0.334 1.00 0.00 C ATOM 997 C MET A 65 -8.335 -2.868 -0.255 1.00 0.00 C ATOM 998 O MET A 65 -8.910 -3.917 0.035 1.00 0.00 O ATOM 999 CB MET A 65 -7.118 -2.016 1.760 1.00 0.00 C ATOM 1000 CG MET A 65 -5.803 -1.831 2.505 1.00 0.00 C ATOM 1001 SD MET A 65 -4.842 -3.354 2.606 1.00 0.00 S ATOM 1002 CE MET A 65 -5.868 -4.331 3.701 1.00 0.00 C ATOM 0 H MET A 65 -6.243 -0.622 -0.104 1.00 0.00 H new ATOM 0 HA MET A 65 -6.381 -3.458 0.353 1.00 0.00 H new ATOM 0 HB2 MET A 65 -7.642 -1.060 1.730 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.746 -2.706 2.323 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.211 -1.065 2.004 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.008 -1.468 3.512 1.00 0.00 H new ATOM 0 HE1 MET A 65 -5.314 -5.210 4.031 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.148 -3.732 4.568 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.767 -4.646 3.172 1.00 0.00 H new ATOM 1012 N GLU A 66 -8.849 -1.964 -1.081 1.00 0.00 N ATOM 1013 CA GLU A 66 -10.042 -2.241 -1.872 1.00 0.00 C ATOM 1014 C GLU A 66 -9.784 -3.344 -2.891 1.00 0.00 C ATOM 1015 O GLU A 66 -10.628 -4.215 -3.102 1.00 0.00 O ATOM 1016 CB GLU A 66 -10.521 -0.972 -2.582 1.00 0.00 C ATOM 1017 CG GLU A 66 -11.786 -1.153 -3.409 1.00 0.00 C ATOM 1018 CD GLU A 66 -12.210 0.140 -4.048 1.00 0.00 C ATOM 1019 OE1 GLU A 66 -11.552 1.130 -3.836 1.00 0.00 O ATOM 1020 OE2 GLU A 66 -13.127 0.117 -4.836 1.00 0.00 O ATOM 0 H GLU A 66 -8.458 -1.032 -1.220 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.821 -2.582 -1.190 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.697 -0.197 -1.836 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.724 -0.612 -3.233 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.614 -1.903 -4.181 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.588 -1.527 -2.773 1.00 0.00 H new