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 (180deg=-0.131) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 63:sc= 0.542 USER MOD Single : A 8 CYS SG : rot 76:sc= 0.728 USER MOD Single : A 14 LYS NZ :NH3+ 164:sc= 0.953 (180deg=0.787) USER MOD Single : A 17 ASN : amide:sc= -0.015 K(o=-0.015,f=-1.1) USER MOD Single : A 32 THR OG1 : rot -55:sc= 0.694 USER MOD Single : A 35 GLN : amide:sc= -0.0919 X(o=-0.092,f=-0.19) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.367 USER MOD Single : A 48 SER OG : rot -17:sc= 0.64 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= -0.0289 K(o=-0.029,f=-1.2) USER MOD Single : A 63 LYS NZ :NH3+ -177:sc= 0.919 (180deg=0.91) USER MOD Single : A 64 MET CE :methyl 158:sc= -0.344 (180deg=-1.07) USER MOD Single : A 65 MET CE :methyl -167:sc=-0.00441 (180deg=-0.233) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -15.645 -0.935 4.261 1.00 0.00 N ATOM 2 CA SER A 1 -14.304 -1.409 3.940 1.00 0.00 C ATOM 3 C SER A 1 -13.242 -0.441 4.446 1.00 0.00 C ATOM 4 O SER A 1 -12.199 -0.857 4.951 1.00 0.00 O ATOM 5 CB SER A 1 -14.165 -1.610 2.444 1.00 0.00 C ATOM 6 OG SER A 1 -15.077 -2.554 1.952 1.00 0.00 O ATOM 0 H1 SER A 1 -16.334 -1.691 4.075 1.00 0.00 H new ATOM 0 H2 SER A 1 -15.687 -0.667 5.265 1.00 0.00 H new ATOM 0 H3 SER A 1 -15.871 -0.108 3.672 1.00 0.00 H new ATOM 0 HA SER A 1 -14.153 -2.365 4.442 1.00 0.00 H new ATOM 0 HB2 SER A 1 -14.319 -0.658 1.935 1.00 0.00 H new ATOM 0 HB3 SER A 1 -13.150 -1.934 2.215 1.00 0.00 H new ATOM 0 HG SER A 1 -14.956 -2.653 0.985 1.00 0.00 H new ATOM 14 N GLU A 2 -13.513 0.852 4.307 1.00 0.00 N ATOM 15 CA GLU A 2 -12.550 1.882 4.680 1.00 0.00 C ATOM 16 C GLU A 2 -12.261 1.850 6.175 1.00 0.00 C ATOM 17 O GLU A 2 -11.154 2.166 6.611 1.00 0.00 O ATOM 18 CB GLU A 2 -13.060 3.265 4.272 1.00 0.00 C ATOM 19 CG GLU A 2 -13.094 3.504 2.769 1.00 0.00 C ATOM 20 CD GLU A 2 -13.747 4.819 2.441 1.00 0.00 C ATOM 21 OE1 GLU A 2 -14.210 5.473 3.344 1.00 0.00 O ATOM 22 OE2 GLU A 2 -13.684 5.222 1.303 1.00 0.00 O ATOM 0 H GLU A 2 -14.393 1.212 3.938 1.00 0.00 H new ATOM 0 HA GLU A 2 -11.620 1.677 4.149 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -14.065 3.401 4.672 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -12.428 4.023 4.734 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -12.079 3.491 2.373 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -13.637 2.694 2.282 1.00 0.00 H new ATOM 29 N GLU A 3 -13.263 1.466 6.958 1.00 0.00 N ATOM 30 CA GLU A 3 -13.110 1.361 8.404 1.00 0.00 C ATOM 31 C GLU A 3 -12.113 0.271 8.775 1.00 0.00 C ATOM 32 O GLU A 3 -11.387 0.388 9.763 1.00 0.00 O ATOM 33 CB GLU A 3 -14.460 1.087 9.069 1.00 0.00 C ATOM 34 CG GLU A 3 -15.428 2.260 9.034 1.00 0.00 C ATOM 35 CD GLU A 3 -16.766 1.883 9.607 1.00 0.00 C ATOM 36 OE1 GLU A 3 -16.942 0.737 9.949 1.00 0.00 O ATOM 37 OE2 GLU A 3 -17.573 2.760 9.809 1.00 0.00 O ATOM 0 H GLU A 3 -14.192 1.222 6.614 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.725 2.314 8.767 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.926 0.232 8.578 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -14.289 0.804 10.108 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -15.011 3.095 9.597 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -15.553 2.600 8.006 1.00 0.00 H new ATOM 44 N GLU A 4 -12.081 -0.791 7.977 1.00 0.00 N ATOM 45 CA GLU A 4 -11.118 -1.869 8.172 1.00 0.00 C ATOM 46 C GLU A 4 -9.747 -1.486 7.630 1.00 0.00 C ATOM 47 O GLU A 4 -8.719 -1.867 8.190 1.00 0.00 O ATOM 48 CB GLU A 4 -11.609 -3.154 7.504 1.00 0.00 C ATOM 49 CG GLU A 4 -12.850 -3.761 8.144 1.00 0.00 C ATOM 50 CD GLU A 4 -13.302 -4.988 7.402 1.00 0.00 C ATOM 51 OE1 GLU A 4 -12.686 -5.326 6.420 1.00 0.00 O ATOM 52 OE2 GLU A 4 -14.193 -5.652 7.879 1.00 0.00 O ATOM 0 H GLU A 4 -12.712 -0.928 7.188 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.024 -2.043 9.244 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -11.821 -2.946 6.455 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -10.806 -3.891 7.527 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -12.638 -4.018 9.182 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.653 -3.024 8.156 1.00 0.00 H new ATOM 59 N LEU A 5 -9.738 -0.733 6.536 1.00 0.00 N ATOM 60 CA LEU A 5 -8.493 -0.288 5.921 1.00 0.00 C ATOM 61 C LEU A 5 -7.780 0.732 6.799 1.00 0.00 C ATOM 62 O LEU A 5 -6.564 0.899 6.710 1.00 0.00 O ATOM 63 CB LEU A 5 -8.768 0.301 4.532 1.00 0.00 C ATOM 64 CG LEU A 5 -9.245 -0.706 3.479 1.00 0.00 C ATOM 65 CD1 LEU A 5 -9.569 0.015 2.177 1.00 0.00 C ATOM 66 CD2 LEU A 5 -8.168 -1.758 3.257 1.00 0.00 C ATOM 0 H LEU A 5 -10.581 -0.417 6.056 1.00 0.00 H new ATOM 0 HA LEU A 5 -7.840 -1.154 5.814 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -9.520 1.084 4.629 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -7.857 0.777 4.170 1.00 0.00 H new ATOM 0 HG LEU A 5 -10.151 -1.199 3.832 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -9.907 -0.708 1.435 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -10.356 0.749 2.353 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -8.676 0.521 1.810 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -8.507 -2.474 2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -7.254 -1.276 2.910 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -7.970 -2.279 4.194 1.00 0.00 H new ATOM 78 N SER A 6 -8.543 1.414 7.646 1.00 0.00 N ATOM 79 CA SER A 6 -7.970 2.286 8.663 1.00 0.00 C ATOM 80 C SER A 6 -7.027 1.518 9.580 1.00 0.00 C ATOM 81 O SER A 6 -5.982 2.031 9.981 1.00 0.00 O ATOM 82 CB SER A 6 -9.073 2.942 9.471 1.00 0.00 C ATOM 83 OG SER A 6 -9.841 3.823 8.696 1.00 0.00 O ATOM 0 H SER A 6 -9.562 1.379 7.648 1.00 0.00 H new ATOM 0 HA SER A 6 -7.391 3.060 8.159 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.720 2.173 9.893 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.635 3.484 10.309 1.00 0.00 H new ATOM 0 HG SER A 6 -10.297 3.323 7.987 1.00 0.00 H new ATOM 89 N GLU A 7 -7.401 0.287 9.908 1.00 0.00 N ATOM 90 CA GLU A 7 -6.571 -0.569 10.747 1.00 0.00 C ATOM 91 C GLU A 7 -5.397 -1.140 9.961 1.00 0.00 C ATOM 92 O GLU A 7 -4.276 -1.211 10.464 1.00 0.00 O ATOM 93 CB GLU A 7 -7.403 -1.704 11.346 1.00 0.00 C ATOM 94 CG GLU A 7 -8.446 -1.251 12.359 1.00 0.00 C ATOM 95 CD GLU A 7 -9.278 -2.408 12.840 1.00 0.00 C ATOM 96 OE1 GLU A 7 -9.081 -3.497 12.360 1.00 0.00 O ATOM 97 OE2 GLU A 7 -10.033 -2.226 13.766 1.00 0.00 O ATOM 0 H GLU A 7 -8.276 -0.142 9.605 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.174 0.044 11.556 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.906 -2.236 10.538 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -6.732 -2.416 11.827 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.951 -0.778 13.207 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.092 -0.498 11.907 1.00 0.00 H new ATOM 104 N CYS A 8 -5.662 -1.546 8.723 1.00 0.00 N ATOM 105 CA CYS A 8 -4.624 -2.095 7.859 1.00 0.00 C ATOM 106 C CYS A 8 -3.501 -1.090 7.641 1.00 0.00 C ATOM 107 O CYS A 8 -2.324 -1.451 7.640 1.00 0.00 O ATOM 108 CB CYS A 8 -5.376 -2.354 6.553 1.00 0.00 C ATOM 109 SG CYS A 8 -6.630 -3.652 6.655 1.00 0.00 S ATOM 0 H CYS A 8 -6.587 -1.505 8.296 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.147 -2.983 8.273 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -5.855 -1.428 6.234 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -4.655 -2.622 5.781 1.00 0.00 H new ATOM 0 HG CYS A 8 -7.677 -3.196 7.276 1.00 0.00 H new ATOM 115 N PHE A 9 -3.869 0.173 7.457 1.00 0.00 N ATOM 116 CA PHE A 9 -2.891 1.239 7.277 1.00 0.00 C ATOM 117 C PHE A 9 -1.898 1.275 8.431 1.00 0.00 C ATOM 118 O PHE A 9 -0.688 1.361 8.220 1.00 0.00 O ATOM 119 CB PHE A 9 -3.593 2.591 7.144 1.00 0.00 C ATOM 120 CG PHE A 9 -2.651 3.748 6.970 1.00 0.00 C ATOM 121 CD1 PHE A 9 -2.084 4.018 5.733 1.00 0.00 C ATOM 122 CD2 PHE A 9 -2.329 4.568 8.040 1.00 0.00 C ATOM 123 CE1 PHE A 9 -1.217 5.083 5.570 1.00 0.00 C ATOM 124 CE2 PHE A 9 -1.464 5.633 7.881 1.00 0.00 C ATOM 125 CZ PHE A 9 -0.906 5.889 6.645 1.00 0.00 C ATOM 0 H PHE A 9 -4.840 0.484 7.429 1.00 0.00 H new ATOM 0 HA PHE A 9 -2.339 1.035 6.359 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -4.271 2.555 6.292 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.204 2.762 8.031 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.322 3.389 4.888 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.760 4.372 9.011 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.784 5.283 4.601 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.224 6.265 8.723 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.227 6.719 6.520 1.00 0.00 H new ATOM 135 N ARG A 10 -2.416 1.207 9.653 1.00 0.00 N ATOM 136 CA ARG A 10 -1.573 1.208 10.843 1.00 0.00 C ATOM 137 C ARG A 10 -0.714 -0.048 10.911 1.00 0.00 C ATOM 138 O ARG A 10 0.424 -0.009 11.379 1.00 0.00 O ATOM 139 CB ARG A 10 -2.380 1.401 12.119 1.00 0.00 C ATOM 140 CG ARG A 10 -2.968 2.792 12.298 1.00 0.00 C ATOM 141 CD ARG A 10 -3.812 2.948 13.511 1.00 0.00 C ATOM 142 NE ARG A 10 -4.372 4.278 13.688 1.00 0.00 N ATOM 143 CZ ARG A 10 -5.232 4.621 14.668 1.00 0.00 C ATOM 144 NH1 ARG A 10 -5.662 3.731 15.535 1.00 0.00 N ATOM 145 NH2 ARG A 10 -5.651 5.874 14.720 1.00 0.00 N ATOM 0 H ARG A 10 -3.416 1.150 9.845 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.905 2.065 10.761 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.192 0.674 12.132 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.741 1.180 12.974 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.154 3.515 12.341 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.566 3.037 11.420 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.628 2.227 13.466 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.215 2.699 14.388 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.095 5.002 13.025 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.345 2.764 15.472 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.313 4.008 16.270 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.323 6.550 14.030 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.302 6.164 15.450 1.00 0.00 H new ATOM 159 N ILE A 11 -1.267 -1.162 10.444 1.00 0.00 N ATOM 160 CA ILE A 11 -0.540 -2.426 10.417 1.00 0.00 C ATOM 161 C ILE A 11 0.646 -2.358 9.464 1.00 0.00 C ATOM 162 O ILE A 11 1.741 -2.819 9.787 1.00 0.00 O ATOM 163 CB ILE A 11 -1.453 -3.594 10.004 1.00 0.00 C ATOM 164 CG1 ILE A 11 -2.487 -3.876 11.098 1.00 0.00 C ATOM 165 CG2 ILE A 11 -0.627 -4.838 9.716 1.00 0.00 C ATOM 166 CD1 ILE A 11 -3.595 -4.809 10.665 1.00 0.00 C ATOM 0 H ILE A 11 -2.218 -1.215 10.078 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.178 -2.602 11.430 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.983 -3.315 9.093 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.980 -4.306 11.962 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.925 -2.932 11.422 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.288 -5.654 9.425 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.072 -4.631 8.906 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.072 -5.121 10.610 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.288 -4.960 11.493 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.129 -4.373 9.821 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.169 -5.767 10.369 1.00 0.00 H new ATOM 178 N PHE A 12 0.422 -1.781 8.288 1.00 0.00 N ATOM 179 CA PHE A 12 1.442 -1.740 7.248 1.00 0.00 C ATOM 180 C PHE A 12 2.446 -0.624 7.507 1.00 0.00 C ATOM 181 O PHE A 12 3.597 -0.701 7.078 1.00 0.00 O ATOM 182 CB PHE A 12 0.797 -1.558 5.873 1.00 0.00 C ATOM 183 CG PHE A 12 0.015 -2.754 5.408 1.00 0.00 C ATOM 184 CD1 PHE A 12 0.637 -3.981 5.231 1.00 0.00 C ATOM 185 CD2 PHE A 12 -1.343 -2.654 5.146 1.00 0.00 C ATOM 186 CE1 PHE A 12 -0.080 -5.081 4.802 1.00 0.00 C ATOM 187 CE2 PHE A 12 -2.063 -3.753 4.718 1.00 0.00 C ATOM 188 CZ PHE A 12 -1.431 -4.967 4.546 1.00 0.00 C ATOM 0 H PHE A 12 -0.459 -1.335 8.032 1.00 0.00 H new ATOM 0 HA PHE A 12 1.976 -2.690 7.266 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.135 -0.692 5.904 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.576 -1.338 5.143 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.694 -4.077 5.431 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.844 -1.706 5.278 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.417 -6.030 4.667 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.120 -3.661 4.518 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.993 -5.827 4.212 1.00 0.00 H new ATOM 198 N ASP A 13 2.003 0.412 8.211 1.00 0.00 N ATOM 199 CA ASP A 13 2.898 1.473 8.659 1.00 0.00 C ATOM 200 C ASP A 13 3.682 1.047 9.894 1.00 0.00 C ATOM 201 O ASP A 13 3.400 1.495 11.005 1.00 0.00 O ATOM 202 CB ASP A 13 2.110 2.752 8.951 1.00 0.00 C ATOM 203 CG ASP A 13 2.975 3.978 9.211 1.00 0.00 C ATOM 204 OD1 ASP A 13 4.169 3.883 9.052 1.00 0.00 O ATOM 205 OD2 ASP A 13 2.427 5.034 9.416 1.00 0.00 O ATOM 0 H ASP A 13 1.029 0.540 8.484 1.00 0.00 H new ATOM 0 HA ASP A 13 3.608 1.671 7.856 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.452 2.959 8.107 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.473 2.581 9.819 1.00 0.00 H new ATOM 210 N LYS A 14 4.667 0.179 9.693 1.00 0.00 N ATOM 211 CA LYS A 14 5.362 -0.461 10.803 1.00 0.00 C ATOM 212 C LYS A 14 6.311 0.511 11.493 1.00 0.00 C ATOM 213 O LYS A 14 6.674 0.321 12.654 1.00 0.00 O ATOM 214 CB LYS A 14 6.132 -1.691 10.316 1.00 0.00 C ATOM 215 CG LYS A 14 5.250 -2.832 9.827 1.00 0.00 C ATOM 216 CD LYS A 14 6.078 -3.939 9.194 1.00 0.00 C ATOM 217 CE LYS A 14 5.199 -5.080 8.706 1.00 0.00 C ATOM 218 NZ LYS A 14 5.952 -6.037 7.851 1.00 0.00 N ATOM 0 H LYS A 14 5.002 -0.098 8.770 1.00 0.00 H new ATOM 0 HA LYS A 14 4.612 -0.777 11.528 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.798 -1.391 9.507 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.761 -2.056 11.128 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.678 -3.236 10.662 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.531 -2.453 9.101 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.650 -3.535 8.358 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.798 -4.317 9.920 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.783 -5.609 9.563 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.358 -4.675 8.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.413 -6.922 7.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.094 -5.623 6.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.876 -6.236 8.284 1.00 0.00 H new ATOM 232 N ASP A 15 6.711 1.552 10.771 1.00 0.00 N ATOM 233 CA ASP A 15 7.617 2.558 11.313 1.00 0.00 C ATOM 234 C ASP A 15 6.849 3.687 11.986 1.00 0.00 C ATOM 235 O ASP A 15 7.400 4.424 12.804 1.00 0.00 O ATOM 236 CB ASP A 15 8.517 3.118 10.209 1.00 0.00 C ATOM 237 CG ASP A 15 9.480 2.105 9.606 1.00 0.00 C ATOM 238 OD1 ASP A 15 10.149 1.432 10.356 1.00 0.00 O ATOM 239 OD2 ASP A 15 9.429 1.900 8.418 1.00 0.00 O ATOM 0 H ASP A 15 6.422 1.721 9.808 1.00 0.00 H new ATOM 0 HA ASP A 15 8.239 2.075 12.066 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.889 3.521 9.415 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.092 3.951 10.614 1.00 0.00 H new ATOM 244 N GLY A 16 5.573 3.817 11.639 1.00 0.00 N ATOM 245 CA GLY A 16 4.735 4.879 12.185 1.00 0.00 C ATOM 246 C GLY A 16 5.069 6.224 11.553 1.00 0.00 C ATOM 247 O GLY A 16 5.112 7.248 12.236 1.00 0.00 O ATOM 0 H GLY A 16 5.096 3.200 10.982 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.685 4.643 12.011 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.874 4.937 13.265 1.00 0.00 H new ATOM 251 N ASN A 17 5.309 6.216 10.246 1.00 0.00 N ATOM 252 CA ASN A 17 5.744 7.415 9.539 1.00 0.00 C ATOM 253 C ASN A 17 4.558 8.286 9.150 1.00 0.00 C ATOM 254 O ASN A 17 4.715 9.474 8.863 1.00 0.00 O ATOM 255 CB ASN A 17 6.566 7.066 8.312 1.00 0.00 C ATOM 256 CG ASN A 17 7.920 6.498 8.631 1.00 0.00 C ATOM 257 OD1 ASN A 17 8.472 6.724 9.714 1.00 0.00 O ATOM 258 ND2 ASN A 17 8.494 5.827 7.664 1.00 0.00 N ATOM 0 H ASN A 17 5.209 5.391 9.654 1.00 0.00 H new ATOM 0 HA ASN A 17 6.376 7.981 10.223 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.013 6.346 7.709 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.692 7.962 7.704 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.439 5.464 7.786 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.996 5.667 6.788 1.00 0.00 H new ATOM 265 N GLY A 18 3.370 7.691 9.140 1.00 0.00 N ATOM 266 CA GLY A 18 2.160 8.402 8.746 1.00 0.00 C ATOM 267 C GLY A 18 1.870 8.212 7.262 1.00 0.00 C ATOM 268 O GLY A 18 1.056 8.932 6.682 1.00 0.00 O ATOM 0 H GLY A 18 3.220 6.716 9.401 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.315 8.042 9.334 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.271 9.464 8.965 1.00 0.00 H new ATOM 272 N PHE A 19 2.540 7.240 6.653 1.00 0.00 N ATOM 273 CA PHE A 19 2.334 6.935 5.242 1.00 0.00 C ATOM 274 C PHE A 19 2.941 5.587 4.875 1.00 0.00 C ATOM 275 O PHE A 19 3.735 5.028 5.631 1.00 0.00 O ATOM 276 CB PHE A 19 2.930 8.038 4.364 1.00 0.00 C ATOM 277 CG PHE A 19 4.413 8.209 4.530 1.00 0.00 C ATOM 278 CD1 PHE A 19 5.301 7.439 3.795 1.00 0.00 C ATOM 279 CD2 PHE A 19 4.923 9.139 5.423 1.00 0.00 C ATOM 280 CE1 PHE A 19 6.666 7.595 3.948 1.00 0.00 C ATOM 281 CE2 PHE A 19 6.287 9.299 5.577 1.00 0.00 C ATOM 282 CZ PHE A 19 7.159 8.525 4.838 1.00 0.00 C ATOM 0 H PHE A 19 3.231 6.649 7.115 1.00 0.00 H new ATOM 0 HA PHE A 19 1.260 6.883 5.065 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.714 7.815 3.319 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.436 8.982 4.597 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.922 6.709 3.095 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.246 9.746 6.006 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.347 6.988 3.370 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.670 10.029 6.275 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.225 8.648 4.957 1.00 0.00 H new ATOM 292 N ILE A 20 2.563 5.071 3.711 1.00 0.00 N ATOM 293 CA ILE A 20 3.123 3.822 3.209 1.00 0.00 C ATOM 294 C ILE A 20 4.159 4.082 2.122 1.00 0.00 C ATOM 295 O ILE A 20 3.837 4.617 1.061 1.00 0.00 O ATOM 296 CB ILE A 20 2.028 2.895 2.652 1.00 0.00 C ATOM 297 CG1 ILE A 20 0.958 2.634 3.715 1.00 0.00 C ATOM 298 CG2 ILE A 20 2.633 1.586 2.168 1.00 0.00 C ATOM 299 CD1 ILE A 20 1.492 1.988 4.972 1.00 0.00 C ATOM 0 H ILE A 20 1.870 5.499 3.097 1.00 0.00 H new ATOM 0 HA ILE A 20 3.604 3.330 4.055 1.00 0.00 H new ATOM 0 HB ILE A 20 1.556 3.388 1.802 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.482 3.579 3.977 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.185 1.995 3.289 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.844 0.943 1.778 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.358 1.790 1.380 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.131 1.086 2.999 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.675 1.835 5.677 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.942 1.027 4.724 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.244 2.636 5.423 1.00 0.00 H new ATOM 311 N ASP A 21 5.402 3.698 2.392 1.00 0.00 N ATOM 312 CA ASP A 21 6.478 3.848 1.420 1.00 0.00 C ATOM 313 C ASP A 21 6.628 2.594 0.568 1.00 0.00 C ATOM 314 O ASP A 21 5.837 1.657 0.678 1.00 0.00 O ATOM 315 CB ASP A 21 7.799 4.165 2.126 1.00 0.00 C ATOM 316 CG ASP A 21 8.385 3.002 2.914 1.00 0.00 C ATOM 317 OD1 ASP A 21 7.970 1.889 2.692 1.00 0.00 O ATOM 318 OD2 ASP A 21 9.347 3.210 3.615 1.00 0.00 O ATOM 0 H ASP A 21 5.689 3.280 3.277 1.00 0.00 H new ATOM 0 HA ASP A 21 6.220 4.679 0.763 1.00 0.00 H new ATOM 0 HB2 ASP A 21 8.527 4.487 1.381 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.643 5.005 2.803 1.00 0.00 H new ATOM 323 N ARG A 22 7.649 2.581 -0.284 1.00 0.00 N ATOM 324 CA ARG A 22 7.787 1.546 -1.299 1.00 0.00 C ATOM 325 C ARG A 22 7.917 0.166 -0.665 1.00 0.00 C ATOM 326 O ARG A 22 7.276 -0.790 -1.102 1.00 0.00 O ATOM 327 CB ARG A 22 8.936 1.829 -2.255 1.00 0.00 C ATOM 328 CG ARG A 22 9.052 0.859 -3.421 1.00 0.00 C ATOM 329 CD ARG A 22 10.154 1.169 -4.369 1.00 0.00 C ATOM 330 NE ARG A 22 11.487 1.041 -3.805 1.00 0.00 N ATOM 331 CZ ARG A 22 12.173 -0.115 -3.718 1.00 0.00 C ATOM 332 NH1 ARG A 22 11.644 -1.248 -4.120 1.00 0.00 N ATOM 333 NH2 ARG A 22 13.387 -0.082 -3.194 1.00 0.00 N ATOM 0 H ARG A 22 8.394 3.278 -0.290 1.00 0.00 H new ATOM 0 HA ARG A 22 6.873 1.557 -1.893 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.820 2.838 -2.651 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.870 1.812 -1.693 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.199 -0.147 -3.028 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.109 0.853 -3.968 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.072 0.506 -5.231 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.025 2.187 -4.736 1.00 0.00 H new ATOM 0 HE ARG A 22 11.935 1.886 -3.450 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.700 -1.262 -4.505 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.178 -2.114 -4.047 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.779 0.802 -2.869 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.932 -0.941 -3.114 1.00 0.00 H new ATOM 347 N GLU A 23 8.749 0.071 0.366 1.00 0.00 N ATOM 348 CA GLU A 23 9.020 -1.206 1.016 1.00 0.00 C ATOM 349 C GLU A 23 7.801 -1.702 1.786 1.00 0.00 C ATOM 350 O GLU A 23 7.497 -2.894 1.783 1.00 0.00 O ATOM 351 CB GLU A 23 10.221 -1.084 1.956 1.00 0.00 C ATOM 352 CG GLU A 23 11.556 -0.898 1.249 1.00 0.00 C ATOM 353 CD GLU A 23 12.668 -0.668 2.234 1.00 0.00 C ATOM 354 OE1 GLU A 23 12.391 -0.590 3.407 1.00 0.00 O ATOM 355 OE2 GLU A 23 13.806 -0.679 1.827 1.00 0.00 O ATOM 0 H GLU A 23 9.248 0.864 0.770 1.00 0.00 H new ATOM 0 HA GLU A 23 9.251 -1.934 0.238 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.058 -0.240 2.626 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.274 -1.979 2.577 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.777 -1.779 0.647 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.493 -0.052 0.565 1.00 0.00 H new ATOM 362 N GLU A 24 7.107 -0.779 2.443 1.00 0.00 N ATOM 363 CA GLU A 24 5.895 -1.114 3.181 1.00 0.00 C ATOM 364 C GLU A 24 4.778 -1.541 2.240 1.00 0.00 C ATOM 365 O GLU A 24 3.922 -2.348 2.602 1.00 0.00 O ATOM 366 CB GLU A 24 5.441 0.075 4.032 1.00 0.00 C ATOM 367 CG GLU A 24 6.399 0.448 5.153 1.00 0.00 C ATOM 368 CD GLU A 24 6.005 1.747 5.799 1.00 0.00 C ATOM 369 OE1 GLU A 24 5.784 2.698 5.090 1.00 0.00 O ATOM 370 OE2 GLU A 24 5.815 1.760 6.993 1.00 0.00 O ATOM 0 H GLU A 24 7.363 0.208 2.479 1.00 0.00 H new ATOM 0 HA GLU A 24 6.125 -1.953 3.838 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.306 0.940 3.383 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.467 -0.154 4.464 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.412 -0.344 5.902 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.411 0.529 4.757 1.00 0.00 H new ATOM 377 N PHE A 25 4.790 -0.995 1.028 1.00 0.00 N ATOM 378 CA PHE A 25 3.846 -1.403 -0.006 1.00 0.00 C ATOM 379 C PHE A 25 4.139 -2.817 -0.492 1.00 0.00 C ATOM 380 O PHE A 25 3.223 -3.580 -0.800 1.00 0.00 O ATOM 381 CB PHE A 25 3.885 -0.425 -1.181 1.00 0.00 C ATOM 382 CG PHE A 25 2.968 -0.798 -2.311 1.00 0.00 C ATOM 383 CD1 PHE A 25 1.592 -0.818 -2.129 1.00 0.00 C ATOM 384 CD2 PHE A 25 3.477 -1.130 -3.557 1.00 0.00 C ATOM 385 CE1 PHE A 25 0.748 -1.161 -3.167 1.00 0.00 C ATOM 386 CE2 PHE A 25 2.635 -1.473 -4.597 1.00 0.00 C ATOM 387 CZ PHE A 25 1.269 -1.488 -4.402 1.00 0.00 C ATOM 0 H PHE A 25 5.444 -0.268 0.738 1.00 0.00 H new ATOM 0 HA PHE A 25 2.847 -1.393 0.431 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.619 0.570 -0.823 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.906 -0.365 -1.558 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.177 -0.563 -1.165 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.545 -1.120 -3.717 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.321 -1.173 -3.012 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.046 -1.729 -5.562 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.609 -1.755 -5.214 1.00 0.00 H new ATOM 397 N GLY A 26 5.421 -3.161 -0.557 1.00 0.00 N ATOM 398 CA GLY A 26 5.832 -4.524 -0.873 1.00 0.00 C ATOM 399 C GLY A 26 5.190 -5.528 0.075 1.00 0.00 C ATOM 400 O GLY A 26 4.817 -6.629 -0.331 1.00 0.00 O ATOM 0 H GLY A 26 6.193 -2.515 -0.395 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.554 -4.761 -1.900 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.917 -4.603 -0.810 1.00 0.00 H new ATOM 404 N ASP A 27 5.063 -5.142 1.340 1.00 0.00 N ATOM 405 CA ASP A 27 4.414 -5.985 2.337 1.00 0.00 C ATOM 406 C ASP A 27 2.918 -6.102 2.071 1.00 0.00 C ATOM 407 O ASP A 27 2.316 -7.149 2.307 1.00 0.00 O ATOM 408 CB ASP A 27 4.657 -5.435 3.745 1.00 0.00 C ATOM 409 CG ASP A 27 6.069 -5.652 4.270 1.00 0.00 C ATOM 410 OD1 ASP A 27 6.811 -6.372 3.645 1.00 0.00 O ATOM 411 OD2 ASP A 27 6.445 -4.978 5.199 1.00 0.00 O ATOM 0 H ASP A 27 5.402 -4.249 1.699 1.00 0.00 H new ATOM 0 HA ASP A 27 4.851 -6.981 2.266 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.442 -4.366 3.746 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.951 -5.903 4.431 1.00 0.00 H new ATOM 416 N ILE A 28 2.324 -5.020 1.579 1.00 0.00 N ATOM 417 CA ILE A 28 0.904 -5.008 1.250 1.00 0.00 C ATOM 418 C ILE A 28 0.581 -6.027 0.165 1.00 0.00 C ATOM 419 O ILE A 28 -0.366 -6.803 0.290 1.00 0.00 O ATOM 420 CB ILE A 28 0.442 -3.614 0.788 1.00 0.00 C ATOM 421 CG1 ILE A 28 0.466 -2.628 1.959 1.00 0.00 C ATOM 422 CG2 ILE A 28 -0.951 -3.689 0.181 1.00 0.00 C ATOM 423 CD1 ILE A 28 0.240 -1.190 1.551 1.00 0.00 C ATOM 0 H ILE A 28 2.805 -4.139 1.399 1.00 0.00 H new ATOM 0 HA ILE A 28 0.369 -5.273 2.162 1.00 0.00 H new ATOM 0 HB ILE A 28 1.131 -3.257 0.023 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.299 -2.916 2.680 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.427 -2.705 2.467 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.262 -2.695 -0.140 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.938 -4.360 -0.678 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.652 -4.066 0.925 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.271 -0.552 2.434 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.020 -0.883 0.854 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.734 -1.097 1.070 1.00 0.00 H new ATOM 435 N ILE A 29 1.373 -6.017 -0.903 1.00 0.00 N ATOM 436 CA ILE A 29 1.208 -6.976 -1.987 1.00 0.00 C ATOM 437 C ILE A 29 1.642 -8.373 -1.558 1.00 0.00 C ATOM 438 O ILE A 29 1.063 -9.372 -1.987 1.00 0.00 O ATOM 439 CB ILE A 29 2.008 -6.561 -3.235 1.00 0.00 C ATOM 440 CG1 ILE A 29 1.345 -5.363 -3.919 1.00 0.00 C ATOM 441 CG2 ILE A 29 2.131 -7.729 -4.201 1.00 0.00 C ATOM 442 CD1 ILE A 29 2.151 -4.790 -5.063 1.00 0.00 C ATOM 0 H ILE A 29 2.136 -5.354 -1.040 1.00 0.00 H new ATOM 0 HA ILE A 29 0.147 -6.989 -2.235 1.00 0.00 H new ATOM 0 HB ILE A 29 3.010 -6.268 -2.923 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.366 -5.665 -4.292 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.176 -4.581 -3.178 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.699 -7.418 -5.078 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.645 -8.555 -3.710 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.137 -8.052 -4.509 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.617 -3.945 -5.497 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.120 -4.455 -4.693 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.298 -5.556 -5.824 1.00 0.00 H new ATOM 454 N ARG A 30 2.664 -8.436 -0.711 1.00 0.00 N ATOM 455 CA ARG A 30 3.106 -9.700 -0.138 1.00 0.00 C ATOM 456 C ARG A 30 1.956 -10.427 0.548 1.00 0.00 C ATOM 457 O ARG A 30 1.807 -11.642 0.410 1.00 0.00 O ATOM 458 CB ARG A 30 4.291 -9.521 0.801 1.00 0.00 C ATOM 459 CG ARG A 30 4.812 -10.806 1.424 1.00 0.00 C ATOM 460 CD ARG A 30 6.020 -10.629 2.270 1.00 0.00 C ATOM 461 NE ARG A 30 6.487 -11.846 2.916 1.00 0.00 N ATOM 462 CZ ARG A 30 7.560 -11.918 3.728 1.00 0.00 C ATOM 463 NH1 ARG A 30 8.303 -10.860 3.964 1.00 0.00 N ATOM 464 NH2 ARG A 30 7.861 -13.089 4.261 1.00 0.00 N ATOM 0 H ARG A 30 3.202 -7.625 -0.406 1.00 0.00 H new ATOM 0 HA ARG A 30 3.449 -10.323 -0.964 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.103 -9.045 0.251 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.003 -8.837 1.600 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.021 -11.250 2.029 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.041 -11.515 0.628 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.825 -10.228 1.653 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.805 -9.885 3.037 1.00 0.00 H new ATOM 0 HE ARG A 30 5.966 -12.705 2.742 1.00 0.00 H new ATOM 0 HH11 ARG A 30 8.071 -9.967 3.530 1.00 0.00 H new ATOM 0 HH12 ARG A 30 9.112 -10.932 4.581 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.287 -13.906 4.054 1.00 0.00 H new ATOM 0 HH22 ARG A 30 8.667 -13.176 4.880 1.00 0.00 H new ATOM 478 N LEU A 31 1.145 -9.678 1.286 1.00 0.00 N ATOM 479 CA LEU A 31 0.044 -10.259 2.044 1.00 0.00 C ATOM 480 C LEU A 31 -1.160 -10.524 1.150 1.00 0.00 C ATOM 481 O LEU A 31 -1.629 -11.658 1.045 1.00 0.00 O ATOM 482 CB LEU A 31 -0.347 -9.334 3.204 1.00 0.00 C ATOM 483 CG LEU A 31 -1.482 -9.852 4.097 1.00 0.00 C ATOM 484 CD1 LEU A 31 -1.066 -11.154 4.766 1.00 0.00 C ATOM 485 CD2 LEU A 31 -1.830 -8.797 5.139 1.00 0.00 C ATOM 0 H LEU A 31 1.230 -8.665 1.375 1.00 0.00 H new ATOM 0 HA LEU A 31 0.379 -11.214 2.449 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.533 -9.163 3.824 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.641 -8.368 2.794 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.364 -10.048 3.488 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.878 -11.514 5.398 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.842 -11.900 4.003 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.180 -10.982 5.377 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.636 -9.165 5.774 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.953 -8.587 5.751 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.150 -7.883 4.639 1.00 0.00 H new ATOM 497 N THR A 32 -1.657 -9.474 0.506 1.00 0.00 N ATOM 498 CA THR A 32 -2.966 -9.516 -0.133 1.00 0.00 C ATOM 499 C THR A 32 -2.836 -9.590 -1.650 1.00 0.00 C ATOM 500 O THR A 32 -3.787 -9.942 -2.348 1.00 0.00 O ATOM 501 CB THR A 32 -3.817 -8.288 0.239 1.00 0.00 C ATOM 502 OG1 THR A 32 -3.169 -7.096 -0.224 1.00 0.00 O ATOM 503 CG2 THR A 32 -4.004 -8.206 1.746 1.00 0.00 C ATOM 0 H THR A 32 -1.172 -8.582 0.413 1.00 0.00 H new ATOM 0 HA THR A 32 -3.464 -10.415 0.231 1.00 0.00 H new ATOM 0 HB THR A 32 -4.794 -8.385 -0.234 1.00 0.00 H new ATOM 0 HG1 THR A 32 -2.260 -7.056 0.139 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.608 -7.332 1.991 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.508 -9.106 2.100 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.031 -8.121 2.229 1.00 0.00 H new ATOM 511 N GLY A 33 -1.654 -9.256 -2.154 1.00 0.00 N ATOM 512 CA GLY A 33 -1.410 -9.242 -3.591 1.00 0.00 C ATOM 513 C GLY A 33 -0.796 -10.555 -4.058 1.00 0.00 C ATOM 514 O GLY A 33 0.265 -10.568 -4.684 1.00 0.00 O ATOM 0 H GLY A 33 -0.848 -8.991 -1.588 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.347 -9.067 -4.120 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.744 -8.416 -3.841 1.00 0.00 H new ATOM 518 N GLU A 34 -1.469 -11.660 -3.752 1.00 0.00 N ATOM 519 CA GLU A 34 -0.930 -12.987 -4.026 1.00 0.00 C ATOM 520 C GLU A 34 -0.763 -13.214 -5.523 1.00 0.00 C ATOM 521 O GLU A 34 0.083 -13.999 -5.950 1.00 0.00 O ATOM 522 CB GLU A 34 -1.835 -14.066 -3.428 1.00 0.00 C ATOM 523 CG GLU A 34 -1.820 -14.127 -1.907 1.00 0.00 C ATOM 524 CD GLU A 34 -2.795 -15.147 -1.392 1.00 0.00 C ATOM 525 OE1 GLU A 34 -3.497 -15.725 -2.187 1.00 0.00 O ATOM 526 OE2 GLU A 34 -2.763 -15.431 -0.217 1.00 0.00 O ATOM 0 H GLU A 34 -2.390 -11.662 -3.314 1.00 0.00 H new ATOM 0 HA GLU A 34 0.053 -13.051 -3.560 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.858 -13.892 -3.762 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.532 -15.036 -3.821 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.816 -14.373 -1.561 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.067 -13.147 -1.499 1.00 0.00 H new ATOM 533 N GLN A 35 -1.574 -12.522 -6.316 1.00 0.00 N ATOM 534 CA GLN A 35 -1.550 -12.684 -7.765 1.00 0.00 C ATOM 535 C GLN A 35 -0.556 -11.726 -8.409 1.00 0.00 C ATOM 536 O GLN A 35 -0.332 -11.770 -9.619 1.00 0.00 O ATOM 537 CB GLN A 35 -2.944 -12.454 -8.354 1.00 0.00 C ATOM 538 CG GLN A 35 -4.003 -13.417 -7.842 1.00 0.00 C ATOM 539 CD GLN A 35 -3.669 -14.863 -8.157 1.00 0.00 C ATOM 540 OE1 GLN A 35 -3.289 -15.197 -9.282 1.00 0.00 O ATOM 541 NE2 GLN A 35 -3.813 -15.732 -7.162 1.00 0.00 N ATOM 0 H GLN A 35 -2.257 -11.843 -5.979 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.235 -13.705 -7.979 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -3.257 -11.434 -8.130 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -2.886 -12.538 -9.439 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -4.108 -13.298 -6.764 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.966 -13.164 -8.286 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -4.130 -15.412 -6.247 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.606 -16.719 -7.313 1.00 0.00 H new ATOM 550 N LEU A 36 0.038 -10.861 -7.593 1.00 0.00 N ATOM 551 CA LEU A 36 0.993 -9.875 -8.087 1.00 0.00 C ATOM 552 C LEU A 36 2.427 -10.340 -7.871 1.00 0.00 C ATOM 553 O LEU A 36 2.705 -11.120 -6.959 1.00 0.00 O ATOM 554 CB LEU A 36 0.760 -8.523 -7.399 1.00 0.00 C ATOM 555 CG LEU A 36 -0.638 -7.922 -7.597 1.00 0.00 C ATOM 556 CD1 LEU A 36 -0.787 -6.662 -6.756 1.00 0.00 C ATOM 557 CD2 LEU A 36 -0.856 -7.616 -9.071 1.00 0.00 C ATOM 0 H LEU A 36 -0.125 -10.823 -6.587 1.00 0.00 H new ATOM 0 HA LEU A 36 0.837 -9.759 -9.160 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.939 -8.641 -6.330 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.499 -7.813 -7.769 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.392 -8.639 -7.273 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.782 -6.242 -6.903 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.649 -6.909 -5.703 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.037 -5.932 -7.059 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.849 -7.189 -9.211 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.104 -6.904 -9.410 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.771 -8.536 -9.650 1.00 0.00 H new ATOM 569 N THR A 37 3.333 -9.857 -8.714 1.00 0.00 N ATOM 570 CA THR A 37 4.738 -10.239 -8.628 1.00 0.00 C ATOM 571 C THR A 37 5.526 -9.252 -7.777 1.00 0.00 C ATOM 572 O THR A 37 4.992 -8.233 -7.336 1.00 0.00 O ATOM 573 CB THR A 37 5.385 -10.327 -10.023 1.00 0.00 C ATOM 574 OG1 THR A 37 5.481 -9.015 -10.592 1.00 0.00 O ATOM 575 CG2 THR A 37 4.556 -11.214 -10.940 1.00 0.00 C ATOM 0 H THR A 37 3.120 -9.200 -9.465 1.00 0.00 H new ATOM 0 HA THR A 37 4.768 -11.223 -8.160 1.00 0.00 H new ATOM 0 HB THR A 37 6.380 -10.759 -9.919 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.894 -9.072 -11.479 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.028 -11.265 -11.921 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.492 -12.216 -10.516 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.554 -10.797 -11.041 1.00 0.00 H new ATOM 583 N ASP A 38 6.797 -9.560 -7.547 1.00 0.00 N ATOM 584 CA ASP A 38 7.695 -8.643 -6.853 1.00 0.00 C ATOM 585 C ASP A 38 8.016 -7.429 -7.714 1.00 0.00 C ATOM 586 O ASP A 38 8.273 -6.341 -7.199 1.00 0.00 O ATOM 587 CB ASP A 38 8.986 -9.359 -6.451 1.00 0.00 C ATOM 588 CG ASP A 38 8.831 -10.336 -5.293 1.00 0.00 C ATOM 589 OD1 ASP A 38 7.812 -10.300 -4.643 1.00 0.00 O ATOM 590 OD2 ASP A 38 9.655 -11.209 -5.164 1.00 0.00 O ATOM 0 H ASP A 38 7.230 -10.439 -7.831 1.00 0.00 H new ATOM 0 HA ASP A 38 7.187 -8.297 -5.953 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.372 -9.898 -7.316 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.733 -8.612 -6.182 1.00 0.00 H new ATOM 595 N GLU A 39 8.000 -7.622 -9.029 1.00 0.00 N ATOM 596 CA GLU A 39 8.220 -6.527 -9.967 1.00 0.00 C ATOM 597 C GLU A 39 7.010 -5.605 -10.032 1.00 0.00 C ATOM 598 O GLU A 39 7.144 -4.402 -10.255 1.00 0.00 O ATOM 599 CB GLU A 39 8.544 -7.071 -11.360 1.00 0.00 C ATOM 600 CG GLU A 39 9.890 -7.774 -11.463 1.00 0.00 C ATOM 601 CD GLU A 39 10.094 -8.365 -12.831 1.00 0.00 C ATOM 602 OE1 GLU A 39 9.202 -8.267 -13.638 1.00 0.00 O ATOM 603 OE2 GLU A 39 11.182 -8.813 -13.106 1.00 0.00 O ATOM 0 H GLU A 39 7.837 -8.527 -9.469 1.00 0.00 H new ATOM 0 HA GLU A 39 9.070 -5.947 -9.608 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.760 -7.768 -11.656 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.523 -6.247 -12.073 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.690 -7.066 -11.247 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.950 -8.561 -10.712 1.00 0.00 H new ATOM 610 N ASP A 40 5.826 -6.177 -9.838 1.00 0.00 N ATOM 611 CA ASP A 40 4.593 -5.399 -9.817 1.00 0.00 C ATOM 612 C ASP A 40 4.596 -4.393 -8.675 1.00 0.00 C ATOM 613 O ASP A 40 3.958 -3.343 -8.757 1.00 0.00 O ATOM 614 CB ASP A 40 3.378 -6.322 -9.702 1.00 0.00 C ATOM 615 CG ASP A 40 3.057 -7.101 -10.972 1.00 0.00 C ATOM 616 OD1 ASP A 40 3.570 -6.749 -12.007 1.00 0.00 O ATOM 617 OD2 ASP A 40 2.432 -8.129 -10.870 1.00 0.00 O ATOM 0 H ASP A 40 5.695 -7.178 -9.693 1.00 0.00 H new ATOM 0 HA ASP A 40 4.531 -4.848 -10.756 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.550 -7.029 -8.890 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.508 -5.725 -9.427 1.00 0.00 H new ATOM 622 N VAL A 41 5.318 -4.719 -7.608 1.00 0.00 N ATOM 623 CA VAL A 41 5.386 -3.854 -6.436 1.00 0.00 C ATOM 624 C VAL A 41 5.863 -2.456 -6.809 1.00 0.00 C ATOM 625 O VAL A 41 5.211 -1.462 -6.491 1.00 0.00 O ATOM 626 CB VAL A 41 6.322 -4.435 -5.359 1.00 0.00 C ATOM 627 CG1 VAL A 41 6.518 -3.435 -4.229 1.00 0.00 C ATOM 628 CG2 VAL A 41 5.767 -5.744 -4.820 1.00 0.00 C ATOM 0 H VAL A 41 5.865 -5.577 -7.531 1.00 0.00 H new ATOM 0 HA VAL A 41 4.375 -3.793 -6.032 1.00 0.00 H new ATOM 0 HB VAL A 41 7.291 -4.634 -5.816 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.182 -3.861 -3.477 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.959 -2.520 -4.625 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.554 -3.206 -3.774 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.441 -6.140 -4.060 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.786 -5.569 -4.379 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.675 -6.463 -5.634 1.00 0.00 H new ATOM 638 N ASP A 42 7.005 -2.387 -7.485 1.00 0.00 N ATOM 639 CA ASP A 42 7.629 -1.110 -7.805 1.00 0.00 C ATOM 640 C ASP A 42 6.821 -0.347 -8.846 1.00 0.00 C ATOM 641 O ASP A 42 6.711 0.878 -8.784 1.00 0.00 O ATOM 642 CB ASP A 42 9.061 -1.323 -8.305 1.00 0.00 C ATOM 643 CG ASP A 42 10.045 -1.757 -7.227 1.00 0.00 C ATOM 644 OD1 ASP A 42 9.692 -1.706 -6.073 1.00 0.00 O ATOM 645 OD2 ASP A 42 11.078 -2.282 -7.571 1.00 0.00 O ATOM 0 H ASP A 42 7.517 -3.202 -7.822 1.00 0.00 H new ATOM 0 HA ASP A 42 7.657 -0.516 -6.892 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.049 -2.075 -9.094 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.418 -0.396 -8.754 1.00 0.00 H new ATOM 650 N GLU A 43 6.256 -1.077 -9.801 1.00 0.00 N ATOM 651 CA GLU A 43 5.504 -0.464 -10.889 1.00 0.00 C ATOM 652 C GLU A 43 4.175 0.093 -10.396 1.00 0.00 C ATOM 653 O GLU A 43 3.813 1.229 -10.704 1.00 0.00 O ATOM 654 CB GLU A 43 5.264 -1.477 -12.012 1.00 0.00 C ATOM 655 CG GLU A 43 6.515 -1.864 -12.787 1.00 0.00 C ATOM 656 CD GLU A 43 6.214 -2.910 -13.823 1.00 0.00 C ATOM 657 OE1 GLU A 43 5.094 -3.359 -13.878 1.00 0.00 O ATOM 658 OE2 GLU A 43 7.070 -3.181 -14.632 1.00 0.00 O ATOM 0 H GLU A 43 6.305 -2.095 -9.844 1.00 0.00 H new ATOM 0 HA GLU A 43 6.097 0.364 -11.278 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.823 -2.377 -11.584 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.534 -1.064 -12.708 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.934 -0.981 -13.270 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.271 -2.239 -12.097 1.00 0.00 H new ATOM 665 N ILE A 44 3.450 -0.713 -9.626 1.00 0.00 N ATOM 666 CA ILE A 44 2.147 -0.312 -9.109 1.00 0.00 C ATOM 667 C ILE A 44 2.280 0.829 -8.108 1.00 0.00 C ATOM 668 O ILE A 44 1.441 1.728 -8.063 1.00 0.00 O ATOM 669 CB ILE A 44 1.419 -1.490 -8.438 1.00 0.00 C ATOM 670 CG1 ILE A 44 1.047 -2.550 -9.477 1.00 0.00 C ATOM 671 CG2 ILE A 44 0.180 -1.000 -7.704 1.00 0.00 C ATOM 672 CD1 ILE A 44 0.550 -3.846 -8.878 1.00 0.00 C ATOM 0 H ILE A 44 3.744 -1.649 -9.346 1.00 0.00 H new ATOM 0 HA ILE A 44 1.560 0.025 -9.963 1.00 0.00 H new ATOM 0 HB ILE A 44 2.091 -1.944 -7.710 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.277 -2.146 -10.134 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.919 -2.758 -10.097 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.323 -1.846 -7.235 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.471 -0.281 -6.938 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.497 -0.522 -8.412 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.307 -4.546 -9.677 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.326 -4.275 -8.243 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.341 -3.653 -8.281 1.00 0.00 H new ATOM 684 N PHE A 45 3.338 0.785 -7.305 1.00 0.00 N ATOM 685 CA PHE A 45 3.623 1.854 -6.355 1.00 0.00 C ATOM 686 C PHE A 45 3.700 3.206 -7.054 1.00 0.00 C ATOM 687 O PHE A 45 3.059 4.169 -6.634 1.00 0.00 O ATOM 688 CB PHE A 45 4.929 1.571 -5.610 1.00 0.00 C ATOM 689 CG PHE A 45 5.297 2.629 -4.610 1.00 0.00 C ATOM 690 CD1 PHE A 45 4.710 2.651 -3.354 1.00 0.00 C ATOM 691 CD2 PHE A 45 6.231 3.606 -4.923 1.00 0.00 C ATOM 692 CE1 PHE A 45 5.047 3.625 -2.432 1.00 0.00 C ATOM 693 CE2 PHE A 45 6.571 4.580 -4.004 1.00 0.00 C ATOM 694 CZ PHE A 45 5.978 4.589 -2.757 1.00 0.00 C ATOM 0 H PHE A 45 4.013 0.020 -7.293 1.00 0.00 H new ATOM 0 HA PHE A 45 2.805 1.890 -5.636 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.844 0.613 -5.097 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.737 1.473 -6.336 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.981 1.898 -3.093 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.698 3.605 -5.897 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.581 3.631 -1.458 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.300 5.334 -4.261 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.243 5.350 -2.038 1.00 0.00 H new ATOM 704 N GLY A 46 4.489 3.270 -8.121 1.00 0.00 N ATOM 705 CA GLY A 46 4.635 4.499 -8.893 1.00 0.00 C ATOM 706 C GLY A 46 3.324 4.887 -9.563 1.00 0.00 C ATOM 707 O GLY A 46 3.000 6.069 -9.676 1.00 0.00 O ATOM 0 H GLY A 46 5.038 2.485 -8.471 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.965 5.306 -8.238 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.408 4.367 -9.650 1.00 0.00 H new ATOM 711 N ASP A 47 2.572 3.886 -10.007 1.00 0.00 N ATOM 712 CA ASP A 47 1.289 4.121 -10.658 1.00 0.00 C ATOM 713 C ASP A 47 0.261 4.659 -9.672 1.00 0.00 C ATOM 714 O ASP A 47 -0.574 5.493 -10.025 1.00 0.00 O ATOM 715 CB ASP A 47 0.773 2.833 -11.306 1.00 0.00 C ATOM 716 CG ASP A 47 1.511 2.426 -12.573 1.00 0.00 C ATOM 717 OD1 ASP A 47 2.250 3.230 -13.091 1.00 0.00 O ATOM 718 OD2 ASP A 47 1.456 1.272 -12.925 1.00 0.00 O ATOM 0 H ASP A 47 2.830 2.902 -9.928 1.00 0.00 H new ATOM 0 HA ASP A 47 1.442 4.871 -11.434 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.846 2.022 -10.581 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.284 2.957 -11.540 1.00 0.00 H new ATOM 723 N SER A 48 0.326 4.179 -8.436 1.00 0.00 N ATOM 724 CA SER A 48 -0.608 4.602 -7.399 1.00 0.00 C ATOM 725 C SER A 48 -0.177 5.924 -6.777 1.00 0.00 C ATOM 726 O SER A 48 -0.980 6.618 -6.152 1.00 0.00 O ATOM 727 CB SER A 48 -0.725 3.530 -6.332 1.00 0.00 C ATOM 728 OG SER A 48 0.476 3.352 -5.632 1.00 0.00 O ATOM 0 H SER A 48 1.017 3.495 -8.127 1.00 0.00 H new ATOM 0 HA SER A 48 -1.584 4.751 -7.861 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.516 3.800 -5.632 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.017 2.588 -6.795 1.00 0.00 H new ATOM 0 HG SER A 48 1.214 3.745 -6.143 1.00 0.00 H new ATOM 734 N ASP A 49 1.093 6.270 -6.953 1.00 0.00 N ATOM 735 CA ASP A 49 1.607 7.557 -6.500 1.00 0.00 C ATOM 736 C ASP A 49 1.237 8.670 -7.472 1.00 0.00 C ATOM 737 O ASP A 49 2.079 9.149 -8.232 1.00 0.00 O ATOM 738 CB ASP A 49 3.127 7.496 -6.325 1.00 0.00 C ATOM 739 CG ASP A 49 3.737 8.740 -5.693 1.00 0.00 C ATOM 740 OD1 ASP A 49 2.993 9.590 -5.263 1.00 0.00 O ATOM 741 OD2 ASP A 49 4.929 8.762 -5.505 1.00 0.00 O ATOM 0 H ASP A 49 1.787 5.676 -7.407 1.00 0.00 H new ATOM 0 HA ASP A 49 1.148 7.779 -5.536 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.375 6.631 -5.710 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.587 7.336 -7.300 1.00 0.00 H new ATOM 746 N THR A 50 -0.028 9.077 -7.444 1.00 0.00 N ATOM 747 CA THR A 50 -0.525 10.098 -8.359 1.00 0.00 C ATOM 748 C THR A 50 0.147 11.440 -8.103 1.00 0.00 C ATOM 749 O THR A 50 0.453 12.180 -9.038 1.00 0.00 O ATOM 750 CB THR A 50 -2.051 10.268 -8.239 1.00 0.00 C ATOM 751 OG1 THR A 50 -2.700 9.040 -8.594 1.00 0.00 O ATOM 752 CG2 THR A 50 -2.537 11.377 -9.160 1.00 0.00 C ATOM 0 H THR A 50 -0.728 8.715 -6.797 1.00 0.00 H new ATOM 0 HA THR A 50 -0.284 9.761 -9.367 1.00 0.00 H new ATOM 0 HB THR A 50 -2.293 10.531 -7.209 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.671 9.149 -8.516 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.617 11.484 -9.063 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.054 12.315 -8.887 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.289 11.128 -10.192 1.00 0.00 H new ATOM 760 N ASP A 51 0.375 11.750 -6.831 1.00 0.00 N ATOM 761 CA ASP A 51 0.962 13.028 -6.447 1.00 0.00 C ATOM 762 C ASP A 51 2.465 13.041 -6.698 1.00 0.00 C ATOM 763 O ASP A 51 3.110 14.085 -6.609 1.00 0.00 O ATOM 764 CB ASP A 51 0.672 13.330 -4.975 1.00 0.00 C ATOM 765 CG ASP A 51 -0.780 13.682 -4.678 1.00 0.00 C ATOM 766 OD1 ASP A 51 -1.506 13.949 -5.606 1.00 0.00 O ATOM 767 OD2 ASP A 51 -1.189 13.527 -3.552 1.00 0.00 O ATOM 0 H ASP A 51 0.162 11.132 -6.048 1.00 0.00 H new ATOM 0 HA ASP A 51 0.507 13.803 -7.064 1.00 0.00 H new ATOM 0 HB2 ASP A 51 0.952 12.463 -4.377 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.306 14.157 -4.655 1.00 0.00 H new ATOM 772 N LYS A 52 3.017 11.874 -7.011 1.00 0.00 N ATOM 773 CA LYS A 52 4.445 11.749 -7.277 1.00 0.00 C ATOM 774 C LYS A 52 5.271 12.274 -6.110 1.00 0.00 C ATOM 775 O LYS A 52 6.242 13.004 -6.304 1.00 0.00 O ATOM 776 CB LYS A 52 4.817 12.492 -8.561 1.00 0.00 C ATOM 777 CG LYS A 52 4.120 11.975 -9.813 1.00 0.00 C ATOM 778 CD LYS A 52 4.539 12.762 -11.045 1.00 0.00 C ATOM 779 CE LYS A 52 3.801 12.282 -12.287 1.00 0.00 C ATOM 780 NZ LYS A 52 4.138 13.098 -13.484 1.00 0.00 N ATOM 0 H LYS A 52 2.496 11.000 -7.087 1.00 0.00 H new ATOM 0 HA LYS A 52 4.669 10.690 -7.403 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.578 13.548 -8.437 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.895 12.424 -8.706 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.357 10.921 -9.955 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.040 12.044 -9.685 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.339 13.822 -10.887 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.614 12.660 -11.196 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.051 11.238 -12.477 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.726 12.325 -12.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.615 12.738 -14.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.876 14.090 -13.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.160 13.037 -13.669 1.00 0.00 H new ATOM 794 N ASN A 53 4.878 11.898 -4.898 1.00 0.00 N ATOM 795 CA ASN A 53 5.557 12.363 -3.694 1.00 0.00 C ATOM 796 C ASN A 53 6.607 11.360 -3.232 1.00 0.00 C ATOM 797 O ASN A 53 7.404 11.649 -2.340 1.00 0.00 O ATOM 798 CB ASN A 53 4.572 12.644 -2.575 1.00 0.00 C ATOM 799 CG ASN A 53 3.722 13.861 -2.809 1.00 0.00 C ATOM 800 OD1 ASN A 53 4.126 14.803 -3.502 1.00 0.00 O ATOM 801 ND2 ASN A 53 2.578 13.884 -2.171 1.00 0.00 N ATOM 0 H ASN A 53 4.092 11.272 -4.723 1.00 0.00 H new ATOM 0 HA ASN A 53 6.059 13.297 -3.948 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.923 11.777 -2.448 1.00 0.00 H new ATOM 0 HB3 ASN A 53 5.122 12.770 -1.642 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.976 14.705 -2.233 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.290 13.081 -1.612 1.00 0.00 H new ATOM 808 N GLY A 54 6.601 10.181 -3.843 1.00 0.00 N ATOM 809 CA GLY A 54 7.495 9.103 -3.439 1.00 0.00 C ATOM 810 C GLY A 54 6.905 8.300 -2.287 1.00 0.00 C ATOM 811 O GLY A 54 7.603 7.520 -1.639 1.00 0.00 O ATOM 0 H GLY A 54 5.985 9.947 -4.622 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.681 8.444 -4.287 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.458 9.518 -3.141 1.00 0.00 H new ATOM 815 N ARG A 55 5.615 8.495 -2.038 1.00 0.00 N ATOM 816 CA ARG A 55 4.946 7.853 -0.912 1.00 0.00 C ATOM 817 C ARG A 55 3.451 7.713 -1.166 1.00 0.00 C ATOM 818 O ARG A 55 2.885 8.416 -2.002 1.00 0.00 O ATOM 819 CB ARG A 55 5.223 8.566 0.403 1.00 0.00 C ATOM 820 CG ARG A 55 4.717 9.998 0.474 1.00 0.00 C ATOM 821 CD ARG A 55 5.051 10.705 1.737 1.00 0.00 C ATOM 822 NE ARG A 55 4.530 12.059 1.825 1.00 0.00 N ATOM 823 CZ ARG A 55 4.721 12.886 2.872 1.00 0.00 C ATOM 824 NH1 ARG A 55 5.388 12.491 3.934 1.00 0.00 N ATOM 825 NH2 ARG A 55 4.200 14.099 2.812 1.00 0.00 N ATOM 0 H ARG A 55 5.011 9.093 -2.601 1.00 0.00 H new ATOM 0 HA ARG A 55 5.364 6.851 -0.821 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.768 7.995 1.212 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.299 8.567 0.579 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.132 10.559 -0.363 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.634 9.994 0.349 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.666 10.126 2.576 1.00 0.00 H new ATOM 0 HD3 ARG A 55 6.135 10.739 1.844 1.00 0.00 H new ATOM 0 HE ARG A 55 3.981 12.408 1.039 1.00 0.00 H new ATOM 0 HH11 ARG A 55 5.770 11.546 3.974 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.524 13.130 4.718 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.670 14.386 1.989 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.327 14.748 3.589 1.00 0.00 H new ATOM 839 N ILE A 56 2.816 6.799 -0.440 1.00 0.00 N ATOM 840 CA ILE A 56 1.368 6.641 -0.505 1.00 0.00 C ATOM 841 C ILE A 56 0.701 7.144 0.769 1.00 0.00 C ATOM 842 O ILE A 56 0.926 6.605 1.854 1.00 0.00 O ATOM 843 CB ILE A 56 0.971 5.171 -0.734 1.00 0.00 C ATOM 844 CG1 ILE A 56 1.644 4.628 -1.998 1.00 0.00 C ATOM 845 CG2 ILE A 56 -0.541 5.038 -0.835 1.00 0.00 C ATOM 846 CD1 ILE A 56 1.267 5.371 -3.259 1.00 0.00 C ATOM 0 H ILE A 56 3.282 6.156 0.200 1.00 0.00 H new ATOM 0 HA ILE A 56 1.024 7.237 -1.350 1.00 0.00 H new ATOM 0 HB ILE A 56 1.311 4.583 0.118 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.726 4.674 -1.870 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.381 3.577 -2.115 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.804 3.993 -0.997 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.000 5.389 0.089 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.904 5.637 -1.670 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.783 4.928 -4.111 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.190 5.304 -3.413 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.555 6.418 -3.164 1.00 0.00 H new ATOM 858 N ASP A 57 -0.121 8.179 0.632 1.00 0.00 N ATOM 859 CA ASP A 57 -0.879 8.710 1.758 1.00 0.00 C ATOM 860 C ASP A 57 -2.083 7.832 2.075 1.00 0.00 C ATOM 861 O ASP A 57 -2.421 6.927 1.312 1.00 0.00 O ATOM 862 CB ASP A 57 -1.335 10.142 1.470 1.00 0.00 C ATOM 863 CG ASP A 57 -1.552 10.996 2.713 1.00 0.00 C ATOM 864 OD1 ASP A 57 -1.435 10.473 3.795 1.00 0.00 O ATOM 865 OD2 ASP A 57 -1.678 12.189 2.574 1.00 0.00 O ATOM 0 H ASP A 57 -0.279 8.667 -0.249 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.222 8.716 2.628 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.592 10.626 0.837 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.264 10.107 0.901 1.00 0.00 H new ATOM 870 N PHE A 58 -2.725 8.103 3.205 1.00 0.00 N ATOM 871 CA PHE A 58 -3.887 7.332 3.631 1.00 0.00 C ATOM 872 C PHE A 58 -5.028 7.457 2.630 1.00 0.00 C ATOM 873 O PHE A 58 -5.718 6.481 2.335 1.00 0.00 O ATOM 874 CB PHE A 58 -4.350 7.783 5.017 1.00 0.00 C ATOM 875 CG PHE A 58 -5.587 7.082 5.501 1.00 0.00 C ATOM 876 CD1 PHE A 58 -5.537 5.753 5.898 1.00 0.00 C ATOM 877 CD2 PHE A 58 -6.802 7.747 5.560 1.00 0.00 C ATOM 878 CE1 PHE A 58 -6.675 5.107 6.344 1.00 0.00 C ATOM 879 CE2 PHE A 58 -7.941 7.103 6.006 1.00 0.00 C ATOM 880 CZ PHE A 58 -7.876 5.781 6.398 1.00 0.00 C ATOM 0 H PHE A 58 -2.460 8.852 3.844 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.592 6.284 3.681 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.545 7.614 5.732 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.537 8.857 4.996 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.600 5.218 5.858 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.859 8.781 5.254 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -6.623 4.073 6.651 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -8.881 7.634 6.048 1.00 0.00 H new ATOM 0 HZ PHE A 58 -8.765 5.276 6.746 1.00 0.00 H new ATOM 890 N ASP A 59 -5.223 8.664 2.110 1.00 0.00 N ATOM 891 CA ASP A 59 -6.239 8.906 1.092 1.00 0.00 C ATOM 892 C ASP A 59 -6.014 8.026 -0.131 1.00 0.00 C ATOM 893 O ASP A 59 -6.964 7.514 -0.723 1.00 0.00 O ATOM 894 CB ASP A 59 -6.248 10.381 0.684 1.00 0.00 C ATOM 895 CG ASP A 59 -6.834 11.319 1.730 1.00 0.00 C ATOM 896 OD1 ASP A 59 -7.435 10.838 2.662 1.00 0.00 O ATOM 897 OD2 ASP A 59 -6.546 12.491 1.676 1.00 0.00 O ATOM 0 H ASP A 59 -4.690 9.491 2.377 1.00 0.00 H new ATOM 0 HA ASP A 59 -7.208 8.651 1.521 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.226 10.692 0.467 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.816 10.486 -0.240 1.00 0.00 H new ATOM 902 N GLU A 60 -4.750 7.853 -0.503 1.00 0.00 N ATOM 903 CA GLU A 60 -4.393 6.989 -1.623 1.00 0.00 C ATOM 904 C GLU A 60 -4.381 5.524 -1.206 1.00 0.00 C ATOM 905 O GLU A 60 -4.598 4.633 -2.028 1.00 0.00 O ATOM 906 CB GLU A 60 -3.029 7.386 -2.192 1.00 0.00 C ATOM 907 CG GLU A 60 -3.001 8.752 -2.864 1.00 0.00 C ATOM 908 CD GLU A 60 -3.978 8.819 -4.005 1.00 0.00 C ATOM 909 OE1 GLU A 60 -3.903 7.987 -4.876 1.00 0.00 O ATOM 910 OE2 GLU A 60 -4.870 9.633 -3.950 1.00 0.00 O ATOM 0 H GLU A 60 -3.955 8.300 -0.045 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.150 7.116 -2.397 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.296 7.376 -1.386 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.717 6.632 -2.915 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.239 9.524 -2.133 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.996 8.959 -3.231 1.00 0.00 H new ATOM 917 N PHE A 61 -4.125 5.281 0.075 1.00 0.00 N ATOM 918 CA PHE A 61 -4.089 3.923 0.604 1.00 0.00 C ATOM 919 C PHE A 61 -5.430 3.224 0.419 1.00 0.00 C ATOM 920 O PHE A 61 -5.485 2.067 0.002 1.00 0.00 O ATOM 921 CB PHE A 61 -3.703 3.937 2.085 1.00 0.00 C ATOM 922 CG PHE A 61 -3.712 2.577 2.725 1.00 0.00 C ATOM 923 CD1 PHE A 61 -2.599 1.753 2.651 1.00 0.00 C ATOM 924 CD2 PHE A 61 -4.832 2.120 3.403 1.00 0.00 C ATOM 925 CE1 PHE A 61 -2.605 0.503 3.240 1.00 0.00 C ATOM 926 CE2 PHE A 61 -4.840 0.872 3.994 1.00 0.00 C ATOM 927 CZ PHE A 61 -3.725 0.063 3.912 1.00 0.00 C ATOM 0 H PHE A 61 -3.939 6.008 0.766 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.336 3.367 0.046 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.708 4.371 2.188 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.392 4.587 2.625 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.718 2.092 2.127 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.708 2.748 3.470 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.732 -0.129 3.174 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.719 0.529 4.520 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.730 -0.913 4.374 1.00 0.00 H new ATOM 937 N LEU A 62 -6.510 3.933 0.729 1.00 0.00 N ATOM 938 CA LEU A 62 -7.848 3.359 0.662 1.00 0.00 C ATOM 939 C LEU A 62 -8.183 2.906 -0.753 1.00 0.00 C ATOM 940 O LEU A 62 -8.836 1.881 -0.949 1.00 0.00 O ATOM 941 CB LEU A 62 -8.885 4.376 1.156 1.00 0.00 C ATOM 942 CG LEU A 62 -8.778 4.751 2.639 1.00 0.00 C ATOM 943 CD1 LEU A 62 -9.762 5.865 2.968 1.00 0.00 C ATOM 944 CD2 LEU A 62 -9.045 3.524 3.495 1.00 0.00 C ATOM 0 H LEU A 62 -6.484 4.907 1.029 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.874 2.483 1.310 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.792 5.284 0.561 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.881 3.974 0.970 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.772 5.112 2.851 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.678 6.124 4.023 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.536 6.741 2.360 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.777 5.528 2.756 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.969 3.792 4.549 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.047 3.147 3.288 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.312 2.752 3.263 1.00 0.00 H new ATOM 956 N LYS A 63 -7.731 3.675 -1.738 1.00 0.00 N ATOM 957 CA LYS A 63 -7.932 3.323 -3.139 1.00 0.00 C ATOM 958 C LYS A 63 -6.906 2.297 -3.601 1.00 0.00 C ATOM 959 O LYS A 63 -7.208 1.425 -4.416 1.00 0.00 O ATOM 960 CB LYS A 63 -7.860 4.571 -4.020 1.00 0.00 C ATOM 961 CG LYS A 63 -8.960 5.592 -3.756 1.00 0.00 C ATOM 962 CD LYS A 63 -8.789 6.827 -4.626 1.00 0.00 C ATOM 963 CE LYS A 63 -7.543 7.610 -4.239 1.00 0.00 C ATOM 964 NZ LYS A 63 -7.438 8.893 -4.985 1.00 0.00 N ATOM 0 H LYS A 63 -7.222 4.547 -1.592 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.924 2.880 -3.233 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.893 5.051 -3.871 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.907 4.266 -5.065 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.933 5.140 -3.950 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.947 5.880 -2.705 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.724 6.530 -5.673 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.667 7.466 -4.530 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.560 7.813 -3.168 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.658 7.004 -4.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.551 9.371 -4.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.447 8.702 -6.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.243 9.504 -4.740 1.00 0.00 H new ATOM 978 N MET A 64 -5.689 2.405 -3.076 1.00 0.00 N ATOM 979 CA MET A 64 -4.597 1.530 -3.486 1.00 0.00 C ATOM 980 C MET A 64 -4.885 0.080 -3.120 1.00 0.00 C ATOM 981 O MET A 64 -4.651 -0.829 -3.916 1.00 0.00 O ATOM 982 CB MET A 64 -3.287 1.986 -2.846 1.00 0.00 C ATOM 983 CG MET A 64 -2.085 1.117 -3.185 1.00 0.00 C ATOM 984 SD MET A 64 -0.578 1.662 -2.357 1.00 0.00 S ATOM 985 CE MET A 64 -0.960 1.258 -0.656 1.00 0.00 C ATOM 0 H MET A 64 -5.435 3.091 -2.365 1.00 0.00 H new ATOM 0 HA MET A 64 -4.504 1.592 -4.570 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.080 3.009 -3.160 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.413 2.004 -1.763 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.297 0.085 -2.904 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.927 1.127 -4.263 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.035 1.161 -0.088 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.570 2.050 -0.222 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.508 0.317 -0.620 1.00 0.00 H new ATOM 995 N MET A 65 -5.395 -0.129 -1.910 1.00 0.00 N ATOM 996 CA MET A 65 -5.670 -1.474 -1.418 1.00 0.00 C ATOM 997 C MET A 65 -6.712 -2.174 -2.281 1.00 0.00 C ATOM 998 O MET A 65 -6.700 -3.399 -2.414 1.00 0.00 O ATOM 999 CB MET A 65 -6.139 -1.418 0.034 1.00 0.00 C ATOM 1000 CG MET A 65 -5.066 -0.994 1.027 1.00 0.00 C ATOM 1001 SD MET A 65 -3.676 -2.142 1.080 1.00 0.00 S ATOM 1002 CE MET A 65 -4.433 -3.553 1.882 1.00 0.00 C ATOM 0 H MET A 65 -5.626 0.616 -1.253 1.00 0.00 H new ATOM 0 HA MET A 65 -4.746 -2.049 -1.472 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.977 -0.725 0.106 1.00 0.00 H new ATOM 0 HB3 MET A 65 -6.513 -2.401 0.320 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.702 -0.001 0.761 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.506 -0.917 2.021 1.00 0.00 H new ATOM 0 HE1 MET A 65 -3.658 -4.253 2.195 1.00 0.00 H new ATOM 0 HE2 MET A 65 -4.993 -3.218 2.755 1.00 0.00 H new ATOM 0 HE3 MET A 65 -5.109 -4.048 1.185 1.00 0.00 H new ATOM 1012 N GLU A 66 -7.611 -1.391 -2.867 1.00 0.00 N ATOM 1013 CA GLU A 66 -8.601 -1.922 -3.797 1.00 0.00 C ATOM 1014 C GLU A 66 -7.950 -2.363 -5.102 1.00 0.00 C ATOM 1015 O GLU A 66 -8.405 -3.308 -5.746 1.00 0.00 O ATOM 1016 CB GLU A 66 -9.687 -0.882 -4.076 1.00 0.00 C ATOM 1017 CG GLU A 66 -10.605 -0.599 -2.896 1.00 0.00 C ATOM 1018 CD GLU A 66 -11.598 0.482 -3.223 1.00 0.00 C ATOM 1019 OE1 GLU A 66 -11.522 1.026 -4.299 1.00 0.00 O ATOM 1020 OE2 GLU A 66 -12.501 0.686 -2.446 1.00 0.00 O ATOM 0 H GLU A 66 -7.675 -0.385 -2.714 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.059 -2.795 -3.333 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.211 0.050 -4.382 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.291 -1.222 -4.917 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.135 -1.510 -2.618 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.010 -0.300 -2.033 1.00 0.00 H new