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+ -154:sc= 0.568 (180deg=-0.403) USER MOD Single : A 1 SER OG : rot 180:sc= 0.241 USER MOD Single : A 6 SER OG : rot 56:sc= 1.23 USER MOD Single : A 8 CYS SG : rot 81:sc= 0.457 USER MOD Single : A 14 LYS NZ :NH3+ 164:sc= 1.07 (180deg=0.902) USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 32 THR OG1 : rot 65:sc= 0.832 USER MOD Single : A 35 GLN : amide:sc= -0.0211 X(o=-0.021,f=-0.15) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.204 USER MOD Single : A 48 SER OG : rot -116:sc= 1.37 USER MOD Single : A 50 THR OG1 : rot 124:sc= 0.913 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.0284 K(o=-0.028,f=-1.2!) USER MOD Single : A 63 LYS NZ :NH3+ 179:sc= 0.912 (180deg=0.911) USER MOD Single : A 64 MET CE :methyl -141:sc= -0.0494 (180deg=-0.303) USER MOD Single : A 65 MET CE :methyl -178:sc= -0.219 (180deg=-0.276) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -14.881 -0.237 6.549 1.00 0.00 N ATOM 2 CA SER A 1 -14.942 1.218 6.636 1.00 0.00 C ATOM 3 C SER A 1 -13.548 1.830 6.610 1.00 0.00 C ATOM 4 O SER A 1 -12.546 1.121 6.709 1.00 0.00 O ATOM 5 CB SER A 1 -15.679 1.635 7.893 1.00 0.00 C ATOM 6 OG SER A 1 -14.937 1.369 9.051 1.00 0.00 O ATOM 0 H1 SER A 1 -15.765 -0.597 6.136 1.00 0.00 H new ATOM 0 H2 SER A 1 -14.079 -0.516 5.948 1.00 0.00 H new ATOM 0 H3 SER A 1 -14.755 -0.637 7.501 1.00 0.00 H new ATOM 0 HA SER A 1 -15.486 1.588 5.767 1.00 0.00 H new ATOM 0 HB2 SER A 1 -15.905 2.700 7.844 1.00 0.00 H new ATOM 0 HB3 SER A 1 -16.632 1.109 7.945 1.00 0.00 H new ATOM 0 HG SER A 1 -15.446 1.654 9.838 1.00 0.00 H new ATOM 14 N GLU A 2 -13.489 3.150 6.474 1.00 0.00 N ATOM 15 CA GLU A 2 -12.223 3.872 6.532 1.00 0.00 C ATOM 16 C GLU A 2 -11.613 3.802 7.926 1.00 0.00 C ATOM 17 O GLU A 2 -10.392 3.829 8.082 1.00 0.00 O ATOM 18 CB GLU A 2 -12.418 5.331 6.116 1.00 0.00 C ATOM 19 CG GLU A 2 -12.742 5.525 4.640 1.00 0.00 C ATOM 20 CD GLU A 2 -13.018 6.970 4.329 1.00 0.00 C ATOM 21 OE1 GLU A 2 -13.017 7.765 5.237 1.00 0.00 O ATOM 22 OE2 GLU A 2 -13.119 7.297 3.169 1.00 0.00 O ATOM 0 H GLU A 2 -14.305 3.743 6.322 1.00 0.00 H new ATOM 0 HA GLU A 2 -11.535 3.395 5.834 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -13.222 5.762 6.712 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -11.512 5.888 6.353 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -11.908 5.172 4.033 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -13.609 4.921 4.373 1.00 0.00 H new ATOM 29 N GLU A 3 -12.470 3.713 8.938 1.00 0.00 N ATOM 30 CA GLU A 3 -12.016 3.558 10.315 1.00 0.00 C ATOM 31 C GLU A 3 -11.416 2.177 10.544 1.00 0.00 C ATOM 32 O GLU A 3 -10.458 2.024 11.302 1.00 0.00 O ATOM 33 CB GLU A 3 -13.171 3.799 11.290 1.00 0.00 C ATOM 34 CG GLU A 3 -13.644 5.244 11.359 1.00 0.00 C ATOM 35 CD GLU A 3 -14.846 5.382 12.252 1.00 0.00 C ATOM 36 OE1 GLU A 3 -15.319 4.383 12.739 1.00 0.00 O ATOM 37 OE2 GLU A 3 -15.223 6.494 12.538 1.00 0.00 O ATOM 0 H GLU A 3 -13.484 3.746 8.830 1.00 0.00 H new ATOM 0 HA GLU A 3 -11.239 4.301 10.496 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.012 3.168 11.002 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -12.862 3.483 12.286 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -12.837 5.876 11.731 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -13.890 5.597 10.357 1.00 0.00 H new ATOM 44 N GLU A 4 -11.985 1.173 9.886 1.00 0.00 N ATOM 45 CA GLU A 4 -11.426 -0.174 9.909 1.00 0.00 C ATOM 46 C GLU A 4 -10.121 -0.242 9.127 1.00 0.00 C ATOM 47 O GLU A 4 -9.218 -1.004 9.472 1.00 0.00 O ATOM 48 CB GLU A 4 -12.431 -1.181 9.346 1.00 0.00 C ATOM 49 CG GLU A 4 -13.620 -1.459 10.255 1.00 0.00 C ATOM 50 CD GLU A 4 -14.678 -2.253 9.542 1.00 0.00 C ATOM 51 OE1 GLU A 4 -14.567 -2.423 8.352 1.00 0.00 O ATOM 52 OE2 GLU A 4 -15.539 -2.785 10.203 1.00 0.00 O ATOM 0 H GLU A 4 -12.834 1.267 9.329 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.214 -0.429 10.947 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -12.800 -0.812 8.389 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.914 -2.120 9.148 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -13.286 -2.004 11.138 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.042 -0.517 10.603 1.00 0.00 H new ATOM 59 N LEU A 5 -10.028 0.558 8.070 1.00 0.00 N ATOM 60 CA LEU A 5 -8.831 0.593 7.238 1.00 0.00 C ATOM 61 C LEU A 5 -7.778 1.522 7.829 1.00 0.00 C ATOM 62 O LEU A 5 -6.615 1.494 7.424 1.00 0.00 O ATOM 63 CB LEU A 5 -9.189 1.030 5.812 1.00 0.00 C ATOM 64 CG LEU A 5 -10.079 0.052 5.034 1.00 0.00 C ATOM 65 CD1 LEU A 5 -10.400 0.621 3.658 1.00 0.00 C ATOM 66 CD2 LEU A 5 -9.374 -1.291 4.912 1.00 0.00 C ATOM 0 H LEU A 5 -10.768 1.192 7.769 1.00 0.00 H new ATOM 0 HA LEU A 5 -8.412 -0.413 7.205 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -9.693 1.995 5.861 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.266 1.180 5.252 1.00 0.00 H new ATOM 0 HG LEU A 5 -11.017 -0.093 5.571 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -11.032 -0.080 3.113 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -10.924 1.570 3.770 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -9.474 0.780 3.105 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -10.007 -1.985 4.359 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -8.430 -1.160 4.382 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -9.179 -1.691 5.907 1.00 0.00 H new ATOM 78 N SER A 6 -8.191 2.344 8.787 1.00 0.00 N ATOM 79 CA SER A 6 -7.252 3.109 9.598 1.00 0.00 C ATOM 80 C SER A 6 -6.401 2.191 10.467 1.00 0.00 C ATOM 81 O SER A 6 -5.207 2.426 10.649 1.00 0.00 O ATOM 82 CB SER A 6 -7.999 4.107 10.460 1.00 0.00 C ATOM 83 OG SER A 6 -8.623 5.101 9.693 1.00 0.00 O ATOM 0 H SER A 6 -9.172 2.498 9.021 1.00 0.00 H new ATOM 0 HA SER A 6 -6.585 3.649 8.926 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.748 3.584 11.054 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.305 4.572 11.160 1.00 0.00 H new ATOM 0 HG SER A 6 -9.216 4.682 9.035 1.00 0.00 H new ATOM 89 N GLU A 7 -7.023 1.145 11.000 1.00 0.00 N ATOM 90 CA GLU A 7 -6.300 0.123 11.747 1.00 0.00 C ATOM 91 C GLU A 7 -5.333 -0.636 10.847 1.00 0.00 C ATOM 92 O GLU A 7 -4.195 -0.907 11.232 1.00 0.00 O ATOM 93 CB GLU A 7 -7.278 -0.852 12.407 1.00 0.00 C ATOM 94 CG GLU A 7 -8.088 -0.253 13.547 1.00 0.00 C ATOM 95 CD GLU A 7 -9.111 -1.228 14.062 1.00 0.00 C ATOM 96 OE1 GLU A 7 -9.224 -2.292 13.502 1.00 0.00 O ATOM 97 OE2 GLU A 7 -9.703 -0.956 15.080 1.00 0.00 O ATOM 0 H GLU A 7 -8.027 0.983 10.928 1.00 0.00 H new ATOM 0 HA GLU A 7 -5.722 0.625 12.523 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.964 -1.229 11.649 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -6.719 -1.708 12.785 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.419 0.038 14.357 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.587 0.654 13.204 1.00 0.00 H new ATOM 104 N CYS A 8 -5.791 -0.976 9.648 1.00 0.00 N ATOM 105 CA CYS A 8 -4.945 -1.639 8.663 1.00 0.00 C ATOM 106 C CYS A 8 -3.778 -0.752 8.253 1.00 0.00 C ATOM 107 O CYS A 8 -2.648 -1.220 8.111 1.00 0.00 O ATOM 108 CB CYS A 8 -5.899 -1.854 7.488 1.00 0.00 C ATOM 109 SG CYS A 8 -7.240 -3.023 7.814 1.00 0.00 S ATOM 0 H CYS A 8 -6.746 -0.803 9.334 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.496 -2.560 9.035 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.332 -0.894 7.207 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.326 -2.208 6.631 1.00 0.00 H new ATOM 0 HG CYS A 8 -8.188 -2.423 8.471 1.00 0.00 H new ATOM 115 N PHE A 9 -4.057 0.533 8.061 1.00 0.00 N ATOM 116 CA PHE A 9 -3.021 1.499 7.711 1.00 0.00 C ATOM 117 C PHE A 9 -1.896 1.496 8.739 1.00 0.00 C ATOM 118 O PHE A 9 -0.718 1.534 8.384 1.00 0.00 O ATOM 119 CB PHE A 9 -3.618 2.902 7.588 1.00 0.00 C ATOM 120 CG PHE A 9 -2.619 3.953 7.199 1.00 0.00 C ATOM 121 CD1 PHE A 9 -2.186 4.067 5.886 1.00 0.00 C ATOM 122 CD2 PHE A 9 -2.109 4.830 8.145 1.00 0.00 C ATOM 123 CE1 PHE A 9 -1.266 5.034 5.528 1.00 0.00 C ATOM 124 CE2 PHE A 9 -1.191 5.798 7.788 1.00 0.00 C ATOM 125 CZ PHE A 9 -0.769 5.900 6.478 1.00 0.00 C ATOM 0 H PHE A 9 -4.993 0.930 8.142 1.00 0.00 H new ATOM 0 HA PHE A 9 -2.603 1.207 6.748 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -4.418 2.883 6.848 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.071 3.179 8.540 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.572 3.393 5.136 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.434 4.755 9.172 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.936 5.111 4.503 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.803 6.475 8.534 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.051 6.657 6.198 1.00 0.00 H new ATOM 135 N ARG A 10 -2.267 1.452 10.015 1.00 0.00 N ATOM 136 CA ARG A 10 -1.290 1.387 11.095 1.00 0.00 C ATOM 137 C ARG A 10 -0.500 0.086 11.046 1.00 0.00 C ATOM 138 O ARG A 10 0.689 0.058 11.365 1.00 0.00 O ATOM 139 CB ARG A 10 -1.928 1.600 12.460 1.00 0.00 C ATOM 140 CG ARG A 10 -2.371 3.028 12.742 1.00 0.00 C ATOM 141 CD ARG A 10 -3.010 3.219 14.069 1.00 0.00 C ATOM 142 NE ARG A 10 -3.380 4.592 14.367 1.00 0.00 N ATOM 143 CZ ARG A 10 -3.983 4.994 15.504 1.00 0.00 C ATOM 144 NH1 ARG A 10 -4.319 4.127 16.434 1.00 0.00 N ATOM 145 NH2 ARG A 10 -4.250 6.280 15.649 1.00 0.00 N ATOM 0 H ARG A 10 -3.238 1.460 10.326 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.590 2.209 10.943 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.793 0.942 12.548 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.217 1.297 13.229 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.505 3.685 12.671 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.071 3.339 11.967 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.903 2.596 14.121 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.328 2.864 14.841 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.169 5.302 13.666 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.124 3.135 16.301 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.775 4.447 17.289 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -4.001 6.939 14.912 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.706 6.614 16.498 1.00 0.00 H new ATOM 159 N ILE A 11 -1.167 -0.991 10.644 1.00 0.00 N ATOM 160 CA ILE A 11 -0.515 -2.287 10.501 1.00 0.00 C ATOM 161 C ILE A 11 0.512 -2.267 9.376 1.00 0.00 C ATOM 162 O ILE A 11 1.627 -2.766 9.531 1.00 0.00 O ATOM 163 CB ILE A 11 -1.536 -3.406 10.232 1.00 0.00 C ATOM 164 CG1 ILE A 11 -2.400 -3.652 11.472 1.00 0.00 C ATOM 165 CG2 ILE A 11 -0.827 -4.685 9.812 1.00 0.00 C ATOM 166 CD1 ILE A 11 -3.600 -4.534 11.215 1.00 0.00 C ATOM 0 H ILE A 11 -2.160 -0.991 10.411 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.009 -2.489 11.445 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.187 -3.091 9.416 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.785 -4.109 12.247 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.742 -2.693 11.861 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.565 -5.466 9.626 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.255 -4.502 8.902 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.153 -5.005 10.606 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.162 -4.662 12.140 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.239 -4.070 10.463 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.266 -5.507 10.856 1.00 0.00 H new ATOM 178 N PHE A 12 0.129 -1.687 8.243 1.00 0.00 N ATOM 179 CA PHE A 12 0.983 -1.676 7.063 1.00 0.00 C ATOM 180 C PHE A 12 2.092 -0.639 7.193 1.00 0.00 C ATOM 181 O PHE A 12 3.183 -0.811 6.652 1.00 0.00 O ATOM 182 CB PHE A 12 0.155 -1.405 5.805 1.00 0.00 C ATOM 183 CG PHE A 12 -0.717 -2.558 5.394 1.00 0.00 C ATOM 184 CD1 PHE A 12 -0.157 -3.737 4.928 1.00 0.00 C ATOM 185 CD2 PHE A 12 -2.098 -2.464 5.472 1.00 0.00 C ATOM 186 CE1 PHE A 12 -0.956 -4.798 4.548 1.00 0.00 C ATOM 187 CE2 PHE A 12 -2.900 -3.524 5.094 1.00 0.00 C ATOM 188 CZ PHE A 12 -2.329 -4.691 4.630 1.00 0.00 C ATOM 0 H PHE A 12 -0.768 -1.218 8.118 1.00 0.00 H new ATOM 0 HA PHE A 12 1.445 -2.659 6.978 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -0.472 -0.530 5.975 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.828 -1.160 4.984 1.00 0.00 H new ATOM 0 HD1 PHE A 12 0.917 -3.827 4.861 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.552 -1.553 5.832 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.506 -5.711 4.187 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.974 -3.439 5.162 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.955 -5.519 4.332 1.00 0.00 H new ATOM 198 N ASP A 13 1.804 0.438 7.916 1.00 0.00 N ATOM 199 CA ASP A 13 2.819 1.428 8.253 1.00 0.00 C ATOM 200 C ASP A 13 3.709 0.940 9.390 1.00 0.00 C ATOM 201 O ASP A 13 3.635 1.444 10.510 1.00 0.00 O ATOM 202 CB ASP A 13 2.167 2.760 8.632 1.00 0.00 C ATOM 203 CG ASP A 13 3.149 3.902 8.850 1.00 0.00 C ATOM 204 OD1 ASP A 13 4.316 3.713 8.598 1.00 0.00 O ATOM 205 OD2 ASP A 13 2.709 4.995 9.115 1.00 0.00 O ATOM 0 H ASP A 13 0.874 0.647 8.280 1.00 0.00 H new ATOM 0 HA ASP A 13 3.442 1.578 7.371 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.467 3.044 7.846 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.585 2.619 9.542 1.00 0.00 H new ATOM 210 N LYS A 14 4.549 -0.046 9.096 1.00 0.00 N ATOM 211 CA LYS A 14 5.377 -0.679 10.116 1.00 0.00 C ATOM 212 C LYS A 14 6.522 0.234 10.538 1.00 0.00 C ATOM 213 O LYS A 14 7.037 0.125 11.651 1.00 0.00 O ATOM 214 CB LYS A 14 5.927 -2.012 9.609 1.00 0.00 C ATOM 215 CG LYS A 14 4.876 -3.103 9.442 1.00 0.00 C ATOM 216 CD LYS A 14 5.466 -4.343 8.787 1.00 0.00 C ATOM 217 CE LYS A 14 4.457 -5.482 8.747 1.00 0.00 C ATOM 218 NZ LYS A 14 4.921 -6.607 7.890 1.00 0.00 N ATOM 0 H LYS A 14 4.675 -0.425 8.157 1.00 0.00 H new ATOM 0 HA LYS A 14 4.749 -0.865 10.987 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.418 -1.847 8.650 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.691 -2.363 10.302 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.463 -3.365 10.416 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.051 -2.727 8.837 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.787 -4.103 7.773 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.353 -4.659 9.336 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.281 -5.846 9.759 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.504 -5.109 8.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.357 -7.456 8.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.807 -6.350 6.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.924 -6.802 8.086 1.00 0.00 H new ATOM 232 N ASP A 15 6.917 1.132 9.643 1.00 0.00 N ATOM 233 CA ASP A 15 7.914 2.147 9.964 1.00 0.00 C ATOM 234 C ASP A 15 7.340 3.208 10.893 1.00 0.00 C ATOM 235 O ASP A 15 8.037 3.726 11.765 1.00 0.00 O ATOM 236 CB ASP A 15 8.446 2.799 8.686 1.00 0.00 C ATOM 237 CG ASP A 15 9.388 1.919 7.875 1.00 0.00 C ATOM 238 OD1 ASP A 15 9.833 0.923 8.395 1.00 0.00 O ATOM 239 OD2 ASP A 15 9.532 2.161 6.701 1.00 0.00 O ATOM 0 H ASP A 15 6.562 1.178 8.688 1.00 0.00 H new ATOM 0 HA ASP A 15 8.738 1.653 10.479 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.601 3.081 8.058 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.967 3.719 8.952 1.00 0.00 H new ATOM 244 N GLY A 16 6.065 3.527 10.703 1.00 0.00 N ATOM 245 CA GLY A 16 5.396 4.535 11.518 1.00 0.00 C ATOM 246 C GLY A 16 5.677 5.939 10.998 1.00 0.00 C ATOM 247 O GLY A 16 5.839 6.879 11.776 1.00 0.00 O ATOM 0 H GLY A 16 5.472 3.101 9.990 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.321 4.352 11.517 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.733 4.453 12.551 1.00 0.00 H new ATOM 251 N ASN A 17 5.734 6.075 9.678 1.00 0.00 N ATOM 252 CA ASN A 17 6.150 7.326 9.053 1.00 0.00 C ATOM 253 C ASN A 17 4.946 8.168 8.652 1.00 0.00 C ATOM 254 O ASN A 17 5.086 9.338 8.295 1.00 0.00 O ATOM 255 CB ASN A 17 7.040 7.076 7.849 1.00 0.00 C ATOM 256 CG ASN A 17 8.394 6.527 8.202 1.00 0.00 C ATOM 257 OD1 ASN A 17 8.914 6.758 9.300 1.00 0.00 O ATOM 258 ND2 ASN A 17 9.003 5.869 7.248 1.00 0.00 N ATOM 0 H ASN A 17 5.497 5.334 9.019 1.00 0.00 H new ATOM 0 HA ASN A 17 6.727 7.879 9.794 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.539 6.379 7.177 1.00 0.00 H new ATOM 0 HB3 ASN A 17 7.168 8.010 7.302 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.951 5.521 7.393 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.530 5.705 6.359 1.00 0.00 H new ATOM 265 N GLY A 18 3.763 7.567 8.714 1.00 0.00 N ATOM 266 CA GLY A 18 2.531 8.264 8.362 1.00 0.00 C ATOM 267 C GLY A 18 2.193 8.074 6.888 1.00 0.00 C ATOM 268 O GLY A 18 1.393 8.821 6.324 1.00 0.00 O ATOM 0 H GLY A 18 3.631 6.598 9.005 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.711 7.892 8.977 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.636 9.327 8.580 1.00 0.00 H new ATOM 272 N PHE A 19 2.806 7.071 6.270 1.00 0.00 N ATOM 273 CA PHE A 19 2.533 6.749 4.875 1.00 0.00 C ATOM 274 C PHE A 19 3.007 5.344 4.530 1.00 0.00 C ATOM 275 O PHE A 19 3.670 4.688 5.333 1.00 0.00 O ATOM 276 CB PHE A 19 3.200 7.771 3.951 1.00 0.00 C ATOM 277 CG PHE A 19 4.692 7.843 4.104 1.00 0.00 C ATOM 278 CD1 PHE A 19 5.516 6.942 3.446 1.00 0.00 C ATOM 279 CD2 PHE A 19 5.276 8.812 4.907 1.00 0.00 C ATOM 280 CE1 PHE A 19 6.889 7.008 3.587 1.00 0.00 C ATOM 281 CE2 PHE A 19 6.648 8.881 5.048 1.00 0.00 C ATOM 282 CZ PHE A 19 7.455 7.977 4.387 1.00 0.00 C ATOM 0 H PHE A 19 3.497 6.466 6.714 1.00 0.00 H new ATOM 0 HA PHE A 19 1.454 6.789 4.728 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.962 7.522 2.917 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.776 8.756 4.147 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.080 6.181 2.817 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.650 9.521 5.428 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.519 6.300 3.070 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.089 9.642 5.675 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.528 8.029 4.497 1.00 0.00 H new ATOM 292 N ILE A 20 2.662 4.885 3.331 1.00 0.00 N ATOM 293 CA ILE A 20 3.012 3.539 2.896 1.00 0.00 C ATOM 294 C ILE A 20 4.291 3.543 2.068 1.00 0.00 C ATOM 295 O ILE A 20 4.350 4.155 1.002 1.00 0.00 O ATOM 296 CB ILE A 20 1.881 2.899 2.072 1.00 0.00 C ATOM 297 CG1 ILE A 20 0.578 2.882 2.876 1.00 0.00 C ATOM 298 CG2 ILE A 20 2.264 1.491 1.644 1.00 0.00 C ATOM 299 CD1 ILE A 20 0.667 2.097 4.166 1.00 0.00 C ATOM 0 H ILE A 20 2.139 5.427 2.643 1.00 0.00 H new ATOM 0 HA ILE A 20 3.169 2.949 3.799 1.00 0.00 H new ATOM 0 HB ILE A 20 1.725 3.499 1.175 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.290 3.908 3.105 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.214 2.459 2.258 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.452 1.054 1.062 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.167 1.529 1.035 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.447 0.879 2.527 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.294 2.131 4.680 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.924 1.061 3.945 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.435 2.533 4.805 1.00 0.00 H new ATOM 311 N ASP A 21 5.313 2.855 2.565 1.00 0.00 N ATOM 312 CA ASP A 21 6.564 2.703 1.830 1.00 0.00 C ATOM 313 C ASP A 21 6.451 1.613 0.772 1.00 0.00 C ATOM 314 O ASP A 21 5.474 0.865 0.739 1.00 0.00 O ATOM 315 CB ASP A 21 7.715 2.388 2.789 1.00 0.00 C ATOM 316 CG ASP A 21 9.086 2.817 2.287 1.00 0.00 C ATOM 317 OD1 ASP A 21 9.169 3.300 1.183 1.00 0.00 O ATOM 318 OD2 ASP A 21 10.012 2.806 3.064 1.00 0.00 O ATOM 0 H ASP A 21 5.300 2.393 3.474 1.00 0.00 H new ATOM 0 HA ASP A 21 6.772 3.647 1.327 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.521 2.878 3.743 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.730 1.315 2.979 1.00 0.00 H new ATOM 323 N ARG A 22 7.457 1.528 -0.091 1.00 0.00 N ATOM 324 CA ARG A 22 7.468 0.535 -1.160 1.00 0.00 C ATOM 325 C ARG A 22 7.449 -0.880 -0.596 1.00 0.00 C ATOM 326 O ARG A 22 6.702 -1.736 -1.068 1.00 0.00 O ATOM 327 CB ARG A 22 8.633 0.736 -2.119 1.00 0.00 C ATOM 328 CG ARG A 22 8.649 -0.207 -3.311 1.00 0.00 C ATOM 329 CD ARG A 22 9.790 0.001 -4.239 1.00 0.00 C ATOM 330 NE ARG A 22 11.099 -0.225 -3.647 1.00 0.00 N ATOM 331 CZ ARG A 22 12.262 0.206 -4.174 1.00 0.00 C ATOM 332 NH1 ARG A 22 12.289 0.850 -5.319 1.00 0.00 N ATOM 333 NH2 ARG A 22 13.379 -0.059 -3.519 1.00 0.00 N ATOM 0 H ARG A 22 8.276 2.135 -0.072 1.00 0.00 H new ATOM 0 HA ARG A 22 6.556 0.677 -1.739 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.610 1.762 -2.486 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.565 0.616 -1.566 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.675 -1.234 -2.947 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.718 -0.089 -3.866 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.672 -0.665 -5.094 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.750 1.021 -4.621 1.00 0.00 H new ATOM 0 HE ARG A 22 11.140 -0.746 -2.771 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.421 1.031 -5.823 1.00 0.00 H new ATOM 0 HH12 ARG A 22 13.178 1.169 -5.704 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.345 -0.576 -2.641 1.00 0.00 H new ATOM 0 HH22 ARG A 22 14.275 0.254 -3.892 1.00 0.00 H new ATOM 347 N GLU A 23 8.275 -1.119 0.417 1.00 0.00 N ATOM 348 CA GLU A 23 8.339 -2.425 1.062 1.00 0.00 C ATOM 349 C GLU A 23 7.057 -2.724 1.830 1.00 0.00 C ATOM 350 O GLU A 23 6.612 -3.869 1.892 1.00 0.00 O ATOM 351 CB GLU A 23 9.544 -2.501 2.002 1.00 0.00 C ATOM 352 CG GLU A 23 10.892 -2.513 1.295 1.00 0.00 C ATOM 353 CD GLU A 23 12.026 -2.444 2.280 1.00 0.00 C ATOM 354 OE1 GLU A 23 11.762 -2.328 3.453 1.00 0.00 O ATOM 355 OE2 GLU A 23 13.150 -2.619 1.875 1.00 0.00 O ATOM 0 H GLU A 23 8.910 -0.424 0.809 1.00 0.00 H new ATOM 0 HA GLU A 23 8.452 -3.176 0.281 1.00 0.00 H new ATOM 0 HB2 GLU A 23 9.512 -1.651 2.683 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.459 -3.401 2.611 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.983 -3.419 0.696 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.952 -1.669 0.608 1.00 0.00 H new ATOM 362 N GLU A 24 6.468 -1.685 2.413 1.00 0.00 N ATOM 363 CA GLU A 24 5.203 -1.823 3.125 1.00 0.00 C ATOM 364 C GLU A 24 4.053 -2.083 2.160 1.00 0.00 C ATOM 365 O GLU A 24 3.079 -2.752 2.507 1.00 0.00 O ATOM 366 CB GLU A 24 4.917 -0.570 3.956 1.00 0.00 C ATOM 367 CG GLU A 24 5.852 -0.376 5.142 1.00 0.00 C ATOM 368 CD GLU A 24 5.665 0.977 5.770 1.00 0.00 C ATOM 369 OE1 GLU A 24 4.924 1.764 5.230 1.00 0.00 O ATOM 370 OE2 GLU A 24 6.171 1.185 6.848 1.00 0.00 O ATOM 0 H GLU A 24 6.847 -0.738 2.406 1.00 0.00 H new ATOM 0 HA GLU A 24 5.289 -2.680 3.793 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.985 0.304 3.308 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.891 -0.617 4.321 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.667 -1.152 5.884 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.886 -0.488 4.815 1.00 0.00 H new ATOM 377 N PHE A 25 4.173 -1.552 0.948 1.00 0.00 N ATOM 378 CA PHE A 25 3.188 -1.801 -0.098 1.00 0.00 C ATOM 379 C PHE A 25 3.183 -3.268 -0.512 1.00 0.00 C ATOM 380 O PHE A 25 2.135 -3.827 -0.835 1.00 0.00 O ATOM 381 CB PHE A 25 3.462 -0.912 -1.312 1.00 0.00 C ATOM 382 CG PHE A 25 2.473 -1.091 -2.429 1.00 0.00 C ATOM 383 CD1 PHE A 25 1.160 -0.666 -2.287 1.00 0.00 C ATOM 384 CD2 PHE A 25 2.853 -1.684 -3.624 1.00 0.00 C ATOM 385 CE1 PHE A 25 0.249 -0.829 -3.314 1.00 0.00 C ATOM 386 CE2 PHE A 25 1.945 -1.847 -4.652 1.00 0.00 C ATOM 387 CZ PHE A 25 0.641 -1.419 -4.496 1.00 0.00 C ATOM 0 H PHE A 25 4.943 -0.946 0.666 1.00 0.00 H new ATOM 0 HA PHE A 25 2.204 -1.558 0.304 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.455 0.131 -0.996 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.463 -1.124 -1.688 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.846 -0.202 -1.363 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.871 -2.022 -3.752 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.770 -0.494 -3.190 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.255 -2.309 -5.578 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.070 -1.547 -5.299 1.00 0.00 H new ATOM 397 N GLY A 26 4.359 -3.885 -0.499 1.00 0.00 N ATOM 398 CA GLY A 26 4.483 -5.304 -0.810 1.00 0.00 C ATOM 399 C GLY A 26 3.582 -6.144 0.086 1.00 0.00 C ATOM 400 O GLY A 26 3.058 -7.174 -0.338 1.00 0.00 O ATOM 0 H GLY A 26 5.241 -3.424 -0.276 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.223 -5.474 -1.855 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.519 -5.617 -0.685 1.00 0.00 H new ATOM 404 N ASP A 27 3.405 -5.698 1.324 1.00 0.00 N ATOM 405 CA ASP A 27 2.532 -6.385 2.269 1.00 0.00 C ATOM 406 C ASP A 27 1.067 -6.205 1.896 1.00 0.00 C ATOM 407 O ASP A 27 0.246 -7.096 2.115 1.00 0.00 O ATOM 408 CB ASP A 27 2.779 -5.879 3.693 1.00 0.00 C ATOM 409 CG ASP A 27 4.099 -6.333 4.301 1.00 0.00 C ATOM 410 OD1 ASP A 27 4.706 -7.224 3.758 1.00 0.00 O ATOM 411 OD2 ASP A 27 4.565 -5.684 5.207 1.00 0.00 O ATOM 0 H ASP A 27 3.855 -4.862 1.698 1.00 0.00 H new ATOM 0 HA ASP A 27 2.766 -7.449 2.226 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.751 -4.789 3.689 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.963 -6.217 4.332 1.00 0.00 H new ATOM 416 N ILE A 28 0.742 -5.047 1.332 1.00 0.00 N ATOM 417 CA ILE A 28 -0.622 -4.757 0.906 1.00 0.00 C ATOM 418 C ILE A 28 -1.043 -5.660 -0.246 1.00 0.00 C ATOM 419 O ILE A 28 -2.141 -6.215 -0.243 1.00 0.00 O ATOM 420 CB ILE A 28 -0.779 -3.286 0.477 1.00 0.00 C ATOM 421 CG1 ILE A 28 -0.616 -2.358 1.683 1.00 0.00 C ATOM 422 CG2 ILE A 28 -2.129 -3.068 -0.187 1.00 0.00 C ATOM 423 CD1 ILE A 28 -0.519 -0.894 1.319 1.00 0.00 C ATOM 0 H ILE A 28 1.406 -4.292 1.159 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.266 -4.946 1.765 1.00 0.00 H new ATOM 0 HB ILE A 28 0.002 -3.050 -0.246 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.462 -2.500 2.356 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.280 -2.646 2.233 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.224 -2.024 -0.484 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.208 -3.705 -1.068 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.924 -3.319 0.515 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.405 -0.300 2.226 1.00 0.00 H new ATOM 0 HD12 ILE A 28 0.344 -0.736 0.672 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.425 -0.588 0.797 1.00 0.00 H new ATOM 435 N ILE A 29 -0.163 -5.803 -1.231 1.00 0.00 N ATOM 436 CA ILE A 29 -0.444 -6.635 -2.395 1.00 0.00 C ATOM 437 C ILE A 29 -0.329 -8.115 -2.053 1.00 0.00 C ATOM 438 O ILE A 29 -0.854 -8.969 -2.768 1.00 0.00 O ATOM 439 CB ILE A 29 0.507 -6.313 -3.563 1.00 0.00 C ATOM 440 CG1 ILE A 29 1.955 -6.618 -3.173 1.00 0.00 C ATOM 441 CG2 ILE A 29 0.360 -4.858 -3.982 1.00 0.00 C ATOM 442 CD1 ILE A 29 2.936 -6.489 -4.316 1.00 0.00 C ATOM 0 H ILE A 29 0.752 -5.353 -1.246 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.467 -6.413 -2.700 1.00 0.00 H new ATOM 0 HB ILE A 29 0.240 -6.943 -4.411 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.255 -5.943 -2.371 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.008 -7.631 -2.774 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.039 -4.647 -4.808 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.666 -4.673 -4.299 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.602 -4.210 -3.139 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.940 -6.721 -3.961 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.663 -7.183 -5.110 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.913 -5.470 -4.702 1.00 0.00 H new ATOM 454 N ARG A 30 0.358 -8.413 -0.957 1.00 0.00 N ATOM 455 CA ARG A 30 0.422 -9.775 -0.440 1.00 0.00 C ATOM 456 C ARG A 30 -0.948 -10.255 0.020 1.00 0.00 C ATOM 457 O ARG A 30 -1.315 -11.410 -0.193 1.00 0.00 O ATOM 458 CB ARG A 30 1.461 -9.922 0.662 1.00 0.00 C ATOM 459 CG ARG A 30 1.606 -11.328 1.223 1.00 0.00 C ATOM 460 CD ARG A 30 2.692 -11.479 2.225 1.00 0.00 C ATOM 461 NE ARG A 30 2.818 -12.818 2.779 1.00 0.00 N ATOM 462 CZ ARG A 30 3.693 -13.167 3.742 1.00 0.00 C ATOM 463 NH1 ARG A 30 4.544 -12.296 4.233 1.00 0.00 N ATOM 464 NH2 ARG A 30 3.688 -14.420 4.164 1.00 0.00 N ATOM 0 H ARG A 30 0.879 -7.729 -0.408 1.00 0.00 H new ATOM 0 HA ARG A 30 0.741 -10.415 -1.263 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.428 -9.600 0.275 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.203 -9.246 1.477 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.662 -11.623 1.681 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.790 -12.018 0.399 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.638 -11.200 1.761 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.517 -10.777 3.040 1.00 0.00 H new ATOM 0 HE ARG A 30 2.201 -13.543 2.413 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.550 -11.337 3.886 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.199 -12.578 4.962 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.034 -15.091 3.761 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.338 -14.716 4.892 1.00 0.00 H new ATOM 478 N LEU A 31 -1.702 -9.360 0.650 1.00 0.00 N ATOM 479 CA LEU A 31 -3.047 -9.681 1.111 1.00 0.00 C ATOM 480 C LEU A 31 -4.090 -9.321 0.061 1.00 0.00 C ATOM 481 O LEU A 31 -5.277 -9.599 0.231 1.00 0.00 O ATOM 482 CB LEU A 31 -3.343 -8.953 2.429 1.00 0.00 C ATOM 483 CG LEU A 31 -2.437 -9.338 3.606 1.00 0.00 C ATOM 484 CD1 LEU A 31 -2.804 -8.520 4.836 1.00 0.00 C ATOM 485 CD2 LEU A 31 -2.573 -10.827 3.887 1.00 0.00 C ATOM 0 H LEU A 31 -1.404 -8.406 0.853 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.099 -10.756 1.281 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.256 -7.880 2.260 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.378 -9.149 2.709 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.399 -9.123 3.352 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.156 -8.800 5.666 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.677 -7.459 4.619 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.842 -8.714 5.105 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.929 -11.100 4.723 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.609 -11.057 4.137 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.279 -11.392 3.003 1.00 0.00 H new ATOM 497 N THR A 32 -3.640 -8.700 -1.024 1.00 0.00 N ATOM 498 CA THR A 32 -4.457 -8.565 -2.224 1.00 0.00 C ATOM 499 C THR A 32 -4.504 -9.870 -3.008 1.00 0.00 C ATOM 500 O THR A 32 -5.554 -10.264 -3.515 1.00 0.00 O ATOM 501 CB THR A 32 -3.934 -7.445 -3.141 1.00 0.00 C ATOM 502 OG1 THR A 32 -3.983 -6.192 -2.446 1.00 0.00 O ATOM 503 CG2 THR A 32 -4.776 -7.352 -4.405 1.00 0.00 C ATOM 0 H THR A 32 -2.713 -8.282 -1.097 1.00 0.00 H new ATOM 0 HA THR A 32 -5.463 -8.309 -1.891 1.00 0.00 H new ATOM 0 HB THR A 32 -2.905 -7.675 -3.418 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.365 -6.215 -1.686 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.391 -6.555 -5.041 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.731 -8.299 -4.943 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.810 -7.136 -4.138 1.00 0.00 H new ATOM 511 N GLY A 33 -3.359 -10.537 -3.106 1.00 0.00 N ATOM 512 CA GLY A 33 -3.249 -11.760 -3.891 1.00 0.00 C ATOM 513 C GLY A 33 -2.462 -11.524 -5.174 1.00 0.00 C ATOM 514 O GLY A 33 -2.606 -12.264 -6.147 1.00 0.00 O ATOM 0 H GLY A 33 -2.493 -10.250 -2.650 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.759 -12.533 -3.298 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.245 -12.129 -4.135 1.00 0.00 H new ATOM 518 N GLU A 34 -1.629 -10.488 -5.168 1.00 0.00 N ATOM 519 CA GLU A 34 -0.825 -10.145 -6.334 1.00 0.00 C ATOM 520 C GLU A 34 0.652 -10.425 -6.088 1.00 0.00 C ATOM 521 O GLU A 34 1.345 -9.632 -5.452 1.00 0.00 O ATOM 522 CB GLU A 34 -1.027 -8.676 -6.710 1.00 0.00 C ATOM 523 CG GLU A 34 -2.433 -8.335 -7.183 1.00 0.00 C ATOM 524 CD GLU A 34 -2.705 -8.907 -8.546 1.00 0.00 C ATOM 525 OE1 GLU A 34 -1.792 -9.417 -9.149 1.00 0.00 O ATOM 526 OE2 GLU A 34 -3.848 -8.937 -8.939 1.00 0.00 O ATOM 0 H GLU A 34 -1.494 -9.871 -4.367 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.156 -10.771 -7.163 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.787 -8.056 -5.846 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.319 -8.414 -7.496 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.162 -8.723 -6.472 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.558 -7.252 -7.209 1.00 0.00 H new ATOM 533 N GLN A 35 1.127 -11.557 -6.595 1.00 0.00 N ATOM 534 CA GLN A 35 2.531 -11.928 -6.459 1.00 0.00 C ATOM 535 C GLN A 35 3.394 -11.203 -7.482 1.00 0.00 C ATOM 536 O GLN A 35 3.460 -11.601 -8.646 1.00 0.00 O ATOM 537 CB GLN A 35 2.703 -13.441 -6.615 1.00 0.00 C ATOM 538 CG GLN A 35 4.133 -13.925 -6.445 1.00 0.00 C ATOM 539 CD GLN A 35 4.646 -13.728 -5.032 1.00 0.00 C ATOM 540 OE1 GLN A 35 3.973 -14.075 -4.058 1.00 0.00 O ATOM 541 NE2 GLN A 35 5.843 -13.165 -4.911 1.00 0.00 N ATOM 0 H GLN A 35 0.560 -12.235 -7.105 1.00 0.00 H new ATOM 0 HA GLN A 35 2.857 -11.632 -5.462 1.00 0.00 H new ATOM 0 HB2 GLN A 35 2.071 -13.945 -5.883 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.346 -13.736 -7.602 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.189 -14.982 -6.705 1.00 0.00 H new ATOM 0 HG3 GLN A 35 4.780 -13.391 -7.141 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.365 -12.893 -5.744 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.240 -13.004 -3.985 1.00 0.00 H new ATOM 550 N LEU A 36 4.055 -10.137 -7.044 1.00 0.00 N ATOM 551 CA LEU A 36 4.861 -9.313 -7.938 1.00 0.00 C ATOM 552 C LEU A 36 6.346 -9.467 -7.637 1.00 0.00 C ATOM 553 O LEU A 36 6.732 -9.783 -6.512 1.00 0.00 O ATOM 554 CB LEU A 36 4.442 -7.842 -7.823 1.00 0.00 C ATOM 555 CG LEU A 36 2.975 -7.552 -8.164 1.00 0.00 C ATOM 556 CD1 LEU A 36 2.678 -6.071 -7.978 1.00 0.00 C ATOM 557 CD2 LEU A 36 2.689 -7.983 -9.595 1.00 0.00 C ATOM 0 H LEU A 36 4.049 -9.823 -6.074 1.00 0.00 H new ATOM 0 HA LEU A 36 4.689 -9.651 -8.960 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.635 -7.504 -6.805 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.076 -7.248 -8.481 1.00 0.00 H new ATOM 0 HG LEU A 36 2.329 -8.117 -7.492 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.634 -5.876 -8.223 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.867 -5.789 -6.942 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.320 -5.486 -8.636 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.646 -7.776 -9.836 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.335 -7.431 -10.277 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.880 -9.051 -9.698 1.00 0.00 H new ATOM 569 N THR A 37 7.175 -9.241 -8.650 1.00 0.00 N ATOM 570 CA THR A 37 8.623 -9.259 -8.474 1.00 0.00 C ATOM 571 C THR A 37 9.119 -7.955 -7.863 1.00 0.00 C ATOM 572 O THR A 37 8.356 -7.002 -7.705 1.00 0.00 O ATOM 573 CB THR A 37 9.352 -9.499 -9.809 1.00 0.00 C ATOM 574 OG1 THR A 37 9.138 -8.381 -10.681 1.00 0.00 O ATOM 575 CG2 THR A 37 8.836 -10.764 -10.478 1.00 0.00 C ATOM 0 H THR A 37 6.869 -9.043 -9.603 1.00 0.00 H new ATOM 0 HA THR A 37 8.847 -10.083 -7.796 1.00 0.00 H new ATOM 0 HB THR A 37 10.417 -9.614 -9.609 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.604 -8.534 -11.530 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.362 -10.918 -11.420 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.007 -11.618 -9.823 1.00 0.00 H new ATOM 0 HG23 THR A 37 7.768 -10.664 -10.671 1.00 0.00 H new ATOM 583 N ASP A 38 10.402 -7.919 -7.521 1.00 0.00 N ATOM 584 CA ASP A 38 11.008 -6.726 -6.942 1.00 0.00 C ATOM 585 C ASP A 38 10.795 -5.512 -7.837 1.00 0.00 C ATOM 586 O ASP A 38 10.610 -4.395 -7.352 1.00 0.00 O ATOM 587 CB ASP A 38 12.504 -6.945 -6.702 1.00 0.00 C ATOM 588 CG ASP A 38 12.825 -7.875 -5.539 1.00 0.00 C ATOM 589 OD1 ASP A 38 11.933 -8.175 -4.781 1.00 0.00 O ATOM 590 OD2 ASP A 38 13.911 -8.400 -5.507 1.00 0.00 O ATOM 0 H ASP A 38 11.043 -8.704 -7.635 1.00 0.00 H new ATOM 0 HA ASP A 38 10.521 -6.536 -5.986 1.00 0.00 H new ATOM 0 HB2 ASP A 38 12.950 -7.351 -7.610 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.976 -5.979 -6.520 1.00 0.00 H new ATOM 595 N GLU A 39 10.823 -5.735 -9.147 1.00 0.00 N ATOM 596 CA GLU A 39 10.644 -4.658 -10.112 1.00 0.00 C ATOM 597 C GLU A 39 9.169 -4.332 -10.308 1.00 0.00 C ATOM 598 O GLU A 39 8.790 -3.166 -10.414 1.00 0.00 O ATOM 599 CB GLU A 39 11.283 -5.028 -11.453 1.00 0.00 C ATOM 600 CG GLU A 39 12.802 -5.127 -11.419 1.00 0.00 C ATOM 601 CD GLU A 39 13.350 -5.551 -12.753 1.00 0.00 C ATOM 602 OE1 GLU A 39 12.572 -5.804 -13.640 1.00 0.00 O ATOM 603 OE2 GLU A 39 14.547 -5.514 -12.919 1.00 0.00 O ATOM 0 H GLU A 39 10.968 -6.654 -9.565 1.00 0.00 H new ATOM 0 HA GLU A 39 11.139 -3.771 -9.716 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.876 -5.983 -11.784 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.996 -4.284 -12.196 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.226 -4.162 -11.139 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.105 -5.842 -10.654 1.00 0.00 H new ATOM 610 N ASP A 40 8.340 -5.370 -10.353 1.00 0.00 N ATOM 611 CA ASP A 40 6.912 -5.200 -10.592 1.00 0.00 C ATOM 612 C ASP A 40 6.249 -4.442 -9.450 1.00 0.00 C ATOM 613 O ASP A 40 5.323 -3.659 -9.666 1.00 0.00 O ATOM 614 CB ASP A 40 6.234 -6.559 -10.784 1.00 0.00 C ATOM 615 CG ASP A 40 6.533 -7.228 -12.119 1.00 0.00 C ATOM 616 OD1 ASP A 40 7.043 -6.566 -12.992 1.00 0.00 O ATOM 617 OD2 ASP A 40 6.397 -8.425 -12.204 1.00 0.00 O ATOM 0 H ASP A 40 8.633 -6.339 -10.227 1.00 0.00 H new ATOM 0 HA ASP A 40 6.795 -4.614 -11.504 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.547 -7.225 -9.980 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.156 -6.430 -10.689 1.00 0.00 H new ATOM 622 N VAL A 41 6.728 -4.677 -8.233 1.00 0.00 N ATOM 623 CA VAL A 41 6.228 -3.968 -7.061 1.00 0.00 C ATOM 624 C VAL A 41 6.525 -2.476 -7.153 1.00 0.00 C ATOM 625 O VAL A 41 5.675 -1.644 -6.838 1.00 0.00 O ATOM 626 CB VAL A 41 6.838 -4.524 -5.761 1.00 0.00 C ATOM 627 CG1 VAL A 41 6.485 -3.628 -4.583 1.00 0.00 C ATOM 628 CG2 VAL A 41 6.356 -5.944 -5.511 1.00 0.00 C ATOM 0 H VAL A 41 7.464 -5.355 -8.032 1.00 0.00 H new ATOM 0 HA VAL A 41 5.149 -4.120 -7.038 1.00 0.00 H new ATOM 0 HB VAL A 41 7.922 -4.542 -5.869 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.924 -4.035 -3.672 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.876 -2.626 -4.758 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.402 -3.580 -4.474 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.797 -6.321 -4.588 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.270 -5.949 -5.422 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.655 -6.582 -6.343 1.00 0.00 H new ATOM 638 N ASP A 42 7.736 -2.145 -7.587 1.00 0.00 N ATOM 639 CA ASP A 42 8.132 -0.753 -7.763 1.00 0.00 C ATOM 640 C ASP A 42 7.272 -0.064 -8.816 1.00 0.00 C ATOM 641 O ASP A 42 6.876 1.090 -8.649 1.00 0.00 O ATOM 642 CB ASP A 42 9.611 -0.660 -8.150 1.00 0.00 C ATOM 643 CG ASP A 42 10.157 0.759 -8.211 1.00 0.00 C ATOM 644 OD1 ASP A 42 10.176 1.413 -7.195 1.00 0.00 O ATOM 645 OD2 ASP A 42 10.692 1.125 -9.230 1.00 0.00 O ATOM 0 H ASP A 42 8.461 -2.822 -7.824 1.00 0.00 H new ATOM 0 HA ASP A 42 7.982 -0.242 -6.812 1.00 0.00 H new ATOM 0 HB2 ASP A 42 10.199 -1.232 -7.432 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.750 -1.132 -9.123 1.00 0.00 H new ATOM 650 N GLU A 43 6.988 -0.778 -9.899 1.00 0.00 N ATOM 651 CA GLU A 43 6.177 -0.236 -10.983 1.00 0.00 C ATOM 652 C GLU A 43 4.753 0.042 -10.520 1.00 0.00 C ATOM 653 O GLU A 43 4.212 1.121 -10.758 1.00 0.00 O ATOM 654 CB GLU A 43 6.166 -1.196 -12.176 1.00 0.00 C ATOM 655 CG GLU A 43 7.482 -1.269 -12.937 1.00 0.00 C ATOM 656 CD GLU A 43 7.434 -2.319 -14.011 1.00 0.00 C ATOM 657 OE1 GLU A 43 6.448 -3.013 -14.094 1.00 0.00 O ATOM 658 OE2 GLU A 43 8.331 -2.355 -14.819 1.00 0.00 O ATOM 0 H GLU A 43 7.308 -1.735 -10.050 1.00 0.00 H new ATOM 0 HA GLU A 43 6.624 0.708 -11.294 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.910 -2.194 -11.821 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.378 -0.891 -12.865 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.701 -0.299 -13.383 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.293 -1.491 -12.244 1.00 0.00 H new ATOM 665 N ILE A 44 4.149 -0.940 -9.858 1.00 0.00 N ATOM 666 CA ILE A 44 2.779 -0.810 -9.379 1.00 0.00 C ATOM 667 C ILE A 44 2.689 0.191 -8.234 1.00 0.00 C ATOM 668 O ILE A 44 1.676 0.870 -8.069 1.00 0.00 O ATOM 669 CB ILE A 44 2.214 -2.163 -8.910 1.00 0.00 C ATOM 670 CG1 ILE A 44 2.125 -3.140 -10.086 1.00 0.00 C ATOM 671 CG2 ILE A 44 0.849 -1.976 -8.265 1.00 0.00 C ATOM 672 CD1 ILE A 44 1.272 -2.643 -11.230 1.00 0.00 C ATOM 0 H ILE A 44 4.588 -1.835 -9.641 1.00 0.00 H new ATOM 0 HA ILE A 44 2.185 -0.451 -10.219 1.00 0.00 H new ATOM 0 HB ILE A 44 2.890 -2.581 -8.165 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.130 -3.341 -10.456 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.721 -4.087 -9.729 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.465 -2.943 -7.940 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.941 -1.314 -7.404 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.162 -1.537 -8.988 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.258 -3.389 -12.024 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.255 -2.469 -10.877 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.687 -1.711 -11.615 1.00 0.00 H new ATOM 684 N PHE A 45 3.755 0.278 -7.445 1.00 0.00 N ATOM 685 CA PHE A 45 3.840 1.269 -6.378 1.00 0.00 C ATOM 686 C PHE A 45 3.767 2.684 -6.935 1.00 0.00 C ATOM 687 O PHE A 45 3.015 3.520 -6.435 1.00 0.00 O ATOM 688 CB PHE A 45 5.131 1.083 -5.578 1.00 0.00 C ATOM 689 CG PHE A 45 5.268 2.030 -4.421 1.00 0.00 C ATOM 690 CD1 PHE A 45 4.567 1.815 -3.243 1.00 0.00 C ATOM 691 CD2 PHE A 45 6.097 3.138 -4.507 1.00 0.00 C ATOM 692 CE1 PHE A 45 4.691 2.686 -2.178 1.00 0.00 C ATOM 693 CE2 PHE A 45 6.224 4.010 -3.443 1.00 0.00 C ATOM 694 CZ PHE A 45 5.520 3.782 -2.277 1.00 0.00 C ATOM 0 H PHE A 45 4.573 -0.326 -7.524 1.00 0.00 H new ATOM 0 HA PHE A 45 2.988 1.121 -5.714 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.172 0.060 -5.205 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.983 1.213 -6.245 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.917 0.957 -3.158 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.650 3.322 -5.416 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.138 2.508 -1.268 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.873 4.869 -3.523 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.619 4.462 -1.444 1.00 0.00 H new ATOM 704 N GLY A 46 4.553 2.947 -7.974 1.00 0.00 N ATOM 705 CA GLY A 46 4.544 4.248 -8.632 1.00 0.00 C ATOM 706 C GLY A 46 3.206 4.512 -9.312 1.00 0.00 C ATOM 707 O GLY A 46 2.743 5.651 -9.370 1.00 0.00 O ATOM 0 H GLY A 46 5.205 2.275 -8.379 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.743 5.030 -7.900 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.345 4.291 -9.370 1.00 0.00 H new ATOM 711 N ASP A 47 2.591 3.453 -9.827 1.00 0.00 N ATOM 712 CA ASP A 47 1.271 3.556 -10.437 1.00 0.00 C ATOM 713 C ASP A 47 0.206 3.874 -9.397 1.00 0.00 C ATOM 714 O ASP A 47 -0.755 4.590 -9.677 1.00 0.00 O ATOM 715 CB ASP A 47 0.917 2.260 -11.172 1.00 0.00 C ATOM 716 CG ASP A 47 1.677 2.048 -12.475 1.00 0.00 C ATOM 717 OD1 ASP A 47 2.290 2.980 -12.941 1.00 0.00 O ATOM 718 OD2 ASP A 47 1.769 0.926 -12.910 1.00 0.00 O ATOM 0 H ASP A 47 2.986 2.513 -9.834 1.00 0.00 H new ATOM 0 HA ASP A 47 1.300 4.375 -11.156 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.112 1.416 -10.510 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.152 2.258 -11.385 1.00 0.00 H new ATOM 723 N SER A 48 0.382 3.338 -8.194 1.00 0.00 N ATOM 724 CA SER A 48 -0.552 3.585 -7.101 1.00 0.00 C ATOM 725 C SER A 48 -0.340 4.966 -6.496 1.00 0.00 C ATOM 726 O SER A 48 -1.257 5.548 -5.917 1.00 0.00 O ATOM 727 CB SER A 48 -0.403 2.515 -6.036 1.00 0.00 C ATOM 728 OG SER A 48 -0.774 1.248 -6.508 1.00 0.00 O ATOM 0 H SER A 48 1.163 2.729 -7.951 1.00 0.00 H new ATOM 0 HA SER A 48 -1.564 3.548 -7.505 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.632 2.486 -5.694 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.017 2.774 -5.173 1.00 0.00 H new ATOM 0 HG SER A 48 -1.551 0.926 -6.005 1.00 0.00 H new ATOM 734 N ASP A 49 0.875 5.488 -6.636 1.00 0.00 N ATOM 735 CA ASP A 49 1.172 6.856 -6.230 1.00 0.00 C ATOM 736 C ASP A 49 0.555 7.863 -7.191 1.00 0.00 C ATOM 737 O ASP A 49 1.249 8.446 -8.024 1.00 0.00 O ATOM 738 CB ASP A 49 2.685 7.072 -6.141 1.00 0.00 C ATOM 739 CG ASP A 49 3.095 8.441 -5.613 1.00 0.00 C ATOM 740 OD1 ASP A 49 2.235 9.171 -5.182 1.00 0.00 O ATOM 741 OD2 ASP A 49 4.273 8.682 -5.500 1.00 0.00 O ATOM 0 H ASP A 49 1.670 4.983 -7.028 1.00 0.00 H new ATOM 0 HA ASP A 49 0.733 7.013 -5.245 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.112 6.304 -5.496 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.119 6.933 -7.131 1.00 0.00 H new ATOM 746 N THR A 50 -0.754 8.063 -7.070 1.00 0.00 N ATOM 747 CA THR A 50 -1.482 8.936 -7.983 1.00 0.00 C ATOM 748 C THR A 50 -1.006 10.379 -7.864 1.00 0.00 C ATOM 749 O THR A 50 -0.912 11.096 -8.860 1.00 0.00 O ATOM 750 CB THR A 50 -2.999 8.885 -7.724 1.00 0.00 C ATOM 751 OG1 THR A 50 -3.477 7.549 -7.932 1.00 0.00 O ATOM 752 CG2 THR A 50 -3.732 9.833 -8.660 1.00 0.00 C ATOM 0 H THR A 50 -1.332 7.632 -6.348 1.00 0.00 H new ATOM 0 HA THR A 50 -1.282 8.572 -8.991 1.00 0.00 H new ATOM 0 HB THR A 50 -3.187 9.190 -6.695 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.933 7.235 -7.123 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.803 9.784 -8.463 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.379 10.851 -8.496 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.540 9.545 -9.693 1.00 0.00 H new ATOM 760 N ASP A 51 -0.706 10.799 -6.640 1.00 0.00 N ATOM 761 CA ASP A 51 -0.309 12.177 -6.377 1.00 0.00 C ATOM 762 C ASP A 51 1.141 12.417 -6.777 1.00 0.00 C ATOM 763 O ASP A 51 1.609 13.555 -6.798 1.00 0.00 O ATOM 764 CB ASP A 51 -0.511 12.522 -4.901 1.00 0.00 C ATOM 765 CG ASP A 51 -1.968 12.669 -4.482 1.00 0.00 C ATOM 766 OD1 ASP A 51 -2.806 12.773 -5.347 1.00 0.00 O ATOM 767 OD2 ASP A 51 -2.249 12.519 -3.318 1.00 0.00 O ATOM 0 H ASP A 51 -0.730 10.203 -5.812 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.942 12.827 -6.981 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.047 11.746 -4.292 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.013 13.453 -4.683 1.00 0.00 H new ATOM 772 N LYS A 52 1.849 11.338 -7.095 1.00 0.00 N ATOM 773 CA LYS A 52 3.249 11.429 -7.491 1.00 0.00 C ATOM 774 C LYS A 52 4.078 12.136 -6.427 1.00 0.00 C ATOM 775 O LYS A 52 4.897 13.001 -6.739 1.00 0.00 O ATOM 776 CB LYS A 52 3.379 12.157 -8.831 1.00 0.00 C ATOM 777 CG LYS A 52 2.662 11.477 -9.989 1.00 0.00 C ATOM 778 CD LYS A 52 2.825 12.265 -11.281 1.00 0.00 C ATOM 779 CE LYS A 52 2.062 11.617 -12.425 1.00 0.00 C ATOM 780 NZ LYS A 52 2.144 12.421 -13.675 1.00 0.00 N ATOM 0 H LYS A 52 1.475 10.389 -7.086 1.00 0.00 H new ATOM 0 HA LYS A 52 3.632 10.414 -7.601 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.987 13.168 -8.721 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.436 12.250 -9.079 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.057 10.470 -10.123 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.603 11.375 -9.754 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.468 13.284 -11.135 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.882 12.331 -11.538 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.462 10.620 -12.608 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.017 11.494 -12.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.611 11.944 -14.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.740 13.364 -13.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.139 12.517 -13.962 1.00 0.00 H new ATOM 794 N ASN A 53 3.860 11.765 -5.171 1.00 0.00 N ATOM 795 CA ASN A 53 4.557 12.392 -4.055 1.00 0.00 C ATOM 796 C ASN A 53 5.832 11.636 -3.706 1.00 0.00 C ATOM 797 O ASN A 53 6.641 12.102 -2.904 1.00 0.00 O ATOM 798 CB ASN A 53 3.662 12.504 -2.834 1.00 0.00 C ATOM 799 CG ASN A 53 2.565 13.521 -2.978 1.00 0.00 C ATOM 800 OD1 ASN A 53 2.686 14.492 -3.734 1.00 0.00 O ATOM 801 ND2 ASN A 53 1.529 13.349 -2.198 1.00 0.00 N ATOM 0 H ASN A 53 3.205 11.032 -4.900 1.00 0.00 H new ATOM 0 HA ASN A 53 4.829 13.399 -4.371 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.217 11.530 -2.630 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.273 12.762 -1.969 1.00 0.00 H new ATOM 0 HD21 ASN A 53 0.773 14.034 -2.196 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.477 12.530 -1.592 1.00 0.00 H new ATOM 808 N GLY A 54 6.005 10.466 -4.312 1.00 0.00 N ATOM 809 CA GLY A 54 7.140 9.604 -4.006 1.00 0.00 C ATOM 810 C GLY A 54 6.709 8.397 -3.183 1.00 0.00 C ATOM 811 O GLY A 54 7.342 7.343 -3.231 1.00 0.00 O ATOM 0 H GLY A 54 5.372 10.093 -5.019 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.605 9.268 -4.933 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.893 10.171 -3.458 1.00 0.00 H new ATOM 815 N ARG A 55 5.627 8.559 -2.428 1.00 0.00 N ATOM 816 CA ARG A 55 5.080 7.467 -1.632 1.00 0.00 C ATOM 817 C ARG A 55 3.557 7.462 -1.676 1.00 0.00 C ATOM 818 O ARG A 55 2.939 8.383 -2.211 1.00 0.00 O ATOM 819 CB ARG A 55 5.595 7.486 -0.200 1.00 0.00 C ATOM 820 CG ARG A 55 7.098 7.298 -0.059 1.00 0.00 C ATOM 821 CD ARG A 55 7.581 5.940 -0.412 1.00 0.00 C ATOM 822 NE ARG A 55 8.971 5.686 -0.067 1.00 0.00 N ATOM 823 CZ ARG A 55 10.026 6.064 -0.814 1.00 0.00 C ATOM 824 NH1 ARG A 55 9.857 6.679 -1.963 1.00 0.00 N ATOM 825 NH2 ARG A 55 11.239 5.780 -0.371 1.00 0.00 N ATOM 0 H ARG A 55 5.112 9.436 -2.351 1.00 0.00 H new ATOM 0 HA ARG A 55 5.431 6.538 -2.081 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.317 8.435 0.258 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.091 6.701 0.363 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.604 8.027 -0.692 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.384 7.516 0.970 1.00 0.00 H new ATOM 0 HD2 ARG A 55 6.955 5.203 0.091 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.452 5.790 -1.484 1.00 0.00 H new ATOM 0 HE ARG A 55 9.160 5.186 0.802 1.00 0.00 H new ATOM 0 HH11 ARG A 55 8.916 6.877 -2.302 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.667 6.958 -2.516 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.356 5.287 0.514 1.00 0.00 H new ATOM 0 HH22 ARG A 55 12.058 6.053 -0.915 1.00 0.00 H new ATOM 839 N ILE A 56 2.957 6.422 -1.109 1.00 0.00 N ATOM 840 CA ILE A 56 1.506 6.277 -1.115 1.00 0.00 C ATOM 841 C ILE A 56 0.900 6.754 0.199 1.00 0.00 C ATOM 842 O ILE A 56 1.234 6.244 1.268 1.00 0.00 O ATOM 843 CB ILE A 56 1.084 4.818 -1.365 1.00 0.00 C ATOM 844 CG1 ILE A 56 1.566 4.351 -2.741 1.00 0.00 C ATOM 845 CG2 ILE A 56 -0.426 4.673 -1.249 1.00 0.00 C ATOM 846 CD1 ILE A 56 1.346 2.877 -2.997 1.00 0.00 C ATOM 0 H ILE A 56 3.454 5.665 -0.639 1.00 0.00 H new ATOM 0 HA ILE A 56 1.132 6.897 -1.930 1.00 0.00 H new ATOM 0 HB ILE A 56 1.548 4.188 -0.606 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.050 4.925 -3.511 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.629 4.572 -2.838 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.707 3.635 -1.429 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.744 4.967 -0.249 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.911 5.313 -1.986 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.713 2.622 -3.991 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.885 2.294 -2.251 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.281 2.652 -2.934 1.00 0.00 H new ATOM 858 N ASP A 57 0.008 7.734 0.112 1.00 0.00 N ATOM 859 CA ASP A 57 -0.629 8.299 1.296 1.00 0.00 C ATOM 860 C ASP A 57 -1.847 7.483 1.710 1.00 0.00 C ATOM 861 O ASP A 57 -2.131 6.436 1.128 1.00 0.00 O ATOM 862 CB ASP A 57 -1.031 9.755 1.047 1.00 0.00 C ATOM 863 CG ASP A 57 -2.131 9.934 0.010 1.00 0.00 C ATOM 864 OD1 ASP A 57 -2.737 8.956 -0.360 1.00 0.00 O ATOM 865 OD2 ASP A 57 -2.464 11.056 -0.287 1.00 0.00 O ATOM 0 H ASP A 57 -0.291 8.155 -0.768 1.00 0.00 H new ATOM 0 HA ASP A 57 0.095 8.267 2.110 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.361 10.194 1.988 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.151 10.312 0.726 1.00 0.00 H new ATOM 870 N PHE A 58 -2.563 7.969 2.719 1.00 0.00 N ATOM 871 CA PHE A 58 -3.691 7.235 3.280 1.00 0.00 C ATOM 872 C PHE A 58 -4.857 7.185 2.301 1.00 0.00 C ATOM 873 O PHE A 58 -5.553 6.175 2.202 1.00 0.00 O ATOM 874 CB PHE A 58 -4.137 7.868 4.598 1.00 0.00 C ATOM 875 CG PHE A 58 -5.128 7.039 5.365 1.00 0.00 C ATOM 876 CD1 PHE A 58 -5.206 5.669 5.167 1.00 0.00 C ATOM 877 CD2 PHE A 58 -5.984 7.627 6.284 1.00 0.00 C ATOM 878 CE1 PHE A 58 -6.118 4.904 5.871 1.00 0.00 C ATOM 879 CE2 PHE A 58 -6.895 6.867 6.989 1.00 0.00 C ATOM 880 CZ PHE A 58 -6.962 5.503 6.782 1.00 0.00 C ATOM 0 H PHE A 58 -2.382 8.868 3.165 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.363 6.213 3.471 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.260 8.039 5.223 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.577 8.844 4.391 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.547 5.194 4.455 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.937 8.693 6.450 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -6.169 3.838 5.707 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.555 7.338 7.702 1.00 0.00 H new ATOM 0 HZ PHE A 58 -7.674 4.907 7.333 1.00 0.00 H new ATOM 890 N ASP A 59 -5.065 8.282 1.580 1.00 0.00 N ATOM 891 CA ASP A 59 -6.188 8.389 0.657 1.00 0.00 C ATOM 892 C ASP A 59 -6.109 7.330 -0.435 1.00 0.00 C ATOM 893 O ASP A 59 -7.104 6.679 -0.755 1.00 0.00 O ATOM 894 CB ASP A 59 -6.236 9.785 0.031 1.00 0.00 C ATOM 895 CG ASP A 59 -6.706 10.882 0.977 1.00 0.00 C ATOM 896 OD1 ASP A 59 -7.215 10.560 2.024 1.00 0.00 O ATOM 897 OD2 ASP A 59 -6.412 12.026 0.720 1.00 0.00 O ATOM 0 H ASP A 59 -4.470 9.110 1.618 1.00 0.00 H new ATOM 0 HA ASP A 59 -7.102 8.223 1.227 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.242 10.040 -0.336 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.898 9.760 -0.834 1.00 0.00 H new ATOM 902 N GLU A 60 -4.920 7.160 -1.002 1.00 0.00 N ATOM 903 CA GLU A 60 -4.705 6.169 -2.050 1.00 0.00 C ATOM 904 C GLU A 60 -4.578 4.768 -1.468 1.00 0.00 C ATOM 905 O GLU A 60 -4.936 3.783 -2.111 1.00 0.00 O ATOM 906 CB GLU A 60 -3.458 6.516 -2.866 1.00 0.00 C ATOM 907 CG GLU A 60 -3.578 7.791 -3.689 1.00 0.00 C ATOM 908 CD GLU A 60 -4.721 7.708 -4.661 1.00 0.00 C ATOM 909 OE1 GLU A 60 -4.718 6.819 -5.478 1.00 0.00 O ATOM 910 OE2 GLU A 60 -5.653 8.464 -4.517 1.00 0.00 O ATOM 0 H GLU A 60 -4.089 7.696 -0.753 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.574 6.185 -2.707 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.611 6.615 -2.187 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.235 5.686 -3.536 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.724 8.643 -3.025 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.649 7.965 -4.231 1.00 0.00 H new ATOM 917 N PHE A 61 -4.063 4.686 -0.245 1.00 0.00 N ATOM 918 CA PHE A 61 -4.044 3.431 0.495 1.00 0.00 C ATOM 919 C PHE A 61 -5.440 2.828 0.595 1.00 0.00 C ATOM 920 O PHE A 61 -5.630 1.634 0.364 1.00 0.00 O ATOM 921 CB PHE A 61 -3.462 3.643 1.894 1.00 0.00 C ATOM 922 CG PHE A 61 -3.675 2.482 2.823 1.00 0.00 C ATOM 923 CD1 PHE A 61 -2.785 1.419 2.844 1.00 0.00 C ATOM 924 CD2 PHE A 61 -4.767 2.450 3.677 1.00 0.00 C ATOM 925 CE1 PHE A 61 -2.981 0.349 3.697 1.00 0.00 C ATOM 926 CE2 PHE A 61 -4.965 1.383 4.533 1.00 0.00 C ATOM 927 CZ PHE A 61 -4.070 0.332 4.542 1.00 0.00 C ATOM 0 H PHE A 61 -3.653 5.475 0.254 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.410 2.733 -0.051 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.393 3.835 1.807 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.911 4.534 2.333 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.929 1.427 2.186 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.471 3.269 3.673 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.281 -0.473 3.701 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.819 1.372 5.194 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.223 -0.503 5.210 1.00 0.00 H new ATOM 937 N LEU A 62 -6.415 3.662 0.942 1.00 0.00 N ATOM 938 CA LEU A 62 -7.796 3.213 1.073 1.00 0.00 C ATOM 939 C LEU A 62 -8.301 2.600 -0.227 1.00 0.00 C ATOM 940 O LEU A 62 -9.101 1.664 -0.213 1.00 0.00 O ATOM 941 CB LEU A 62 -8.695 4.382 1.497 1.00 0.00 C ATOM 942 CG LEU A 62 -8.466 4.898 2.923 1.00 0.00 C ATOM 943 CD1 LEU A 62 -9.209 6.211 3.129 1.00 0.00 C ATOM 944 CD2 LEU A 62 -8.934 3.851 3.923 1.00 0.00 C ATOM 0 H LEU A 62 -6.274 4.653 1.138 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.830 2.442 1.843 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.544 5.207 0.801 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.736 4.072 1.403 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.403 5.081 3.078 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.040 6.569 4.145 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.843 6.951 2.418 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.276 6.054 2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.771 4.218 4.937 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.996 3.655 3.774 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.371 2.930 3.776 1.00 0.00 H new ATOM 956 N LYS A 63 -7.830 3.133 -1.349 1.00 0.00 N ATOM 957 CA LYS A 63 -8.197 2.609 -2.659 1.00 0.00 C ATOM 958 C LYS A 63 -7.504 1.280 -2.934 1.00 0.00 C ATOM 959 O LYS A 63 -8.063 0.402 -3.590 1.00 0.00 O ATOM 960 CB LYS A 63 -7.852 3.618 -3.756 1.00 0.00 C ATOM 961 CG LYS A 63 -8.683 4.893 -3.719 1.00 0.00 C ATOM 962 CD LYS A 63 -8.233 5.878 -4.789 1.00 0.00 C ATOM 963 CE LYS A 63 -8.959 7.208 -4.657 1.00 0.00 C ATOM 964 NZ LYS A 63 -8.364 8.256 -5.532 1.00 0.00 N ATOM 0 H LYS A 63 -7.192 3.929 -1.377 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.274 2.439 -2.660 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.798 3.883 -3.671 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.984 3.141 -4.727 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.735 4.648 -3.866 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.598 5.357 -2.736 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.158 6.039 -4.709 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.420 5.456 -5.776 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.010 7.075 -4.914 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.924 7.539 -3.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.898 9.142 -5.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.373 8.414 -5.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.405 7.945 -6.523 1.00 0.00 H new ATOM 978 N MET A 64 -6.283 1.139 -2.429 1.00 0.00 N ATOM 979 CA MET A 64 -5.529 -0.100 -2.579 1.00 0.00 C ATOM 980 C MET A 64 -6.143 -1.220 -1.750 1.00 0.00 C ATOM 981 O MET A 64 -6.042 -2.395 -2.104 1.00 0.00 O ATOM 982 CB MET A 64 -4.072 0.117 -2.179 1.00 0.00 C ATOM 983 CG MET A 64 -3.291 1.028 -3.115 1.00 0.00 C ATOM 984 SD MET A 64 -3.236 0.403 -4.807 1.00 0.00 S ATOM 985 CE MET A 64 -4.522 1.385 -5.572 1.00 0.00 C ATOM 0 H MET A 64 -5.794 1.869 -1.911 1.00 0.00 H new ATOM 0 HA MET A 64 -5.568 -0.396 -3.627 1.00 0.00 H new ATOM 0 HB2 MET A 64 -4.043 0.538 -1.174 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.573 -0.851 -2.134 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.744 2.019 -3.113 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.274 1.141 -2.740 1.00 0.00 H new ATOM 0 HE1 MET A 64 -5.085 0.767 -6.271 1.00 0.00 H new ATOM 0 HE2 MET A 64 -5.194 1.767 -4.803 1.00 0.00 H new ATOM 0 HE3 MET A 64 -4.072 2.221 -6.108 1.00 0.00 H new ATOM 995 N MET A 65 -6.778 -0.852 -0.643 1.00 0.00 N ATOM 996 CA MET A 65 -7.353 -1.830 0.274 1.00 0.00 C ATOM 997 C MET A 65 -8.639 -2.421 -0.288 1.00 0.00 C ATOM 998 O MET A 65 -9.174 -3.391 0.249 1.00 0.00 O ATOM 999 CB MET A 65 -7.616 -1.186 1.634 1.00 0.00 C ATOM 1000 CG MET A 65 -6.361 -0.884 2.441 1.00 0.00 C ATOM 1001 SD MET A 65 -5.388 -2.362 2.792 1.00 0.00 S ATOM 1002 CE MET A 65 -6.480 -3.229 3.914 1.00 0.00 C ATOM 0 H MET A 65 -6.908 0.119 -0.358 1.00 0.00 H new ATOM 0 HA MET A 65 -6.636 -2.641 0.398 1.00 0.00 H new ATOM 0 HB2 MET A 65 -8.168 -0.258 1.482 1.00 0.00 H new ATOM 0 HB3 MET A 65 -8.258 -1.847 2.217 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.745 -0.170 1.894 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.643 -0.408 3.380 1.00 0.00 H new ATOM 0 HE1 MET A 65 -6.001 -4.149 4.249 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.693 -2.596 4.776 1.00 0.00 H new ATOM 0 HE3 MET A 65 -7.411 -3.470 3.402 1.00 0.00 H new ATOM 1012 N GLU A 66 -9.132 -1.831 -1.371 1.00 0.00 N ATOM 1013 CA GLU A 66 -10.371 -2.284 -1.994 1.00 0.00 C ATOM 1014 C GLU A 66 -10.248 -3.720 -2.483 1.00 0.00 C ATOM 1015 O GLU A 66 -11.235 -4.453 -2.539 1.00 0.00 O ATOM 1016 CB GLU A 66 -10.754 -1.364 -3.155 1.00 0.00 C ATOM 1017 CG GLU A 66 -11.217 0.024 -2.732 1.00 0.00 C ATOM 1018 CD GLU A 66 -11.472 0.902 -3.925 1.00 0.00 C ATOM 1019 OE1 GLU A 66 -11.229 0.463 -5.024 1.00 0.00 O ATOM 1020 OE2 GLU A 66 -12.013 1.968 -3.749 1.00 0.00 O ATOM 0 H GLU A 66 -8.692 -1.037 -1.837 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.157 -2.247 -1.239 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.896 -1.261 -3.819 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.548 -1.838 -3.732 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.127 -0.059 -2.138 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.461 0.483 -2.095 1.00 0.00 H new