USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 500 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 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ -161:sc= -0.0462 (180deg=-0.379) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.0122 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN :FLIP amide:sc= -0.025 F(o=-0.55,f=-0.025) USER MOD Single : A 8 SER OG : rot 108:sc= 1.19 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN :FLIP amide:sc= -0.571 F(o=-3.7!,f=-0.57) USER MOD Single : A 13 TYR OH : rot 131:sc= 0.367 USER MOD Single : A 14 SER OG : rot 180:sc= 0.891 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 34 MET CE :methyl -173:sc= -1.26 (180deg=-1.28) USER MOD Single : A 36 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0174) USER MOD Single : A 37 CYS SG : rot 180:sc=-0.00876 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 55:sc= 1.28 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0225 USER MOD Single : A 50 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.013) USER MOD Single : A 51 GLN :FLIP amide:sc= -1.3 F(o=-3!,f=-1.3) USER MOD Single : A 54 THR OG1 : rot 32:sc= 0.0135 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot -109:sc= 0.271 USER MOD Single : A 61 LYS NZ :NH3+ -167:sc= -0.0431 (180deg=-0.325) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -18.660 -3.619 -8.374 1.00 0.00 N ATOM 2 CA GLN A 1 -17.341 -4.280 -8.291 1.00 0.00 C ATOM 3 C GLN A 1 -16.292 -3.273 -7.836 1.00 0.00 C ATOM 4 O GLN A 1 -15.657 -2.602 -8.652 1.00 0.00 O ATOM 5 CB GLN A 1 -16.963 -4.875 -9.651 1.00 0.00 C ATOM 6 CG GLN A 1 -17.918 -5.958 -10.124 1.00 0.00 C ATOM 7 CD GLN A 1 -17.621 -6.414 -11.536 1.00 0.00 C ATOM 8 OE1 GLN A 1 -18.156 -5.866 -12.502 1.00 0.00 O ATOM 9 NE2 GLN A 1 -16.776 -7.423 -11.670 1.00 0.00 N ATOM 0 H1 GLN A 1 -19.410 -4.339 -8.364 1.00 0.00 H new ATOM 0 H2 GLN A 1 -18.781 -2.982 -7.561 1.00 0.00 H new ATOM 0 H3 GLN A 1 -18.718 -3.070 -9.255 1.00 0.00 H new ATOM 0 HA GLN A 1 -17.389 -5.091 -7.564 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -16.935 -4.077 -10.393 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -15.957 -5.290 -9.590 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -17.857 -6.812 -9.449 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -18.941 -5.584 -10.074 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -16.355 -7.849 -10.844 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -16.546 -7.775 -12.599 1.00 0.00 H new ATOM 20 N THR A 2 -16.116 -3.168 -6.529 1.00 0.00 N ATOM 21 CA THR A 2 -15.220 -2.181 -5.955 1.00 0.00 C ATOM 22 C THR A 2 -14.261 -2.848 -4.971 1.00 0.00 C ATOM 23 O THR A 2 -14.361 -4.051 -4.710 1.00 0.00 O ATOM 24 CB THR A 2 -16.019 -1.061 -5.246 1.00 0.00 C ATOM 25 OG1 THR A 2 -15.152 0.032 -4.903 1.00 0.00 O ATOM 26 CG2 THR A 2 -16.706 -1.581 -3.990 1.00 0.00 C ATOM 0 H THR A 2 -16.586 -3.759 -5.843 1.00 0.00 H new ATOM 0 HA THR A 2 -14.642 -1.732 -6.763 1.00 0.00 H new ATOM 0 HB THR A 2 -16.785 -0.713 -5.939 1.00 0.00 H new ATOM 0 HG1 THR A 2 -15.671 0.734 -4.457 1.00 0.00 H new ATOM 0 HG21 THR A 2 -17.259 -0.770 -3.515 1.00 0.00 H new ATOM 0 HG22 THR A 2 -17.395 -2.382 -4.257 1.00 0.00 H new ATOM 0 HG23 THR A 2 -15.956 -1.963 -3.297 1.00 0.00 H new ATOM 34 N SER A 3 -13.337 -2.067 -4.433 1.00 0.00 N ATOM 35 CA SER A 3 -12.334 -2.576 -3.512 1.00 0.00 C ATOM 36 C SER A 3 -12.920 -2.745 -2.109 1.00 0.00 C ATOM 37 O SER A 3 -12.613 -1.981 -1.199 1.00 0.00 O ATOM 38 CB SER A 3 -11.139 -1.620 -3.476 1.00 0.00 C ATOM 39 OG SER A 3 -10.725 -1.283 -4.793 1.00 0.00 O ATOM 0 H SER A 3 -13.262 -1.067 -4.622 1.00 0.00 H new ATOM 0 HA SER A 3 -12.003 -3.555 -3.860 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.407 -0.715 -2.931 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.313 -2.083 -2.937 1.00 0.00 H new ATOM 0 HG SER A 3 -9.962 -0.670 -4.749 1.00 0.00 H new ATOM 45 N GLN A 4 -13.783 -3.741 -1.951 1.00 0.00 N ATOM 46 CA GLN A 4 -14.393 -4.022 -0.656 1.00 0.00 C ATOM 47 C GLN A 4 -13.825 -5.294 -0.030 1.00 0.00 C ATOM 48 O GLN A 4 -12.759 -5.273 0.578 1.00 0.00 O ATOM 49 CB GLN A 4 -15.921 -4.128 -0.776 1.00 0.00 C ATOM 50 CG GLN A 4 -16.403 -4.721 -2.094 1.00 0.00 C ATOM 51 CD GLN A 4 -17.895 -4.999 -2.109 1.00 0.00 C ATOM 52 OE1 GLN A 4 -18.431 -5.450 -0.988 1.00 0.00 O flip ATOM 53 NE2 GLN A 4 -18.553 -4.848 -3.138 1.00 0.00 N flip ATOM 0 H GLN A 4 -14.076 -4.367 -2.701 1.00 0.00 H new ATOM 0 HA GLN A 4 -14.152 -3.185 -0.000 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -16.297 -4.740 0.044 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -16.354 -3.135 -0.657 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -16.159 -4.035 -2.905 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -15.864 -5.649 -2.287 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -18.104 -4.497 -3.984 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -19.548 -5.073 -3.145 1.00 0.00 H new ATOM 62 N ASP A 5 -14.525 -6.405 -0.215 1.00 0.00 N ATOM 63 CA ASP A 5 -14.148 -7.671 0.408 1.00 0.00 C ATOM 64 C ASP A 5 -13.163 -8.441 -0.458 1.00 0.00 C ATOM 65 O ASP A 5 -12.990 -9.649 -0.294 1.00 0.00 O ATOM 66 CB ASP A 5 -15.392 -8.526 0.659 1.00 0.00 C ATOM 67 CG ASP A 5 -16.422 -7.816 1.510 1.00 0.00 C ATOM 68 OD1 ASP A 5 -17.240 -7.056 0.949 1.00 0.00 O ATOM 69 OD2 ASP A 5 -16.428 -8.014 2.744 1.00 0.00 O ATOM 0 H ASP A 5 -15.363 -6.457 -0.795 1.00 0.00 H new ATOM 0 HA ASP A 5 -13.664 -7.445 1.358 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -15.840 -8.798 -0.296 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -15.098 -9.454 1.149 1.00 0.00 H new ATOM 74 N LEU A 6 -12.516 -7.738 -1.378 1.00 0.00 N ATOM 75 CA LEU A 6 -11.541 -8.350 -2.262 1.00 0.00 C ATOM 76 C LEU A 6 -10.340 -8.790 -1.431 1.00 0.00 C ATOM 77 O LEU A 6 -10.064 -9.985 -1.298 1.00 0.00 O ATOM 78 CB LEU A 6 -11.133 -7.342 -3.343 1.00 0.00 C ATOM 79 CG LEU A 6 -10.423 -7.901 -4.590 1.00 0.00 C ATOM 80 CD1 LEU A 6 -9.062 -8.495 -4.259 1.00 0.00 C ATOM 81 CD2 LEU A 6 -11.301 -8.932 -5.275 1.00 0.00 C ATOM 0 H LEU A 6 -12.652 -6.739 -1.530 1.00 0.00 H new ATOM 0 HA LEU A 6 -11.963 -9.224 -2.758 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -12.030 -6.816 -3.671 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -10.479 -6.601 -2.885 1.00 0.00 H new ATOM 0 HG LEU A 6 -10.252 -7.066 -5.270 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.600 -8.876 -5.170 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -8.425 -7.725 -3.824 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -9.184 -9.310 -3.546 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -10.788 -9.320 -6.155 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -11.507 -9.750 -4.585 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -12.240 -8.467 -5.577 1.00 0.00 H new ATOM 93 N PHE A 7 -9.656 -7.809 -0.858 1.00 0.00 N ATOM 94 CA PHE A 7 -8.551 -8.047 0.057 1.00 0.00 C ATOM 95 C PHE A 7 -8.119 -6.712 0.646 1.00 0.00 C ATOM 96 O PHE A 7 -7.808 -5.783 -0.091 1.00 0.00 O ATOM 97 CB PHE A 7 -7.372 -8.710 -0.661 1.00 0.00 C ATOM 98 CG PHE A 7 -6.718 -9.802 0.140 1.00 0.00 C ATOM 99 CD1 PHE A 7 -6.430 -9.628 1.485 1.00 0.00 C ATOM 100 CD2 PHE A 7 -6.402 -11.011 -0.458 1.00 0.00 C ATOM 101 CE1 PHE A 7 -5.837 -10.638 2.217 1.00 0.00 C ATOM 102 CE2 PHE A 7 -5.810 -12.024 0.269 1.00 0.00 C ATOM 103 CZ PHE A 7 -5.527 -11.838 1.607 1.00 0.00 C ATOM 0 H PHE A 7 -9.854 -6.821 -1.017 1.00 0.00 H new ATOM 0 HA PHE A 7 -8.878 -8.723 0.847 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -7.720 -9.123 -1.608 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -6.628 -7.950 -0.899 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -6.672 -8.692 1.966 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -6.621 -11.163 -1.505 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -5.616 -10.490 3.264 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.568 -12.962 -0.209 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.064 -12.630 2.177 1.00 0.00 H new ATOM 113 N SER A 8 -8.130 -6.600 1.959 1.00 0.00 N ATOM 114 CA SER A 8 -7.783 -5.342 2.596 1.00 0.00 C ATOM 115 C SER A 8 -6.594 -5.530 3.525 1.00 0.00 C ATOM 116 O SER A 8 -6.494 -6.540 4.230 1.00 0.00 O ATOM 117 CB SER A 8 -8.983 -4.787 3.367 1.00 0.00 C ATOM 118 OG SER A 8 -8.778 -3.440 3.742 1.00 0.00 O ATOM 0 H SER A 8 -8.372 -7.354 2.601 1.00 0.00 H new ATOM 0 HA SER A 8 -7.507 -4.625 1.823 1.00 0.00 H new ATOM 0 HB2 SER A 8 -9.879 -4.862 2.751 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.156 -5.392 4.257 1.00 0.00 H new ATOM 0 HG SER A 8 -9.349 -2.858 3.198 1.00 0.00 H new ATOM 124 N TYR A 9 -5.680 -4.571 3.504 1.00 0.00 N ATOM 125 CA TYR A 9 -4.548 -4.584 4.414 1.00 0.00 C ATOM 126 C TYR A 9 -4.510 -3.295 5.211 1.00 0.00 C ATOM 127 O TYR A 9 -5.026 -2.268 4.773 1.00 0.00 O ATOM 128 CB TYR A 9 -3.210 -4.724 3.679 1.00 0.00 C ATOM 129 CG TYR A 9 -3.085 -5.928 2.779 1.00 0.00 C ATOM 130 CD1 TYR A 9 -3.550 -7.175 3.161 1.00 0.00 C ATOM 131 CD2 TYR A 9 -2.492 -5.802 1.538 1.00 0.00 C ATOM 132 CE1 TYR A 9 -3.424 -8.266 2.325 1.00 0.00 C ATOM 133 CE2 TYR A 9 -2.361 -6.883 0.694 1.00 0.00 C ATOM 134 CZ TYR A 9 -2.828 -8.115 1.091 1.00 0.00 C ATOM 135 OH TYR A 9 -2.697 -9.200 0.252 1.00 0.00 O ATOM 0 H TYR A 9 -5.701 -3.775 2.866 1.00 0.00 H new ATOM 0 HA TYR A 9 -4.681 -5.447 5.066 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.049 -3.827 3.081 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.411 -4.761 4.420 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.018 -7.296 4.127 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -2.124 -4.837 1.223 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.790 -9.233 2.636 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -1.895 -6.764 -0.273 1.00 0.00 H new ATOM 0 HH TYR A 9 -2.256 -8.921 -0.578 1.00 0.00 H new ATOM 145 N GLN A 10 -3.892 -3.349 6.372 1.00 0.00 N ATOM 146 CA GLN A 10 -3.655 -2.154 7.154 1.00 0.00 C ATOM 147 C GLN A 10 -2.174 -1.835 7.110 1.00 0.00 C ATOM 148 O GLN A 10 -1.340 -2.727 7.241 1.00 0.00 O ATOM 149 CB GLN A 10 -4.111 -2.339 8.598 1.00 0.00 C ATOM 150 CG GLN A 10 -4.125 -1.036 9.377 1.00 0.00 C ATOM 151 CD GLN A 10 -4.460 -1.219 10.843 1.00 0.00 C ATOM 152 OE1 GLN A 10 -3.935 -0.340 11.679 1.00 0.00 O flip ATOM 153 NE2 GLN A 10 -5.187 -2.139 11.222 1.00 0.00 N flip ATOM 0 H GLN A 10 -3.544 -4.209 6.796 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.231 -1.330 6.732 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.110 -2.774 8.607 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.450 -3.049 9.096 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.149 -0.559 9.291 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.851 -0.359 8.927 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.572 -2.797 10.544 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.403 -2.243 12.213 1.00 0.00 H new ATOM 162 N ALA A 11 -1.848 -0.580 6.896 1.00 0.00 N ATOM 163 CA ALA A 11 -0.464 -0.165 6.794 1.00 0.00 C ATOM 164 C ALA A 11 0.228 -0.241 8.147 1.00 0.00 C ATOM 165 O ALA A 11 -0.228 0.346 9.131 1.00 0.00 O ATOM 166 CB ALA A 11 -0.394 1.239 6.242 1.00 0.00 C ATOM 0 H ALA A 11 -2.525 0.175 6.789 1.00 0.00 H new ATOM 0 HA ALA A 11 0.055 -0.842 6.116 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.648 1.549 6.166 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.853 1.265 5.254 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.927 1.918 6.907 1.00 0.00 H new ATOM 172 N LEU A 12 1.327 -0.983 8.172 1.00 0.00 N ATOM 173 CA LEU A 12 2.123 -1.173 9.375 1.00 0.00 C ATOM 174 C LEU A 12 2.745 0.134 9.820 1.00 0.00 C ATOM 175 O LEU A 12 2.846 0.405 11.014 1.00 0.00 O ATOM 176 CB LEU A 12 3.228 -2.202 9.115 1.00 0.00 C ATOM 177 CG LEU A 12 2.777 -3.658 9.093 1.00 0.00 C ATOM 178 CD1 LEU A 12 3.469 -4.406 7.971 1.00 0.00 C ATOM 179 CD2 LEU A 12 3.069 -4.318 10.431 1.00 0.00 C ATOM 0 H LEU A 12 1.692 -1.472 7.355 1.00 0.00 H new ATOM 0 HA LEU A 12 1.465 -1.535 10.165 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.698 -1.971 8.159 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.994 -2.089 9.882 1.00 0.00 H new ATOM 0 HG LEU A 12 1.702 -3.689 8.917 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.137 -5.444 7.967 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.220 -3.942 7.017 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.548 -4.370 8.121 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.742 -5.358 10.403 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.140 -4.279 10.630 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.534 -3.791 11.221 1.00 0.00 H new ATOM 191 N TYR A 13 3.174 0.925 8.849 1.00 0.00 N ATOM 192 CA TYR A 13 3.777 2.219 9.119 1.00 0.00 C ATOM 193 C TYR A 13 3.709 3.112 7.888 1.00 0.00 C ATOM 194 O TYR A 13 3.402 2.644 6.788 1.00 0.00 O ATOM 195 CB TYR A 13 5.224 2.067 9.620 1.00 0.00 C ATOM 196 CG TYR A 13 6.097 1.113 8.831 1.00 0.00 C ATOM 197 CD1 TYR A 13 5.993 -0.259 9.017 1.00 0.00 C ATOM 198 CD2 TYR A 13 7.048 1.581 7.931 1.00 0.00 C ATOM 199 CE1 TYR A 13 6.801 -1.138 8.330 1.00 0.00 C ATOM 200 CE2 TYR A 13 7.859 0.703 7.237 1.00 0.00 C ATOM 201 CZ TYR A 13 7.730 -0.655 7.443 1.00 0.00 C ATOM 202 OH TYR A 13 8.536 -1.535 6.759 1.00 0.00 O ATOM 0 H TYR A 13 3.114 0.690 7.858 1.00 0.00 H new ATOM 0 HA TYR A 13 3.206 2.698 9.914 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.695 3.050 9.615 1.00 0.00 H new ATOM 0 HB3 TYR A 13 5.196 1.732 10.657 1.00 0.00 H new ATOM 0 HD1 TYR A 13 5.264 -0.645 9.714 1.00 0.00 H new ATOM 0 HD2 TYR A 13 7.154 2.644 7.772 1.00 0.00 H new ATOM 0 HE1 TYR A 13 6.704 -2.202 8.489 1.00 0.00 H new ATOM 0 HE2 TYR A 13 8.590 1.078 6.537 1.00 0.00 H new ATOM 0 HH TYR A 13 8.520 -1.318 5.803 1.00 0.00 H new ATOM 212 N SER A 14 3.981 4.392 8.087 1.00 0.00 N ATOM 213 CA SER A 14 3.847 5.385 7.031 1.00 0.00 C ATOM 214 C SER A 14 4.943 5.226 5.978 1.00 0.00 C ATOM 215 O SER A 14 6.070 4.848 6.299 1.00 0.00 O ATOM 216 CB SER A 14 3.896 6.792 7.631 1.00 0.00 C ATOM 217 OG SER A 14 2.886 6.952 8.617 1.00 0.00 O ATOM 0 H SER A 14 4.299 4.771 8.979 1.00 0.00 H new ATOM 0 HA SER A 14 2.885 5.233 6.541 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.876 6.970 8.074 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.763 7.534 6.843 1.00 0.00 H new ATOM 0 HG SER A 14 2.934 7.857 8.991 1.00 0.00 H new ATOM 223 N TYR A 15 4.607 5.511 4.726 1.00 0.00 N ATOM 224 CA TYR A 15 5.570 5.420 3.635 1.00 0.00 C ATOM 225 C TYR A 15 5.271 6.446 2.554 1.00 0.00 C ATOM 226 O TYR A 15 4.117 6.649 2.169 1.00 0.00 O ATOM 227 CB TYR A 15 5.570 4.017 3.021 1.00 0.00 C ATOM 228 CG TYR A 15 6.585 3.831 1.916 1.00 0.00 C ATOM 229 CD1 TYR A 15 7.935 3.678 2.198 1.00 0.00 C ATOM 230 CD2 TYR A 15 6.187 3.817 0.586 1.00 0.00 C ATOM 231 CE1 TYR A 15 8.861 3.516 1.185 1.00 0.00 C ATOM 232 CE2 TYR A 15 7.105 3.655 -0.431 1.00 0.00 C ATOM 233 CZ TYR A 15 8.440 3.507 -0.128 1.00 0.00 C ATOM 234 OH TYR A 15 9.356 3.346 -1.139 1.00 0.00 O ATOM 0 H TYR A 15 3.674 5.807 4.440 1.00 0.00 H new ATOM 0 HA TYR A 15 6.555 5.625 4.053 1.00 0.00 H new ATOM 0 HB2 TYR A 15 5.765 3.287 3.807 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.576 3.803 2.628 1.00 0.00 H new ATOM 0 HD1 TYR A 15 8.267 3.686 3.226 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.141 3.935 0.343 1.00 0.00 H new ATOM 0 HE1 TYR A 15 9.908 3.397 1.420 1.00 0.00 H new ATOM 0 HE2 TYR A 15 6.778 3.644 -1.460 1.00 0.00 H new ATOM 0 HH TYR A 15 8.895 3.362 -2.004 1.00 0.00 H new ATOM 244 N ILE A 16 6.324 7.073 2.064 1.00 0.00 N ATOM 245 CA ILE A 16 6.213 8.042 0.990 1.00 0.00 C ATOM 246 C ILE A 16 6.655 7.412 -0.327 1.00 0.00 C ATOM 247 O ILE A 16 7.790 6.948 -0.449 1.00 0.00 O ATOM 248 CB ILE A 16 7.071 9.288 1.285 1.00 0.00 C ATOM 249 CG1 ILE A 16 6.591 9.975 2.567 1.00 0.00 C ATOM 250 CG2 ILE A 16 7.043 10.261 0.111 1.00 0.00 C ATOM 251 CD1 ILE A 16 5.136 10.396 2.530 1.00 0.00 C ATOM 0 H ILE A 16 7.277 6.926 2.398 1.00 0.00 H new ATOM 0 HA ILE A 16 5.170 8.350 0.913 1.00 0.00 H new ATOM 0 HB ILE A 16 8.102 8.965 1.429 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.742 9.299 3.408 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.209 10.854 2.750 1.00 0.00 H new ATOM 0 HG21 ILE A 16 7.656 11.131 0.345 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.436 9.769 -0.779 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.017 10.579 -0.073 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.872 10.875 3.473 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.981 11.098 1.711 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.507 9.519 2.380 1.00 0.00 H new ATOM 263 N PRO A 17 5.750 7.365 -1.316 1.00 0.00 N ATOM 264 CA PRO A 17 6.025 6.767 -2.626 1.00 0.00 C ATOM 265 C PRO A 17 7.162 7.458 -3.359 1.00 0.00 C ATOM 266 O PRO A 17 7.290 8.688 -3.333 1.00 0.00 O ATOM 267 CB PRO A 17 4.716 6.951 -3.398 1.00 0.00 C ATOM 268 CG PRO A 17 3.681 7.184 -2.359 1.00 0.00 C ATOM 269 CD PRO A 17 4.381 7.889 -1.236 1.00 0.00 C ATOM 0 HA PRO A 17 6.336 5.727 -2.527 1.00 0.00 H new ATOM 0 HB2 PRO A 17 4.780 7.794 -4.086 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.483 6.069 -3.995 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.863 7.789 -2.751 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.248 6.243 -2.020 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.356 8.971 -1.362 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.921 7.669 -0.273 1.00 0.00 H new ATOM 277 N GLN A 18 7.976 6.660 -4.026 1.00 0.00 N ATOM 278 CA GLN A 18 9.124 7.172 -4.747 1.00 0.00 C ATOM 279 C GLN A 18 8.774 7.360 -6.210 1.00 0.00 C ATOM 280 O GLN A 18 9.489 8.025 -6.957 1.00 0.00 O ATOM 281 CB GLN A 18 10.324 6.243 -4.570 1.00 0.00 C ATOM 282 CG GLN A 18 10.755 6.124 -3.118 1.00 0.00 C ATOM 283 CD GLN A 18 11.985 5.263 -2.931 1.00 0.00 C ATOM 284 OE1 GLN A 18 12.220 4.310 -3.676 1.00 0.00 O ATOM 285 NE2 GLN A 18 12.793 5.613 -1.947 1.00 0.00 N ATOM 0 H GLN A 18 7.861 5.648 -4.082 1.00 0.00 H new ATOM 0 HA GLN A 18 9.400 8.144 -4.339 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.074 5.254 -4.954 1.00 0.00 H new ATOM 0 HB3 GLN A 18 11.159 6.615 -5.165 1.00 0.00 H new ATOM 0 HG2 GLN A 18 10.953 7.120 -2.721 1.00 0.00 H new ATOM 0 HG3 GLN A 18 9.934 5.706 -2.535 1.00 0.00 H new ATOM 0 HE21 GLN A 18 12.559 6.409 -1.354 1.00 0.00 H new ATOM 0 HE22 GLN A 18 13.651 5.087 -1.780 1.00 0.00 H new ATOM 294 N ASN A 19 7.653 6.787 -6.602 1.00 0.00 N ATOM 295 CA ASN A 19 7.093 7.020 -7.917 1.00 0.00 C ATOM 296 C ASN A 19 5.786 7.778 -7.789 1.00 0.00 C ATOM 297 O ASN A 19 4.983 7.499 -6.896 1.00 0.00 O ATOM 298 CB ASN A 19 6.847 5.702 -8.643 1.00 0.00 C ATOM 299 CG ASN A 19 8.083 5.161 -9.330 1.00 0.00 C ATOM 300 OD1 ASN A 19 9.211 5.400 -8.901 1.00 0.00 O ATOM 301 ND2 ASN A 19 7.879 4.422 -10.408 1.00 0.00 N ATOM 0 H ASN A 19 7.108 6.150 -6.021 1.00 0.00 H new ATOM 0 HA ASN A 19 7.806 7.608 -8.495 1.00 0.00 H new ATOM 0 HB2 ASN A 19 6.483 4.963 -7.929 1.00 0.00 H new ATOM 0 HB3 ASN A 19 6.060 5.844 -9.384 1.00 0.00 H new ATOM 0 HD21 ASN A 19 8.672 4.028 -10.914 1.00 0.00 H new ATOM 0 HD22 ASN A 19 6.928 4.246 -10.733 1.00 0.00 H new ATOM 308 N ASP A 20 5.569 8.728 -8.680 1.00 0.00 N ATOM 309 CA ASP A 20 4.329 9.489 -8.688 1.00 0.00 C ATOM 310 C ASP A 20 3.284 8.677 -9.424 1.00 0.00 C ATOM 311 O ASP A 20 2.942 8.945 -10.577 1.00 0.00 O ATOM 312 CB ASP A 20 4.520 10.857 -9.340 1.00 0.00 C ATOM 313 CG ASP A 20 3.323 11.763 -9.134 1.00 0.00 C ATOM 314 OD1 ASP A 20 3.174 12.312 -8.019 1.00 0.00 O ATOM 315 OD2 ASP A 20 2.529 11.939 -10.083 1.00 0.00 O ATOM 0 H ASP A 20 6.233 8.992 -9.408 1.00 0.00 H new ATOM 0 HA ASP A 20 4.005 9.674 -7.664 1.00 0.00 H new ATOM 0 HB2 ASP A 20 5.409 11.333 -8.927 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.695 10.727 -10.408 1.00 0.00 H new ATOM 320 N ASP A 21 2.795 7.676 -8.719 1.00 0.00 N ATOM 321 CA ASP A 21 2.012 6.595 -9.300 1.00 0.00 C ATOM 322 C ASP A 21 1.656 5.596 -8.210 1.00 0.00 C ATOM 323 O ASP A 21 0.683 4.846 -8.318 1.00 0.00 O ATOM 324 CB ASP A 21 2.821 5.897 -10.399 1.00 0.00 C ATOM 325 CG ASP A 21 2.107 4.706 -11.000 1.00 0.00 C ATOM 326 OD1 ASP A 21 1.101 4.903 -11.705 1.00 0.00 O ATOM 327 OD2 ASP A 21 2.566 3.564 -10.789 1.00 0.00 O ATOM 0 H ASP A 21 2.930 7.586 -7.712 1.00 0.00 H new ATOM 0 HA ASP A 21 1.100 7.001 -9.738 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.044 6.615 -11.188 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.775 5.570 -9.986 1.00 0.00 H new ATOM 332 N GLU A 22 2.439 5.619 -7.137 1.00 0.00 N ATOM 333 CA GLU A 22 2.226 4.725 -6.013 1.00 0.00 C ATOM 334 C GLU A 22 1.300 5.359 -4.978 1.00 0.00 C ATOM 335 O GLU A 22 0.973 6.544 -5.056 1.00 0.00 O ATOM 336 CB GLU A 22 3.569 4.378 -5.368 1.00 0.00 C ATOM 337 CG GLU A 22 4.465 3.541 -6.259 1.00 0.00 C ATOM 338 CD GLU A 22 5.927 3.599 -5.851 1.00 0.00 C ATOM 339 OE1 GLU A 22 6.370 4.649 -5.337 1.00 0.00 O ATOM 340 OE2 GLU A 22 6.640 2.591 -6.050 1.00 0.00 O ATOM 0 H GLU A 22 3.231 6.252 -7.025 1.00 0.00 H new ATOM 0 HA GLU A 22 1.753 3.815 -6.381 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.088 5.300 -5.107 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.389 3.840 -4.438 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.127 2.505 -6.234 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.367 3.884 -7.289 1.00 0.00 H new ATOM 347 N LEU A 23 0.887 4.553 -4.012 1.00 0.00 N ATOM 348 CA LEU A 23 -0.083 4.972 -3.014 1.00 0.00 C ATOM 349 C LEU A 23 0.645 5.417 -1.751 1.00 0.00 C ATOM 350 O LEU A 23 1.583 4.758 -1.298 1.00 0.00 O ATOM 351 CB LEU A 23 -1.040 3.797 -2.708 1.00 0.00 C ATOM 352 CG LEU A 23 -2.383 4.160 -2.050 1.00 0.00 C ATOM 353 CD1 LEU A 23 -2.214 4.501 -0.584 1.00 0.00 C ATOM 354 CD2 LEU A 23 -3.030 5.305 -2.798 1.00 0.00 C ATOM 0 H LEU A 23 1.214 3.593 -3.898 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.667 5.812 -3.391 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.248 3.274 -3.641 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.520 3.094 -2.057 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.034 3.287 -2.104 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.184 4.752 -0.155 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.795 3.644 -0.057 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.542 5.353 -0.484 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.980 5.557 -2.327 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.372 6.173 -2.774 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.205 5.011 -3.833 1.00 0.00 H new ATOM 366 N GLU A 24 0.205 6.534 -1.188 1.00 0.00 N ATOM 367 CA GLU A 24 0.805 7.063 0.029 1.00 0.00 C ATOM 368 C GLU A 24 0.349 6.281 1.239 1.00 0.00 C ATOM 369 O GLU A 24 -0.844 6.201 1.526 1.00 0.00 O ATOM 370 CB GLU A 24 0.455 8.533 0.216 1.00 0.00 C ATOM 371 CG GLU A 24 1.467 9.462 -0.409 1.00 0.00 C ATOM 372 CD GLU A 24 1.090 10.920 -0.255 1.00 0.00 C ATOM 373 OE1 GLU A 24 1.465 11.537 0.763 1.00 0.00 O ATOM 374 OE2 GLU A 24 0.409 11.458 -1.152 1.00 0.00 O ATOM 0 H GLU A 24 -0.566 7.092 -1.555 1.00 0.00 H new ATOM 0 HA GLU A 24 1.886 6.966 -0.072 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.525 8.726 -0.219 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.379 8.750 1.281 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.442 9.292 0.048 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.566 9.226 -1.468 1.00 0.00 H new ATOM 381 N LEU A 25 1.302 5.726 1.955 1.00 0.00 N ATOM 382 CA LEU A 25 0.981 4.857 3.067 1.00 0.00 C ATOM 383 C LEU A 25 1.135 5.597 4.382 1.00 0.00 C ATOM 384 O LEU A 25 2.034 6.420 4.549 1.00 0.00 O ATOM 385 CB LEU A 25 1.859 3.611 3.040 1.00 0.00 C ATOM 386 CG LEU A 25 1.740 2.774 1.764 1.00 0.00 C ATOM 387 CD1 LEU A 25 2.805 1.697 1.730 1.00 0.00 C ATOM 388 CD2 LEU A 25 0.352 2.156 1.656 1.00 0.00 C ATOM 0 H LEU A 25 2.300 5.859 1.789 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.059 4.544 2.973 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.899 3.913 3.165 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.604 2.984 3.895 1.00 0.00 H new ATOM 0 HG LEU A 25 1.891 3.432 0.909 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.703 1.113 0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.791 2.160 1.757 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.688 1.042 2.593 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.287 1.565 0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.172 1.513 2.518 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.397 2.947 1.630 1.00 0.00 H new ATOM 400 N ARG A 26 0.249 5.296 5.301 1.00 0.00 N ATOM 401 CA ARG A 26 0.215 5.950 6.592 1.00 0.00 C ATOM 402 C ARG A 26 0.087 4.898 7.676 1.00 0.00 C ATOM 403 O ARG A 26 -0.597 3.899 7.496 1.00 0.00 O ATOM 404 CB ARG A 26 -0.972 6.918 6.627 1.00 0.00 C ATOM 405 CG ARG A 26 -1.717 6.980 7.952 1.00 0.00 C ATOM 406 CD ARG A 26 -3.118 7.532 7.753 1.00 0.00 C ATOM 407 NE ARG A 26 -3.956 7.363 8.940 1.00 0.00 N ATOM 408 CZ ARG A 26 -5.212 6.910 8.913 1.00 0.00 C ATOM 409 NH1 ARG A 26 -5.772 6.528 7.772 1.00 0.00 N ATOM 410 NH2 ARG A 26 -5.909 6.812 10.036 1.00 0.00 N ATOM 0 H ARG A 26 -0.474 4.587 5.176 1.00 0.00 H new ATOM 0 HA ARG A 26 1.132 6.514 6.761 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.613 7.918 6.383 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.676 6.633 5.845 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -1.772 5.984 8.391 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.169 7.608 8.654 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.056 8.591 7.502 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.587 7.031 6.906 1.00 0.00 H new ATOM 0 HE ARG A 26 -3.556 7.607 9.846 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.242 6.578 6.902 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -6.732 6.184 7.765 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.486 7.083 10.924 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.868 6.466 10.012 1.00 0.00 H new ATOM 424 N ASP A 27 0.772 5.124 8.777 1.00 0.00 N ATOM 425 CA ASP A 27 0.709 4.223 9.926 1.00 0.00 C ATOM 426 C ASP A 27 -0.741 4.032 10.360 1.00 0.00 C ATOM 427 O ASP A 27 -1.335 4.917 10.977 1.00 0.00 O ATOM 428 CB ASP A 27 1.533 4.786 11.093 1.00 0.00 C ATOM 429 CG ASP A 27 1.714 3.795 12.233 1.00 0.00 C ATOM 430 OD1 ASP A 27 0.708 3.370 12.841 1.00 0.00 O ATOM 431 OD2 ASP A 27 2.876 3.454 12.546 1.00 0.00 O ATOM 0 H ASP A 27 1.386 5.928 8.908 1.00 0.00 H new ATOM 0 HA ASP A 27 1.126 3.259 9.636 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.513 5.089 10.724 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.045 5.683 11.474 1.00 0.00 H new ATOM 436 N GLY A 28 -1.314 2.889 10.007 1.00 0.00 N ATOM 437 CA GLY A 28 -2.682 2.601 10.384 1.00 0.00 C ATOM 438 C GLY A 28 -3.676 2.830 9.260 1.00 0.00 C ATOM 439 O GLY A 28 -4.865 2.551 9.415 1.00 0.00 O ATOM 0 H GLY A 28 -0.855 2.156 9.466 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.750 1.564 10.714 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.956 3.225 11.235 1.00 0.00 H new ATOM 443 N ASP A 29 -3.202 3.344 8.135 1.00 0.00 N ATOM 444 CA ASP A 29 -4.065 3.565 6.977 1.00 0.00 C ATOM 445 C ASP A 29 -4.421 2.227 6.356 1.00 0.00 C ATOM 446 O ASP A 29 -3.552 1.383 6.152 1.00 0.00 O ATOM 447 CB ASP A 29 -3.369 4.450 5.935 1.00 0.00 C ATOM 448 CG ASP A 29 -4.342 5.124 4.981 1.00 0.00 C ATOM 449 OD1 ASP A 29 -4.859 6.205 5.337 1.00 0.00 O ATOM 450 OD2 ASP A 29 -4.585 4.591 3.878 1.00 0.00 O ATOM 0 H ASP A 29 -2.229 3.616 7.996 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.970 4.075 7.308 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.784 5.214 6.448 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.668 3.843 5.361 1.00 0.00 H new ATOM 455 N ILE A 30 -5.692 2.011 6.088 1.00 0.00 N ATOM 456 CA ILE A 30 -6.112 0.786 5.436 1.00 0.00 C ATOM 457 C ILE A 30 -6.082 0.964 3.930 1.00 0.00 C ATOM 458 O ILE A 30 -6.498 1.992 3.410 1.00 0.00 O ATOM 459 CB ILE A 30 -7.525 0.342 5.889 1.00 0.00 C ATOM 460 CG1 ILE A 30 -7.452 -0.416 7.213 1.00 0.00 C ATOM 461 CG2 ILE A 30 -8.234 -0.494 4.830 1.00 0.00 C ATOM 462 CD1 ILE A 30 -7.377 0.476 8.426 1.00 0.00 C ATOM 0 H ILE A 30 -6.447 2.660 6.309 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.413 0.002 5.727 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.116 1.247 6.033 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.328 -1.059 7.301 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.578 -1.068 7.199 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.221 -0.781 5.194 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -8.340 0.090 3.916 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -7.649 -1.390 4.622 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.328 -0.137 9.326 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.486 1.101 8.364 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -8.263 1.110 8.467 1.00 0.00 H new ATOM 474 N VAL A 31 -5.564 -0.030 3.245 1.00 0.00 N ATOM 475 CA VAL A 31 -5.525 -0.015 1.798 1.00 0.00 C ATOM 476 C VAL A 31 -6.106 -1.306 1.253 1.00 0.00 C ATOM 477 O VAL A 31 -5.610 -2.401 1.543 1.00 0.00 O ATOM 478 CB VAL A 31 -4.092 0.191 1.254 1.00 0.00 C ATOM 479 CG1 VAL A 31 -4.037 -0.087 -0.241 1.00 0.00 C ATOM 480 CG2 VAL A 31 -3.622 1.606 1.534 1.00 0.00 C ATOM 0 H VAL A 31 -5.161 -0.865 3.669 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.125 0.831 1.463 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.431 -0.511 1.762 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.020 0.064 -0.602 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.340 -1.117 -0.431 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.712 0.592 -0.762 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.612 1.737 1.146 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.292 2.315 1.048 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.623 1.784 2.609 1.00 0.00 H new ATOM 490 N ASP A 32 -7.162 -1.171 0.476 1.00 0.00 N ATOM 491 CA ASP A 32 -7.813 -2.316 -0.121 1.00 0.00 C ATOM 492 C ASP A 32 -7.134 -2.644 -1.435 1.00 0.00 C ATOM 493 O ASP A 32 -7.162 -1.847 -2.371 1.00 0.00 O ATOM 494 CB ASP A 32 -9.291 -2.023 -0.372 1.00 0.00 C ATOM 495 CG ASP A 32 -9.978 -1.391 0.827 1.00 0.00 C ATOM 496 OD1 ASP A 32 -10.202 -2.098 1.835 1.00 0.00 O ATOM 497 OD2 ASP A 32 -10.286 -0.181 0.768 1.00 0.00 O ATOM 0 H ASP A 32 -7.588 -0.274 0.243 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.737 -3.162 0.562 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.384 -1.358 -1.231 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.802 -2.951 -0.630 1.00 0.00 H new ATOM 502 N VAL A 33 -6.524 -3.810 -1.505 1.00 0.00 N ATOM 503 CA VAL A 33 -5.813 -4.223 -2.698 1.00 0.00 C ATOM 504 C VAL A 33 -6.748 -4.952 -3.661 1.00 0.00 C ATOM 505 O VAL A 33 -7.407 -5.925 -3.293 1.00 0.00 O ATOM 506 CB VAL A 33 -4.590 -5.106 -2.348 1.00 0.00 C ATOM 507 CG1 VAL A 33 -4.953 -6.187 -1.348 1.00 0.00 C ATOM 508 CG2 VAL A 33 -3.999 -5.720 -3.601 1.00 0.00 C ATOM 0 H VAL A 33 -6.507 -4.491 -0.746 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.444 -3.324 -3.192 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.840 -4.463 -1.886 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.071 -6.788 -1.125 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.319 -5.726 -0.431 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.730 -6.825 -1.768 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.141 -6.337 -3.334 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.751 -6.337 -4.093 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.680 -4.928 -4.279 1.00 0.00 H new ATOM 518 N MET A 34 -6.810 -4.463 -4.893 1.00 0.00 N ATOM 519 CA MET A 34 -7.664 -5.064 -5.903 1.00 0.00 C ATOM 520 C MET A 34 -6.847 -6.010 -6.773 1.00 0.00 C ATOM 521 O MET A 34 -7.343 -7.052 -7.207 1.00 0.00 O ATOM 522 CB MET A 34 -8.363 -3.986 -6.747 1.00 0.00 C ATOM 523 CG MET A 34 -7.522 -3.372 -7.857 1.00 0.00 C ATOM 524 SD MET A 34 -7.662 -4.278 -9.413 1.00 0.00 S ATOM 525 CE MET A 34 -6.441 -3.434 -10.412 1.00 0.00 C ATOM 0 H MET A 34 -6.279 -3.653 -5.214 1.00 0.00 H new ATOM 0 HA MET A 34 -8.445 -5.640 -5.407 1.00 0.00 H new ATOM 0 HB2 MET A 34 -9.257 -4.422 -7.192 1.00 0.00 H new ATOM 0 HB3 MET A 34 -8.694 -3.188 -6.083 1.00 0.00 H new ATOM 0 HG2 MET A 34 -7.831 -2.338 -8.013 1.00 0.00 H new ATOM 0 HG3 MET A 34 -6.477 -3.349 -7.547 1.00 0.00 H new ATOM 0 HE1 MET A 34 -6.497 -3.797 -11.438 1.00 0.00 H new ATOM 0 HE2 MET A 34 -6.635 -2.362 -10.395 1.00 0.00 H new ATOM 0 HE3 MET A 34 -5.446 -3.629 -10.012 1.00 0.00 H new ATOM 535 N GLU A 35 -5.582 -5.662 -7.008 1.00 0.00 N ATOM 536 CA GLU A 35 -4.699 -6.512 -7.787 1.00 0.00 C ATOM 537 C GLU A 35 -3.442 -6.838 -7.004 1.00 0.00 C ATOM 538 O GLU A 35 -2.786 -5.951 -6.454 1.00 0.00 O ATOM 539 CB GLU A 35 -4.345 -5.853 -9.116 1.00 0.00 C ATOM 540 CG GLU A 35 -3.337 -6.636 -9.939 1.00 0.00 C ATOM 541 CD GLU A 35 -3.510 -6.409 -11.425 1.00 0.00 C ATOM 542 OE1 GLU A 35 -4.503 -6.911 -11.992 1.00 0.00 O ATOM 543 OE2 GLU A 35 -2.660 -5.735 -12.034 1.00 0.00 O ATOM 0 H GLU A 35 -5.153 -4.801 -6.670 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.225 -7.443 -7.997 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.256 -5.724 -9.701 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.947 -4.857 -8.922 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.328 -6.347 -9.645 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.441 -7.699 -9.721 1.00 0.00 H new ATOM 550 N LYS A 36 -3.118 -8.114 -6.956 1.00 0.00 N ATOM 551 CA LYS A 36 -1.960 -8.575 -6.213 1.00 0.00 C ATOM 552 C LYS A 36 -0.883 -9.080 -7.159 1.00 0.00 C ATOM 553 O LYS A 36 -1.030 -10.138 -7.774 1.00 0.00 O ATOM 554 CB LYS A 36 -2.361 -9.680 -5.231 1.00 0.00 C ATOM 555 CG LYS A 36 -3.365 -9.228 -4.182 1.00 0.00 C ATOM 556 CD LYS A 36 -3.706 -10.344 -3.204 1.00 0.00 C ATOM 557 CE LYS A 36 -4.336 -11.543 -3.899 1.00 0.00 C ATOM 558 NZ LYS A 36 -5.684 -11.238 -4.451 1.00 0.00 N ATOM 0 H LYS A 36 -3.642 -8.854 -7.424 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.558 -7.733 -5.649 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.783 -10.515 -5.790 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.467 -10.051 -4.730 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.960 -8.377 -3.635 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.275 -8.886 -4.674 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.801 -10.660 -2.686 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.391 -9.964 -2.446 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.683 -11.876 -4.706 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.415 -12.369 -3.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.098 -12.103 -4.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.298 -10.882 -3.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.599 -10.516 -5.195 1.00 0.00 H new ATOM 572 N CYS A 37 0.191 -8.315 -7.284 1.00 0.00 N ATOM 573 CA CYS A 37 1.333 -8.734 -8.078 1.00 0.00 C ATOM 574 C CYS A 37 2.109 -9.821 -7.348 1.00 0.00 C ATOM 575 O CYS A 37 2.111 -9.895 -6.115 1.00 0.00 O ATOM 576 CB CYS A 37 2.249 -7.547 -8.369 1.00 0.00 C ATOM 577 SG CYS A 37 1.382 -6.115 -9.066 1.00 0.00 S ATOM 0 H CYS A 37 0.294 -7.400 -6.845 1.00 0.00 H new ATOM 0 HA CYS A 37 0.967 -9.132 -9.024 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.745 -7.247 -7.446 1.00 0.00 H new ATOM 0 HB3 CYS A 37 3.029 -7.862 -9.062 1.00 0.00 H new ATOM 0 HG CYS A 37 2.232 -5.155 -9.280 1.00 0.00 H new ATOM 583 N ASP A 38 2.770 -10.657 -8.130 1.00 0.00 N ATOM 584 CA ASP A 38 3.456 -11.829 -7.617 1.00 0.00 C ATOM 585 C ASP A 38 4.702 -11.450 -6.821 1.00 0.00 C ATOM 586 O ASP A 38 5.116 -12.183 -5.923 1.00 0.00 O ATOM 587 CB ASP A 38 3.822 -12.750 -8.782 1.00 0.00 C ATOM 588 CG ASP A 38 4.517 -14.020 -8.340 1.00 0.00 C ATOM 589 OD1 ASP A 38 3.833 -14.933 -7.841 1.00 0.00 O ATOM 590 OD2 ASP A 38 5.746 -14.120 -8.522 1.00 0.00 O ATOM 0 H ASP A 38 2.846 -10.541 -9.141 1.00 0.00 H new ATOM 0 HA ASP A 38 2.785 -12.351 -6.934 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.916 -13.010 -9.330 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.469 -12.211 -9.474 1.00 0.00 H new ATOM 595 N ASP A 39 5.294 -10.299 -7.138 1.00 0.00 N ATOM 596 CA ASP A 39 6.517 -9.876 -6.459 1.00 0.00 C ATOM 597 C ASP A 39 6.217 -9.231 -5.104 1.00 0.00 C ATOM 598 O ASP A 39 7.127 -8.979 -4.312 1.00 0.00 O ATOM 599 CB ASP A 39 7.328 -8.915 -7.334 1.00 0.00 C ATOM 600 CG ASP A 39 8.731 -8.692 -6.796 1.00 0.00 C ATOM 601 OD1 ASP A 39 9.515 -9.665 -6.753 1.00 0.00 O ATOM 602 OD2 ASP A 39 9.057 -7.554 -6.406 1.00 0.00 O ATOM 0 H ASP A 39 4.953 -9.652 -7.849 1.00 0.00 H new ATOM 0 HA ASP A 39 7.111 -10.772 -6.281 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.388 -9.312 -8.347 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.809 -7.959 -7.397 1.00 0.00 H new ATOM 607 N GLY A 40 4.945 -8.964 -4.822 1.00 0.00 N ATOM 608 CA GLY A 40 4.579 -8.543 -3.483 1.00 0.00 C ATOM 609 C GLY A 40 4.092 -7.114 -3.418 1.00 0.00 C ATOM 610 O GLY A 40 3.465 -6.711 -2.438 1.00 0.00 O ATOM 0 H GLY A 40 4.173 -9.030 -5.485 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.799 -9.203 -3.103 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.441 -8.656 -2.826 1.00 0.00 H new ATOM 614 N TRP A 41 4.393 -6.336 -4.439 1.00 0.00 N ATOM 615 CA TRP A 41 3.850 -4.994 -4.527 1.00 0.00 C ATOM 616 C TRP A 41 2.438 -5.102 -5.076 1.00 0.00 C ATOM 617 O TRP A 41 2.202 -5.844 -6.018 1.00 0.00 O ATOM 618 CB TRP A 41 4.708 -4.106 -5.426 1.00 0.00 C ATOM 619 CG TRP A 41 6.186 -4.320 -5.267 1.00 0.00 C ATOM 620 CD1 TRP A 41 7.085 -4.462 -6.282 1.00 0.00 C ATOM 621 CD2 TRP A 41 6.945 -4.431 -4.045 1.00 0.00 C ATOM 622 NE1 TRP A 41 8.346 -4.639 -5.781 1.00 0.00 N ATOM 623 CE2 TRP A 41 8.291 -4.626 -4.415 1.00 0.00 C ATOM 624 CE3 TRP A 41 6.631 -4.381 -2.680 1.00 0.00 C ATOM 625 CZ2 TRP A 41 9.311 -4.773 -3.481 1.00 0.00 C ATOM 626 CZ3 TRP A 41 7.647 -4.525 -1.755 1.00 0.00 C ATOM 627 CH2 TRP A 41 8.972 -4.718 -2.159 1.00 0.00 C ATOM 0 H TRP A 41 5.003 -6.605 -5.211 1.00 0.00 H new ATOM 0 HA TRP A 41 3.843 -4.533 -3.539 1.00 0.00 H new ATOM 0 HB2 TRP A 41 4.435 -4.288 -6.465 1.00 0.00 H new ATOM 0 HB3 TRP A 41 4.478 -3.062 -5.214 1.00 0.00 H new ATOM 0 HD1 TRP A 41 6.837 -4.438 -7.333 1.00 0.00 H new ATOM 0 HE1 TRP A 41 9.192 -4.761 -6.338 1.00 0.00 H new ATOM 0 HE3 TRP A 41 5.611 -4.232 -2.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 10.335 -4.925 -3.790 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 7.414 -4.488 -0.701 1.00 0.00 H new ATOM 0 HH2 TRP A 41 9.743 -4.826 -1.410 1.00 0.00 H new ATOM 638 N PHE A 42 1.499 -4.400 -4.483 1.00 0.00 N ATOM 639 CA PHE A 42 0.103 -4.608 -4.803 1.00 0.00 C ATOM 640 C PHE A 42 -0.545 -3.332 -5.320 1.00 0.00 C ATOM 641 O PHE A 42 0.022 -2.250 -5.207 1.00 0.00 O ATOM 642 CB PHE A 42 -0.634 -5.106 -3.564 1.00 0.00 C ATOM 643 CG PHE A 42 -0.089 -6.390 -2.992 1.00 0.00 C ATOM 644 CD1 PHE A 42 0.230 -7.464 -3.814 1.00 0.00 C ATOM 645 CD2 PHE A 42 0.090 -6.526 -1.626 1.00 0.00 C ATOM 646 CE1 PHE A 42 0.718 -8.641 -3.283 1.00 0.00 C ATOM 647 CE2 PHE A 42 0.580 -7.704 -1.089 1.00 0.00 C ATOM 648 CZ PHE A 42 0.894 -8.761 -1.920 1.00 0.00 C ATOM 0 H PHE A 42 1.674 -3.683 -3.779 1.00 0.00 H new ATOM 0 HA PHE A 42 0.040 -5.356 -5.594 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -0.593 -4.334 -2.796 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.685 -5.251 -3.814 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.094 -7.377 -4.882 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.156 -5.703 -0.971 1.00 0.00 H new ATOM 0 HE1 PHE A 42 0.962 -9.467 -3.934 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.716 -7.796 -0.022 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.277 -9.681 -1.503 1.00 0.00 H new ATOM 658 N VAL A 43 -1.724 -3.475 -5.904 1.00 0.00 N ATOM 659 CA VAL A 43 -2.511 -2.337 -6.351 1.00 0.00 C ATOM 660 C VAL A 43 -3.738 -2.185 -5.472 1.00 0.00 C ATOM 661 O VAL A 43 -4.520 -3.120 -5.315 1.00 0.00 O ATOM 662 CB VAL A 43 -2.928 -2.482 -7.830 1.00 0.00 C ATOM 663 CG1 VAL A 43 -4.220 -1.735 -8.121 1.00 0.00 C ATOM 664 CG2 VAL A 43 -1.831 -1.940 -8.708 1.00 0.00 C ATOM 0 H VAL A 43 -2.161 -4.379 -6.081 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.892 -1.443 -6.269 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.095 -3.539 -8.036 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.483 -1.859 -9.171 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.020 -2.134 -7.497 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.085 -0.676 -7.904 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.120 -2.040 -9.754 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.665 -0.888 -8.476 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.913 -2.500 -8.530 1.00 0.00 H new ATOM 674 N GLY A 44 -3.908 -1.000 -4.916 1.00 0.00 N ATOM 675 CA GLY A 44 -4.933 -0.799 -3.911 1.00 0.00 C ATOM 676 C GLY A 44 -5.384 0.638 -3.797 1.00 0.00 C ATOM 677 O GLY A 44 -4.951 1.504 -4.561 1.00 0.00 O ATOM 0 H GLY A 44 -3.357 -0.172 -5.140 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.793 -1.425 -4.149 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.555 -1.132 -2.944 1.00 0.00 H new ATOM 681 N THR A 45 -6.256 0.885 -2.835 1.00 0.00 N ATOM 682 CA THR A 45 -6.813 2.198 -2.612 1.00 0.00 C ATOM 683 C THR A 45 -6.747 2.554 -1.132 1.00 0.00 C ATOM 684 O THR A 45 -7.009 1.716 -0.272 1.00 0.00 O ATOM 685 CB THR A 45 -8.269 2.245 -3.098 1.00 0.00 C ATOM 686 OG1 THR A 45 -8.312 1.989 -4.505 1.00 0.00 O ATOM 687 CG2 THR A 45 -8.918 3.586 -2.804 1.00 0.00 C ATOM 0 H THR A 45 -6.596 0.174 -2.187 1.00 0.00 H new ATOM 0 HA THR A 45 -6.228 2.925 -3.176 1.00 0.00 H new ATOM 0 HB THR A 45 -8.827 1.479 -2.560 1.00 0.00 H new ATOM 0 HG1 THR A 45 -9.241 2.018 -4.814 1.00 0.00 H new ATOM 0 HG21 THR A 45 -9.947 3.579 -3.163 1.00 0.00 H new ATOM 0 HG22 THR A 45 -8.910 3.766 -1.729 1.00 0.00 H new ATOM 0 HG23 THR A 45 -8.363 4.377 -3.308 1.00 0.00 H new ATOM 695 N SER A 46 -6.389 3.794 -0.854 1.00 0.00 N ATOM 696 CA SER A 46 -6.284 4.277 0.515 1.00 0.00 C ATOM 697 C SER A 46 -7.678 4.438 1.111 1.00 0.00 C ATOM 698 O SER A 46 -8.565 4.989 0.472 1.00 0.00 O ATOM 699 CB SER A 46 -5.554 5.618 0.537 1.00 0.00 C ATOM 700 OG SER A 46 -5.457 6.133 1.856 1.00 0.00 O ATOM 0 H SER A 46 -6.164 4.492 -1.563 1.00 0.00 H new ATOM 0 HA SER A 46 -5.721 3.555 1.107 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.555 5.497 0.118 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.081 6.332 -0.096 1.00 0.00 H new ATOM 0 HG SER A 46 -5.036 5.466 2.437 1.00 0.00 H new ATOM 706 N ARG A 47 -7.874 3.943 2.322 1.00 0.00 N ATOM 707 CA ARG A 47 -9.174 4.021 2.982 1.00 0.00 C ATOM 708 C ARG A 47 -9.486 5.456 3.399 1.00 0.00 C ATOM 709 O ARG A 47 -10.645 5.852 3.476 1.00 0.00 O ATOM 710 CB ARG A 47 -9.206 3.115 4.215 1.00 0.00 C ATOM 711 CG ARG A 47 -10.603 2.736 4.655 1.00 0.00 C ATOM 712 CD ARG A 47 -10.557 1.720 5.778 1.00 0.00 C ATOM 713 NE ARG A 47 -11.885 1.195 6.097 1.00 0.00 N ATOM 714 CZ ARG A 47 -12.177 0.497 7.195 1.00 0.00 C ATOM 715 NH1 ARG A 47 -11.256 0.308 8.132 1.00 0.00 N ATOM 716 NH2 ARG A 47 -13.393 -0.012 7.352 1.00 0.00 N ATOM 0 H ARG A 47 -7.150 3.481 2.872 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.929 3.687 2.270 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -8.643 2.206 4.002 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -8.699 3.619 5.038 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -11.139 3.626 4.985 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -11.156 2.326 3.810 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -9.900 0.897 5.496 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -10.126 2.181 6.667 1.00 0.00 H new ATOM 0 HE ARG A 47 -12.639 1.375 5.434 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -10.321 0.697 8.014 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.484 -0.227 8.970 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -14.102 0.131 6.633 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -13.618 -0.546 8.191 1.00 0.00 H new ATOM 730 N ARG A 48 -8.438 6.225 3.667 1.00 0.00 N ATOM 731 CA ARG A 48 -8.581 7.589 4.163 1.00 0.00 C ATOM 732 C ARG A 48 -8.849 8.578 3.033 1.00 0.00 C ATOM 733 O ARG A 48 -9.793 9.367 3.094 1.00 0.00 O ATOM 734 CB ARG A 48 -7.299 7.976 4.901 1.00 0.00 C ATOM 735 CG ARG A 48 -7.178 9.448 5.247 1.00 0.00 C ATOM 736 CD ARG A 48 -5.860 9.718 5.943 1.00 0.00 C ATOM 737 NE ARG A 48 -5.553 11.141 6.048 1.00 0.00 N ATOM 738 CZ ARG A 48 -4.824 11.668 7.030 1.00 0.00 C ATOM 739 NH1 ARG A 48 -4.399 10.900 8.024 1.00 0.00 N ATOM 740 NH2 ARG A 48 -4.540 12.961 7.030 1.00 0.00 N ATOM 0 H ARG A 48 -7.471 5.924 3.548 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.437 7.627 4.836 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -7.238 7.396 5.822 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -6.444 7.691 4.288 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -7.248 10.049 4.340 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -8.005 9.746 5.891 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.887 9.283 6.942 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.059 9.218 5.399 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.917 11.767 5.329 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.631 9.907 8.036 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -3.841 11.303 8.777 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -4.880 13.558 6.276 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -3.981 13.360 7.784 1.00 0.00 H new ATOM 754 N THR A 49 -8.029 8.521 1.998 1.00 0.00 N ATOM 755 CA THR A 49 -8.105 9.491 0.914 1.00 0.00 C ATOM 756 C THR A 49 -8.721 8.883 -0.350 1.00 0.00 C ATOM 757 O THR A 49 -9.064 9.590 -1.300 1.00 0.00 O ATOM 758 CB THR A 49 -6.705 10.096 0.632 1.00 0.00 C ATOM 759 OG1 THR A 49 -6.569 10.492 -0.733 1.00 0.00 O ATOM 760 CG2 THR A 49 -5.602 9.121 0.995 1.00 0.00 C ATOM 0 H THR A 49 -7.302 7.814 1.883 1.00 0.00 H new ATOM 0 HA THR A 49 -8.767 10.297 1.229 1.00 0.00 H new ATOM 0 HB THR A 49 -6.611 10.982 1.259 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.676 10.870 -0.876 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.633 9.574 0.786 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.667 8.876 2.055 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.712 8.211 0.405 1.00 0.00 H new ATOM 768 N LYS A 50 -8.887 7.563 -0.330 1.00 0.00 N ATOM 769 CA LYS A 50 -9.520 6.816 -1.419 1.00 0.00 C ATOM 770 C LYS A 50 -8.752 6.975 -2.725 1.00 0.00 C ATOM 771 O LYS A 50 -9.333 6.953 -3.808 1.00 0.00 O ATOM 772 CB LYS A 50 -10.990 7.218 -1.617 1.00 0.00 C ATOM 773 CG LYS A 50 -11.887 7.022 -0.394 1.00 0.00 C ATOM 774 CD LYS A 50 -11.685 5.670 0.295 1.00 0.00 C ATOM 775 CE LYS A 50 -11.748 4.493 -0.671 1.00 0.00 C ATOM 776 NZ LYS A 50 -13.027 4.433 -1.428 1.00 0.00 N ATOM 0 H LYS A 50 -8.585 6.975 0.447 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.496 5.766 -1.128 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.027 8.267 -1.911 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.400 6.640 -2.445 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.692 7.820 0.323 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.930 7.115 -0.698 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.719 5.667 0.800 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.447 5.543 1.064 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.918 4.562 -1.374 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.617 3.565 -0.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.041 3.577 -2.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.824 4.407 -0.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.111 5.273 -2.035 1.00 0.00 H new ATOM 790 N GLN A 51 -7.439 7.099 -2.618 1.00 0.00 N ATOM 791 CA GLN A 51 -6.595 7.228 -3.792 1.00 0.00 C ATOM 792 C GLN A 51 -6.219 5.851 -4.305 1.00 0.00 C ATOM 793 O GLN A 51 -6.021 4.926 -3.520 1.00 0.00 O ATOM 794 CB GLN A 51 -5.347 8.068 -3.495 1.00 0.00 C ATOM 795 CG GLN A 51 -4.806 7.910 -2.086 1.00 0.00 C ATOM 796 CD GLN A 51 -3.636 8.832 -1.807 1.00 0.00 C ATOM 797 OE1 GLN A 51 -2.744 8.412 -0.924 1.00 0.00 O flip ATOM 798 NE2 GLN A 51 -3.547 9.924 -2.366 1.00 0.00 N flip ATOM 0 H GLN A 51 -6.936 7.113 -1.731 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.155 7.752 -4.567 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.565 7.797 -4.204 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.582 9.119 -3.665 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.602 8.112 -1.370 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.495 6.877 -1.934 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.256 10.211 -3.041 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.764 10.543 -2.155 1.00 0.00 H new ATOM 807 N PHE A 52 -6.141 5.719 -5.616 1.00 0.00 N ATOM 808 CA PHE A 52 -5.931 4.424 -6.247 1.00 0.00 C ATOM 809 C PHE A 52 -4.592 4.376 -6.973 1.00 0.00 C ATOM 810 O PHE A 52 -4.237 5.296 -7.709 1.00 0.00 O ATOM 811 CB PHE A 52 -7.086 4.138 -7.215 1.00 0.00 C ATOM 812 CG PHE A 52 -6.896 2.930 -8.090 1.00 0.00 C ATOM 813 CD1 PHE A 52 -6.779 1.663 -7.542 1.00 0.00 C ATOM 814 CD2 PHE A 52 -6.841 3.067 -9.469 1.00 0.00 C ATOM 815 CE1 PHE A 52 -6.611 0.557 -8.350 1.00 0.00 C ATOM 816 CE2 PHE A 52 -6.673 1.963 -10.282 1.00 0.00 C ATOM 817 CZ PHE A 52 -6.558 0.707 -9.721 1.00 0.00 C ATOM 0 H PHE A 52 -6.220 6.497 -6.271 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.910 3.655 -5.475 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -8.001 4.009 -6.637 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.231 5.010 -7.852 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.820 1.539 -6.470 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.931 4.048 -9.912 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.521 -0.425 -7.910 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.632 2.082 -11.355 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.427 -0.158 -10.354 1.00 0.00 H new ATOM 827 N GLY A 53 -3.851 3.305 -6.744 1.00 0.00 N ATOM 828 CA GLY A 53 -2.579 3.113 -7.409 1.00 0.00 C ATOM 829 C GLY A 53 -1.891 1.862 -6.928 1.00 0.00 C ATOM 830 O GLY A 53 -2.541 0.924 -6.461 1.00 0.00 O ATOM 0 H GLY A 53 -4.111 2.556 -6.102 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.735 3.053 -8.486 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.938 3.976 -7.227 1.00 0.00 H new ATOM 834 N THR A 54 -0.579 1.861 -7.008 1.00 0.00 N ATOM 835 CA THR A 54 0.207 0.730 -6.576 1.00 0.00 C ATOM 836 C THR A 54 0.894 1.038 -5.257 1.00 0.00 C ATOM 837 O THR A 54 1.420 2.123 -5.053 1.00 0.00 O ATOM 838 CB THR A 54 1.261 0.351 -7.635 1.00 0.00 C ATOM 839 OG1 THR A 54 2.157 -0.648 -7.132 1.00 0.00 O ATOM 840 CG2 THR A 54 2.048 1.578 -8.072 1.00 0.00 C ATOM 0 H THR A 54 -0.031 2.640 -7.372 1.00 0.00 H new ATOM 0 HA THR A 54 -0.468 -0.115 -6.442 1.00 0.00 H new ATOM 0 HB THR A 54 0.734 -0.057 -8.498 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.680 -1.229 -6.504 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.787 1.289 -8.820 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.367 2.314 -8.500 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.555 2.011 -7.210 1.00 0.00 H new ATOM 848 N PHE A 55 0.868 0.089 -4.354 1.00 0.00 N ATOM 849 CA PHE A 55 1.527 0.245 -3.078 1.00 0.00 C ATOM 850 C PHE A 55 2.327 -1.003 -2.759 1.00 0.00 C ATOM 851 O PHE A 55 1.876 -2.124 -2.998 1.00 0.00 O ATOM 852 CB PHE A 55 0.514 0.517 -1.957 1.00 0.00 C ATOM 853 CG PHE A 55 -0.370 -0.655 -1.631 1.00 0.00 C ATOM 854 CD1 PHE A 55 -1.347 -1.078 -2.516 1.00 0.00 C ATOM 855 CD2 PHE A 55 -0.215 -1.338 -0.436 1.00 0.00 C ATOM 856 CE1 PHE A 55 -2.152 -2.161 -2.215 1.00 0.00 C ATOM 857 CE2 PHE A 55 -1.017 -2.418 -0.130 1.00 0.00 C ATOM 858 CZ PHE A 55 -1.986 -2.831 -1.021 1.00 0.00 C ATOM 0 H PHE A 55 0.395 -0.806 -4.479 1.00 0.00 H new ATOM 0 HA PHE A 55 2.197 1.103 -3.143 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.054 0.812 -1.057 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.112 1.362 -2.245 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.482 -0.556 -3.452 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.543 -1.021 0.265 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.910 -2.482 -2.914 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.886 -2.940 0.806 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.613 -3.677 -0.784 1.00 0.00 H new ATOM 868 N PRO A 56 3.540 -0.827 -2.250 1.00 0.00 N ATOM 869 CA PRO A 56 4.351 -1.939 -1.790 1.00 0.00 C ATOM 870 C PRO A 56 3.682 -2.643 -0.618 1.00 0.00 C ATOM 871 O PRO A 56 3.603 -2.091 0.483 1.00 0.00 O ATOM 872 CB PRO A 56 5.665 -1.286 -1.351 1.00 0.00 C ATOM 873 CG PRO A 56 5.657 0.075 -1.963 1.00 0.00 C ATOM 874 CD PRO A 56 4.213 0.466 -2.087 1.00 0.00 C ATOM 0 HA PRO A 56 4.497 -2.698 -2.559 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.731 -1.227 -0.265 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.524 -1.864 -1.691 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.201 0.785 -1.341 1.00 0.00 H new ATOM 0 HG3 PRO A 56 6.144 0.067 -2.938 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.860 0.997 -1.203 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.043 1.121 -2.941 1.00 0.00 H new ATOM 882 N GLY A 57 3.204 -3.863 -0.852 1.00 0.00 N ATOM 883 CA GLY A 57 2.502 -4.608 0.186 1.00 0.00 C ATOM 884 C GLY A 57 3.446 -5.157 1.233 1.00 0.00 C ATOM 885 O GLY A 57 3.145 -6.137 1.913 1.00 0.00 O ATOM 0 H GLY A 57 3.289 -4.352 -1.743 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.769 -3.958 0.665 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.950 -5.430 -0.270 1.00 0.00 H new ATOM 889 N ASN A 58 4.585 -4.506 1.357 1.00 0.00 N ATOM 890 CA ASN A 58 5.599 -4.871 2.318 1.00 0.00 C ATOM 891 C ASN A 58 5.459 -3.988 3.555 1.00 0.00 C ATOM 892 O ASN A 58 6.120 -4.192 4.570 1.00 0.00 O ATOM 893 CB ASN A 58 6.973 -4.694 1.669 1.00 0.00 C ATOM 894 CG ASN A 58 8.083 -5.411 2.410 1.00 0.00 C ATOM 895 OD1 ASN A 58 8.757 -4.832 3.263 1.00 0.00 O ATOM 896 ND2 ASN A 58 8.275 -6.682 2.094 1.00 0.00 N ATOM 0 H ASN A 58 4.833 -3.699 0.785 1.00 0.00 H new ATOM 0 HA ASN A 58 5.485 -5.911 2.625 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.933 -5.062 0.644 1.00 0.00 H new ATOM 0 HB3 ASN A 58 7.208 -3.631 1.617 1.00 0.00 H new ATOM 0 HD21 ASN A 58 9.004 -7.220 2.563 1.00 0.00 H new ATOM 0 HD22 ASN A 58 7.694 -7.124 1.381 1.00 0.00 H new ATOM 903 N TYR A 59 4.569 -3.002 3.450 1.00 0.00 N ATOM 904 CA TYR A 59 4.326 -2.056 4.534 1.00 0.00 C ATOM 905 C TYR A 59 2.899 -2.189 5.048 1.00 0.00 C ATOM 906 O TYR A 59 2.388 -1.294 5.717 1.00 0.00 O ATOM 907 CB TYR A 59 4.548 -0.622 4.050 1.00 0.00 C ATOM 908 CG TYR A 59 5.889 -0.392 3.389 1.00 0.00 C ATOM 909 CD1 TYR A 59 7.066 -0.462 4.116 1.00 0.00 C ATOM 910 CD2 TYR A 59 5.974 -0.114 2.034 1.00 0.00 C ATOM 911 CE1 TYR A 59 8.292 -0.257 3.514 1.00 0.00 C ATOM 912 CE2 TYR A 59 7.195 0.091 1.422 1.00 0.00 C ATOM 913 CZ TYR A 59 8.351 0.018 2.165 1.00 0.00 C ATOM 914 OH TYR A 59 9.569 0.225 1.558 1.00 0.00 O ATOM 0 H TYR A 59 4.002 -2.839 2.618 1.00 0.00 H new ATOM 0 HA TYR A 59 5.024 -2.281 5.340 1.00 0.00 H new ATOM 0 HB2 TYR A 59 3.758 -0.362 3.345 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.453 0.055 4.899 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.024 -0.681 5.173 1.00 0.00 H new ATOM 0 HD2 TYR A 59 5.070 -0.057 1.446 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.199 -0.312 4.097 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.242 0.308 0.365 1.00 0.00 H new ATOM 0 HH TYR A 59 9.657 1.170 1.315 1.00 0.00 H new ATOM 924 N VAL A 60 2.264 -3.311 4.742 1.00 0.00 N ATOM 925 CA VAL A 60 0.863 -3.520 5.081 1.00 0.00 C ATOM 926 C VAL A 60 0.658 -4.933 5.603 1.00 0.00 C ATOM 927 O VAL A 60 1.452 -5.830 5.314 1.00 0.00 O ATOM 928 CB VAL A 60 -0.078 -3.255 3.878 1.00 0.00 C ATOM 929 CG1 VAL A 60 -0.056 -1.784 3.486 1.00 0.00 C ATOM 930 CG2 VAL A 60 0.308 -4.123 2.692 1.00 0.00 C ATOM 0 H VAL A 60 2.700 -4.095 4.257 1.00 0.00 H new ATOM 0 HA VAL A 60 0.606 -2.801 5.859 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.092 -3.514 4.181 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.724 -1.623 2.640 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.386 -1.178 4.329 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.958 -1.497 3.208 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.365 -3.921 1.859 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.332 -3.897 2.394 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.235 -5.174 2.971 1.00 0.00 H new ATOM 940 N LYS A 61 -0.392 -5.119 6.378 1.00 0.00 N ATOM 941 CA LYS A 61 -0.644 -6.386 7.041 1.00 0.00 C ATOM 942 C LYS A 61 -2.006 -6.947 6.637 1.00 0.00 C ATOM 943 O LYS A 61 -2.977 -6.200 6.501 1.00 0.00 O ATOM 944 CB LYS A 61 -0.566 -6.180 8.550 1.00 0.00 C ATOM 945 CG LYS A 61 -1.593 -5.194 9.088 1.00 0.00 C ATOM 946 CD LYS A 61 -1.022 -4.317 10.193 1.00 0.00 C ATOM 947 CE LYS A 61 -0.197 -5.118 11.185 1.00 0.00 C ATOM 948 NZ LYS A 61 0.198 -4.302 12.364 1.00 0.00 N ATOM 0 H LYS A 61 -1.092 -4.401 6.566 1.00 0.00 H new ATOM 0 HA LYS A 61 0.111 -7.111 6.737 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.703 -7.141 9.046 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.433 -5.828 8.808 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.950 -4.563 8.274 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.455 -5.741 9.469 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.402 -3.536 9.752 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.837 -3.819 10.718 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.770 -5.984 11.518 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.697 -5.498 10.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.932 -4.804 12.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.570 -3.385 12.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.632 -4.145 12.971 1.00 0.00 H new ATOM 962 N PRO A 62 -2.087 -8.270 6.430 1.00 0.00 N ATOM 963 CA PRO A 62 -3.313 -8.938 5.979 1.00 0.00 C ATOM 964 C PRO A 62 -4.437 -8.851 7.004 1.00 0.00 C ATOM 965 O PRO A 62 -4.306 -9.335 8.131 1.00 0.00 O ATOM 966 CB PRO A 62 -2.890 -10.400 5.777 1.00 0.00 C ATOM 967 CG PRO A 62 -1.399 -10.382 5.760 1.00 0.00 C ATOM 968 CD PRO A 62 -0.984 -9.224 6.616 1.00 0.00 C ATOM 0 HA PRO A 62 -3.710 -8.471 5.078 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -3.266 -11.033 6.581 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -3.289 -10.799 4.844 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -0.994 -11.317 6.147 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -1.023 -10.269 4.743 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -0.871 -9.513 7.661 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -0.029 -8.806 6.296 1.00 0.00 H new ATOM 976 N LEU A 63 -5.533 -8.219 6.610 1.00 0.00 N ATOM 977 CA LEU A 63 -6.694 -8.096 7.475 1.00 0.00 C ATOM 978 C LEU A 63 -7.756 -9.111 7.086 1.00 0.00 C ATOM 979 O LEU A 63 -7.536 -9.969 6.230 1.00 0.00 O ATOM 980 CB LEU A 63 -7.303 -6.699 7.376 1.00 0.00 C ATOM 981 CG LEU A 63 -6.383 -5.537 7.725 1.00 0.00 C ATOM 982 CD1 LEU A 63 -7.122 -4.231 7.504 1.00 0.00 C ATOM 983 CD2 LEU A 63 -5.907 -5.646 9.165 1.00 0.00 C ATOM 0 H LEU A 63 -5.641 -7.783 5.694 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.361 -8.277 8.497 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.665 -6.555 6.358 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.172 -6.657 8.033 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.505 -5.567 7.080 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.467 -3.396 7.753 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.425 -4.156 6.460 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -8.006 -4.201 8.141 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.251 -4.807 9.396 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.767 -5.629 9.835 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.362 -6.580 9.298 1.00 0.00 H new ATOM 995 N TYR A 64 -8.912 -8.984 7.715 1.00 0.00 N ATOM 996 CA TYR A 64 -10.056 -9.833 7.434 1.00 0.00 C ATOM 997 C TYR A 64 -11.336 -9.091 7.786 1.00 0.00 C ATOM 998 O TYR A 64 -11.504 -8.626 8.914 1.00 0.00 O ATOM 999 CB TYR A 64 -9.970 -11.158 8.204 1.00 0.00 C ATOM 1000 CG TYR A 64 -9.152 -11.096 9.476 1.00 0.00 C ATOM 1001 CD1 TYR A 64 -9.642 -10.486 10.624 1.00 0.00 C ATOM 1002 CD2 TYR A 64 -7.884 -11.658 9.523 1.00 0.00 C ATOM 1003 CE1 TYR A 64 -8.889 -10.440 11.781 1.00 0.00 C ATOM 1004 CE2 TYR A 64 -7.129 -11.614 10.673 1.00 0.00 C ATOM 1005 CZ TYR A 64 -7.633 -11.006 11.799 1.00 0.00 C ATOM 1006 OH TYR A 64 -6.875 -10.965 12.945 1.00 0.00 O ATOM 0 H TYR A 64 -9.084 -8.286 8.438 1.00 0.00 H new ATOM 0 HA TYR A 64 -10.059 -10.073 6.371 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -10.980 -11.485 8.453 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -9.542 -11.917 7.549 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -10.626 -10.041 10.612 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -7.483 -12.138 8.643 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -9.283 -9.963 12.666 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -6.144 -12.056 10.691 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.017 -11.411 12.786 1.00 0.00 H new ATOM 1016 N LEU A 65 -12.220 -8.954 6.813 1.00 0.00 N ATOM 1017 CA LEU A 65 -13.457 -8.213 7.002 1.00 0.00 C ATOM 1018 C LEU A 65 -14.587 -9.178 7.342 1.00 0.00 C ATOM 1019 O LEU A 65 -15.060 -9.164 8.499 1.00 0.00 O ATOM 1020 CB LEU A 65 -13.783 -7.405 5.734 1.00 0.00 C ATOM 1021 CG LEU A 65 -14.747 -6.221 5.912 1.00 0.00 C ATOM 1022 CD1 LEU A 65 -14.727 -5.338 4.673 1.00 0.00 C ATOM 1023 CD2 LEU A 65 -16.168 -6.701 6.186 1.00 0.00 C ATOM 1024 OXT LEU A 65 -14.991 -9.956 6.458 1.00 0.00 O ATOM 0 H LEU A 65 -12.104 -9.348 5.879 1.00 0.00 H new ATOM 0 HA LEU A 65 -13.341 -7.514 7.830 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -12.849 -7.027 5.319 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -14.208 -8.084 4.995 1.00 0.00 H new ATOM 0 HG LEU A 65 -14.412 -5.642 6.773 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -15.414 -4.503 4.810 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -13.718 -4.956 4.514 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -15.035 -5.922 3.805 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -16.826 -5.840 6.307 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -16.515 -7.308 5.350 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -16.181 -7.299 7.097 1.00 0.00 H new TER 1036 LEU A 65