USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 558 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 4 MET CE :methyl -144:sc= -5.46! (180deg=-6.48!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.119 K(o=-0.12,f=-1.5!) USER MOD Single : A 16 HIS :FLIP no HD1:sc= -8.25! C(o=-9.5!,f=-8.3!) USER MOD Single : A 18 THR OG1 : rot 62:sc= -3.91! USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0143 USER MOD Single : A 28 CYS SG : rot -130:sc= -6.81! USER MOD Single : A 35 CYS SG : rot 82:sc= -7.83! USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 CYS SG : rot 40:sc= 0 USER MOD Single : A 44 HIS :FLIP no HE2:sc= -0.263 F(o=-2.1,f=-0.26) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -158:sc= 0.0386 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 MET CE :methyl 178:sc= -7.36! (180deg=-7.56!) USER MOD Single : A 67 GLN : amide:sc= -1.11 K(o=-1.1,f=-4!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.196 K(o=-0.2,f=-0.89) USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 76 N MET A 4 -3.540 -1.885 -11.438 1.00 0.00 N ATOM 77 CA MET A 4 -2.570 -2.646 -10.659 1.00 0.00 C ATOM 78 C MET A 4 -3.081 -2.882 -9.243 1.00 0.00 C ATOM 79 O MET A 4 -4.214 -2.528 -8.914 1.00 0.00 O ATOM 80 CB MET A 4 -1.227 -1.916 -10.619 1.00 0.00 C ATOM 81 CG MET A 4 -0.545 -1.823 -11.974 1.00 0.00 C ATOM 82 SD MET A 4 1.144 -1.204 -11.860 1.00 0.00 S ATOM 83 CE MET A 4 1.945 -2.565 -11.014 1.00 0.00 C ATOM 0 HA MET A 4 -2.430 -3.613 -11.142 1.00 0.00 H new ATOM 0 HB2 MET A 4 -1.381 -0.910 -10.229 1.00 0.00 H new ATOM 0 HB3 MET A 4 -0.564 -2.430 -9.922 1.00 0.00 H new ATOM 0 HG2 MET A 4 -0.536 -2.808 -12.440 1.00 0.00 H new ATOM 0 HG3 MET A 4 -1.125 -1.168 -12.624 1.00 0.00 H new ATOM 0 HE1 MET A 4 2.700 -2.175 -10.332 1.00 0.00 H new ATOM 0 HE2 MET A 4 1.203 -3.130 -10.450 1.00 0.00 H new ATOM 0 HE3 MET A 4 2.420 -3.219 -11.745 1.00 0.00 H new ATOM 93 N PHE A 5 -2.244 -3.487 -8.410 1.00 0.00 N ATOM 94 CA PHE A 5 -2.617 -3.776 -7.031 1.00 0.00 C ATOM 95 C PHE A 5 -1.411 -3.678 -6.105 1.00 0.00 C ATOM 96 O PHE A 5 -0.266 -3.781 -6.543 1.00 0.00 O ATOM 97 CB PHE A 5 -3.232 -5.174 -6.935 1.00 0.00 C ATOM 98 CG PHE A 5 -2.262 -6.276 -7.253 1.00 0.00 C ATOM 99 CD1 PHE A 5 -1.945 -7.236 -6.305 1.00 0.00 C ATOM 100 CD2 PHE A 5 -1.664 -6.350 -8.501 1.00 0.00 C ATOM 101 CE1 PHE A 5 -1.051 -8.249 -6.597 1.00 0.00 C ATOM 102 CE2 PHE A 5 -0.768 -7.359 -8.798 1.00 0.00 C ATOM 103 CZ PHE A 5 -0.461 -8.309 -7.844 1.00 0.00 C ATOM 0 H PHE A 5 -1.303 -3.787 -8.665 1.00 0.00 H new ATOM 0 HA PHE A 5 -3.352 -3.035 -6.717 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -3.622 -5.323 -5.928 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.079 -5.238 -7.618 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.402 -7.192 -5.327 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -1.901 -5.610 -9.251 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.814 -8.993 -5.851 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.309 -7.405 -9.774 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.240 -9.098 -8.073 1.00 0.00 H new ATOM 113 N LEU A 6 -1.682 -3.475 -4.821 1.00 0.00 N ATOM 114 CA LEU A 6 -0.626 -3.359 -3.825 1.00 0.00 C ATOM 115 C LEU A 6 -0.860 -4.321 -2.664 1.00 0.00 C ATOM 116 O LEU A 6 -1.995 -4.521 -2.229 1.00 0.00 O ATOM 117 CB LEU A 6 -0.554 -1.930 -3.301 1.00 0.00 C ATOM 118 CG LEU A 6 -1.851 -1.414 -2.690 1.00 0.00 C ATOM 119 CD1 LEU A 6 -1.905 -1.752 -1.210 1.00 0.00 C ATOM 120 CD2 LEU A 6 -1.989 0.087 -2.911 1.00 0.00 C ATOM 0 H LEU A 6 -2.626 -3.387 -4.446 1.00 0.00 H new ATOM 0 HA LEU A 6 0.319 -3.618 -4.303 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.235 -1.871 -2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.265 -1.271 -4.120 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.689 -1.904 -3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.836 -1.378 -0.785 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.856 -2.833 -1.082 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.061 -1.288 -0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.922 0.436 -2.467 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.150 0.602 -2.444 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.995 0.298 -3.980 1.00 0.00 H new ATOM 132 N THR A 7 0.220 -4.910 -2.166 1.00 0.00 N ATOM 133 CA THR A 7 0.135 -5.850 -1.053 1.00 0.00 C ATOM 134 C THR A 7 0.420 -5.154 0.273 1.00 0.00 C ATOM 135 O THR A 7 1.555 -4.764 0.546 1.00 0.00 O ATOM 136 CB THR A 7 1.115 -7.006 -1.243 1.00 0.00 C ATOM 137 OG1 THR A 7 1.019 -7.542 -2.551 1.00 0.00 O ATOM 138 CG2 THR A 7 0.886 -8.131 -0.259 1.00 0.00 C ATOM 0 H THR A 7 1.166 -4.754 -2.515 1.00 0.00 H new ATOM 0 HA THR A 7 -0.881 -6.244 -1.033 1.00 0.00 H new ATOM 0 HB THR A 7 2.106 -6.585 -1.073 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.657 -8.279 -2.650 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.610 -8.925 -0.440 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.005 -7.755 0.757 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.123 -8.524 -0.384 1.00 0.00 H new ATOM 146 N VAL A 8 -0.613 -5.017 1.099 1.00 0.00 N ATOM 147 CA VAL A 8 -0.474 -4.376 2.405 1.00 0.00 C ATOM 148 C VAL A 8 -0.119 -5.403 3.467 1.00 0.00 C ATOM 149 O VAL A 8 -0.325 -6.590 3.269 1.00 0.00 O ATOM 150 CB VAL A 8 -1.767 -3.648 2.834 1.00 0.00 C ATOM 151 CG1 VAL A 8 -1.456 -2.584 3.876 1.00 0.00 C ATOM 152 CG2 VAL A 8 -2.474 -3.038 1.633 1.00 0.00 C ATOM 0 H VAL A 8 -1.557 -5.341 0.888 1.00 0.00 H new ATOM 0 HA VAL A 8 0.325 -3.640 2.310 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.439 -4.381 3.280 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.377 -2.080 4.168 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.006 -3.052 4.751 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.762 -1.856 3.457 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.381 -2.532 1.963 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.813 -2.319 1.148 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.735 -3.825 0.926 1.00 0.00 H new ATOM 162 N TYR A 9 0.428 -4.943 4.583 1.00 0.00 N ATOM 163 CA TYR A 9 0.820 -5.837 5.664 1.00 0.00 C ATOM 164 C TYR A 9 -0.068 -5.653 6.875 1.00 0.00 C ATOM 165 O TYR A 9 -0.226 -4.539 7.396 1.00 0.00 O ATOM 166 CB TYR A 9 2.286 -5.636 6.041 1.00 0.00 C ATOM 167 CG TYR A 9 3.238 -6.473 5.208 1.00 0.00 C ATOM 168 CD1 TYR A 9 3.010 -6.673 3.850 1.00 0.00 C ATOM 169 CD2 TYR A 9 4.359 -7.064 5.776 1.00 0.00 C ATOM 170 CE1 TYR A 9 3.871 -7.441 3.084 1.00 0.00 C ATOM 171 CE2 TYR A 9 5.225 -7.832 5.017 1.00 0.00 C ATOM 172 CZ TYR A 9 4.975 -8.017 3.674 1.00 0.00 C ATOM 173 OH TYR A 9 5.836 -8.780 2.917 1.00 0.00 O ATOM 0 H TYR A 9 0.611 -3.956 4.764 1.00 0.00 H new ATOM 0 HA TYR A 9 0.697 -6.859 5.304 1.00 0.00 H new ATOM 0 HB2 TYR A 9 2.543 -4.583 5.926 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.421 -5.884 7.094 1.00 0.00 H new ATOM 0 HD1 TYR A 9 2.146 -6.221 3.385 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.558 -6.922 6.828 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.678 -7.587 2.031 1.00 0.00 H new ATOM 0 HE2 TYR A 9 6.092 -8.284 5.475 1.00 0.00 H new ATOM 0 HH TYR A 9 6.563 -9.112 3.484 1.00 0.00 H new ATOM 183 N LEU A 10 -0.652 -6.768 7.300 1.00 0.00 N ATOM 184 CA LEU A 10 -1.552 -6.793 8.439 1.00 0.00 C ATOM 185 C LEU A 10 -0.799 -6.940 9.751 1.00 0.00 C ATOM 186 O LEU A 10 0.189 -7.668 9.839 1.00 0.00 O ATOM 187 CB LEU A 10 -2.549 -7.944 8.297 1.00 0.00 C ATOM 188 CG LEU A 10 -3.857 -7.584 7.597 1.00 0.00 C ATOM 189 CD1 LEU A 10 -4.360 -8.754 6.765 1.00 0.00 C ATOM 190 CD2 LEU A 10 -4.905 -7.161 8.615 1.00 0.00 C ATOM 0 H LEU A 10 -0.512 -7.679 6.862 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.082 -5.841 8.455 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.070 -8.753 7.745 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.780 -8.329 9.290 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.669 -6.745 6.927 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.293 -8.477 6.274 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.616 -9.011 6.011 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.532 -9.614 7.413 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.831 -6.908 8.100 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.089 -7.980 9.310 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.547 -6.291 9.166 1.00 0.00 H new ATOM 241 N GLU A 14 6.138 -9.116 8.298 1.00 0.00 N ATOM 242 CA GLU A 14 6.968 -10.278 7.996 1.00 0.00 C ATOM 243 C GLU A 14 6.316 -11.183 6.954 1.00 0.00 C ATOM 244 O GLU A 14 6.896 -11.437 5.899 1.00 0.00 O ATOM 245 CB GLU A 14 7.265 -11.078 9.268 1.00 0.00 C ATOM 246 CG GLU A 14 8.631 -11.746 9.261 1.00 0.00 C ATOM 247 CD GLU A 14 9.154 -12.016 10.658 1.00 0.00 C ATOM 248 OE1 GLU A 14 8.393 -12.563 11.482 1.00 0.00 O ATOM 249 OE2 GLU A 14 10.327 -11.680 10.927 1.00 0.00 O ATOM 0 HA GLU A 14 7.905 -9.905 7.582 1.00 0.00 H new ATOM 0 HB2 GLU A 14 7.199 -10.413 10.129 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.497 -11.841 9.395 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.569 -12.686 8.712 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.339 -11.111 8.728 1.00 0.00 H new ATOM 256 N GLN A 15 5.120 -11.686 7.254 1.00 0.00 N ATOM 257 CA GLN A 15 4.432 -12.579 6.325 1.00 0.00 C ATOM 258 C GLN A 15 2.924 -12.357 6.291 1.00 0.00 C ATOM 259 O GLN A 15 2.227 -13.053 5.551 1.00 0.00 O ATOM 260 CB GLN A 15 4.736 -14.037 6.675 1.00 0.00 C ATOM 261 CG GLN A 15 5.595 -14.744 5.640 1.00 0.00 C ATOM 262 CD GLN A 15 6.383 -15.899 6.227 1.00 0.00 C ATOM 263 OE1 GLN A 15 6.772 -15.869 7.395 1.00 0.00 O ATOM 264 NE2 GLN A 15 6.622 -16.925 5.419 1.00 0.00 N ATOM 0 H GLN A 15 4.614 -11.494 8.119 1.00 0.00 H new ATOM 0 HA GLN A 15 4.810 -12.347 5.329 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.241 -14.073 7.640 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.797 -14.579 6.787 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.958 -15.115 4.837 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.285 -14.027 5.195 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.281 -16.908 4.458 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.147 -17.731 5.759 1.00 0.00 H new ATOM 273 N HIS A 16 2.403 -11.385 7.040 1.00 0.00 N ATOM 274 CA HIS A 16 0.969 -11.144 6.976 1.00 0.00 C ATOM 275 C HIS A 16 0.727 -9.950 6.075 1.00 0.00 C ATOM 276 O HIS A 16 1.207 -8.849 6.340 1.00 0.00 O ATOM 277 CB HIS A 16 0.435 -10.839 8.380 1.00 0.00 C ATOM 278 CG HIS A 16 -1.054 -10.897 8.515 1.00 0.00 C ATOM 279 ND1 HIS A 16 -1.848 -10.563 9.559 1.00 0.00 N flip ATOM 280 CD2 HIS A 16 -1.899 -11.314 7.510 1.00 0.00 C flip ATOM 281 CE1 HIS A 16 -3.147 -10.776 9.174 1.00 0.00 C flip ATOM 282 NE2 HIS A 16 -3.151 -11.230 7.931 1.00 0.00 N flip ATOM 0 H HIS A 16 2.927 -10.778 7.670 1.00 0.00 H new ATOM 0 HA HIS A 16 0.458 -12.024 6.585 1.00 0.00 H new ATOM 0 HB2 HIS A 16 0.877 -11.546 9.082 1.00 0.00 H new ATOM 0 HB3 HIS A 16 0.773 -9.845 8.673 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -1.589 -11.655 6.533 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.021 -10.602 9.784 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -3.980 -11.474 7.389 1.00 0.00 H new ATOM 291 N PHE A 17 -0.029 -10.173 5.015 1.00 0.00 N ATOM 292 CA PHE A 17 -0.346 -9.113 4.083 1.00 0.00 C ATOM 293 C PHE A 17 -1.740 -9.241 3.511 1.00 0.00 C ATOM 294 O PHE A 17 -2.314 -10.329 3.466 1.00 0.00 O ATOM 295 CB PHE A 17 0.677 -9.039 2.959 1.00 0.00 C ATOM 296 CG PHE A 17 0.970 -10.357 2.338 1.00 0.00 C ATOM 297 CD1 PHE A 17 2.098 -11.066 2.718 1.00 0.00 C ATOM 298 CD2 PHE A 17 0.125 -10.887 1.373 1.00 0.00 C ATOM 299 CE1 PHE A 17 2.390 -12.281 2.151 1.00 0.00 C ATOM 300 CE2 PHE A 17 0.413 -12.112 0.798 1.00 0.00 C ATOM 301 CZ PHE A 17 1.548 -12.810 1.186 1.00 0.00 C ATOM 0 H PHE A 17 -0.433 -11.080 4.781 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.309 -8.185 4.654 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.313 -8.357 2.191 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.603 -8.615 3.348 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.756 -10.657 3.470 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.758 -10.343 1.071 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.273 -12.823 2.456 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.245 -12.525 0.048 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.775 -13.765 0.736 1.00 0.00 H new ATOM 311 N THR A 18 -2.241 -8.137 3.000 1.00 0.00 N ATOM 312 CA THR A 18 -3.524 -8.124 2.338 1.00 0.00 C ATOM 313 C THR A 18 -3.392 -7.307 1.065 1.00 0.00 C ATOM 314 O THR A 18 -3.132 -6.105 1.110 1.00 0.00 O ATOM 315 CB THR A 18 -4.617 -7.554 3.241 1.00 0.00 C ATOM 316 OG1 THR A 18 -5.865 -7.539 2.570 1.00 0.00 O ATOM 317 CG2 THR A 18 -4.329 -6.145 3.706 1.00 0.00 C ATOM 0 H THR A 18 -1.774 -7.231 3.032 1.00 0.00 H new ATOM 0 HA THR A 18 -3.819 -9.146 2.099 1.00 0.00 H new ATOM 0 HB THR A 18 -4.646 -8.209 4.111 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.125 -8.456 2.342 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.143 -5.799 4.343 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.396 -6.131 4.269 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.240 -5.487 2.841 1.00 0.00 H new ATOM 325 N GLU A 19 -3.533 -7.971 -0.070 1.00 0.00 N ATOM 326 CA GLU A 19 -3.387 -7.308 -1.355 1.00 0.00 C ATOM 327 C GLU A 19 -4.725 -6.832 -1.891 1.00 0.00 C ATOM 328 O GLU A 19 -5.775 -7.387 -1.569 1.00 0.00 O ATOM 329 CB GLU A 19 -2.712 -8.244 -2.356 1.00 0.00 C ATOM 330 CG GLU A 19 -3.207 -9.681 -2.293 1.00 0.00 C ATOM 331 CD GLU A 19 -3.127 -10.383 -3.635 1.00 0.00 C ATOM 332 OE1 GLU A 19 -4.183 -10.817 -4.140 1.00 0.00 O ATOM 333 OE2 GLU A 19 -2.009 -10.499 -4.178 1.00 0.00 O ATOM 0 H GLU A 19 -3.748 -8.966 -0.128 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.759 -6.429 -1.211 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.873 -7.859 -3.363 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.636 -8.233 -2.179 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.617 -10.233 -1.562 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.239 -9.691 -1.942 1.00 0.00 H new ATOM 340 N VAL A 20 -4.676 -5.774 -2.691 1.00 0.00 N ATOM 341 CA VAL A 20 -5.888 -5.192 -3.252 1.00 0.00 C ATOM 342 C VAL A 20 -5.648 -4.517 -4.603 1.00 0.00 C ATOM 343 O VAL A 20 -4.701 -3.745 -4.761 1.00 0.00 O ATOM 344 CB VAL A 20 -6.473 -4.140 -2.294 1.00 0.00 C ATOM 345 CG1 VAL A 20 -7.071 -4.806 -1.067 1.00 0.00 C ATOM 346 CG2 VAL A 20 -5.399 -3.132 -1.897 1.00 0.00 C ATOM 0 H VAL A 20 -3.814 -5.303 -2.965 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.582 -6.020 -3.394 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.272 -3.606 -2.809 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.479 -4.045 -0.402 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.867 -5.485 -1.373 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.297 -5.367 -0.544 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.826 -2.393 -1.219 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.580 -3.650 -1.399 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.023 -2.631 -2.789 1.00 0.00 H new ATOM 356 N PRO A 21 -6.529 -4.778 -5.590 1.00 0.00 N ATOM 357 CA PRO A 21 -6.444 -4.179 -6.915 1.00 0.00 C ATOM 358 C PRO A 21 -7.237 -2.878 -6.968 1.00 0.00 C ATOM 359 O PRO A 21 -8.468 -2.895 -6.982 1.00 0.00 O ATOM 360 CB PRO A 21 -7.091 -5.243 -7.792 1.00 0.00 C ATOM 361 CG PRO A 21 -8.149 -5.849 -6.925 1.00 0.00 C ATOM 362 CD PRO A 21 -7.704 -5.665 -5.489 1.00 0.00 C ATOM 0 HA PRO A 21 -5.429 -3.920 -7.217 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.519 -4.807 -8.695 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.364 -5.990 -8.112 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.111 -5.366 -7.096 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.278 -6.906 -7.156 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.491 -5.218 -4.882 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.446 -6.617 -5.026 1.00 0.00 H new ATOM 370 N VAL A 22 -6.533 -1.752 -6.965 1.00 0.00 N ATOM 371 CA VAL A 22 -7.191 -0.449 -6.976 1.00 0.00 C ATOM 372 C VAL A 22 -6.918 0.331 -8.256 1.00 0.00 C ATOM 373 O VAL A 22 -5.832 0.259 -8.832 1.00 0.00 O ATOM 374 CB VAL A 22 -6.765 0.411 -5.749 1.00 0.00 C ATOM 375 CG1 VAL A 22 -5.520 -0.163 -5.089 1.00 0.00 C ATOM 376 CG2 VAL A 22 -6.535 1.874 -6.131 1.00 0.00 C ATOM 0 H VAL A 22 -5.514 -1.713 -6.955 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.261 -0.652 -6.923 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.588 0.379 -5.035 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.243 0.455 -4.235 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.723 -1.179 -4.751 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.701 -0.177 -5.808 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.240 2.439 -5.247 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.746 1.935 -6.881 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.455 2.293 -6.538 1.00 0.00 H new ATOM 386 N THR A 23 -7.910 1.115 -8.656 1.00 0.00 N ATOM 387 CA THR A 23 -7.804 1.973 -9.824 1.00 0.00 C ATOM 388 C THR A 23 -7.451 3.374 -9.341 1.00 0.00 C ATOM 389 O THR A 23 -7.501 3.636 -8.140 1.00 0.00 O ATOM 390 CB THR A 23 -9.120 1.985 -10.609 1.00 0.00 C ATOM 391 OG1 THR A 23 -10.036 2.905 -10.043 1.00 0.00 O ATOM 392 CG2 THR A 23 -9.801 0.634 -10.659 1.00 0.00 C ATOM 0 H THR A 23 -8.810 1.173 -8.179 1.00 0.00 H new ATOM 0 HA THR A 23 -7.031 1.601 -10.496 1.00 0.00 H new ATOM 0 HB THR A 23 -8.845 2.274 -11.623 1.00 0.00 H new ATOM 0 HG1 THR A 23 -10.868 2.898 -10.560 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.726 0.714 -11.230 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.141 -0.089 -11.138 1.00 0.00 H new ATOM 0 HG23 THR A 23 -10.027 0.303 -9.645 1.00 0.00 H new ATOM 400 N PRO A 24 -7.086 4.304 -10.229 1.00 0.00 N ATOM 401 CA PRO A 24 -6.736 5.653 -9.799 1.00 0.00 C ATOM 402 C PRO A 24 -7.962 6.455 -9.382 1.00 0.00 C ATOM 403 O PRO A 24 -8.268 7.502 -9.954 1.00 0.00 O ATOM 404 CB PRO A 24 -6.053 6.253 -11.019 1.00 0.00 C ATOM 405 CG PRO A 24 -6.623 5.516 -12.185 1.00 0.00 C ATOM 406 CD PRO A 24 -6.987 4.137 -11.691 1.00 0.00 C ATOM 0 HA PRO A 24 -6.097 5.657 -8.916 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.249 7.323 -11.094 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.971 6.130 -10.966 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.500 6.031 -12.577 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.899 5.457 -12.997 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.929 3.794 -12.119 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -6.228 3.402 -11.960 1.00 0.00 H new ATOM 414 N GLU A 25 -8.651 5.947 -8.363 1.00 0.00 N ATOM 415 CA GLU A 25 -9.843 6.584 -7.823 1.00 0.00 C ATOM 416 C GLU A 25 -9.848 6.451 -6.305 1.00 0.00 C ATOM 417 O GLU A 25 -10.008 7.435 -5.584 1.00 0.00 O ATOM 418 CB GLU A 25 -11.104 5.951 -8.414 1.00 0.00 C ATOM 419 CG GLU A 25 -11.333 6.298 -9.876 1.00 0.00 C ATOM 420 CD GLU A 25 -11.770 7.737 -10.071 1.00 0.00 C ATOM 421 OE1 GLU A 25 -10.964 8.537 -10.592 1.00 0.00 O ATOM 422 OE2 GLU A 25 -12.918 8.063 -9.704 1.00 0.00 O ATOM 0 H GLU A 25 -8.396 5.080 -7.890 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.833 7.640 -8.092 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -11.038 4.868 -8.313 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.968 6.273 -7.833 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.414 6.122 -10.436 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -12.091 5.633 -10.289 1.00 0.00 H new ATOM 429 N THR A 26 -9.643 5.224 -5.829 1.00 0.00 N ATOM 430 CA THR A 26 -9.593 4.957 -4.397 1.00 0.00 C ATOM 431 C THR A 26 -8.160 5.064 -3.904 1.00 0.00 C ATOM 432 O THR A 26 -7.219 4.799 -4.653 1.00 0.00 O ATOM 433 CB THR A 26 -10.147 3.573 -4.077 1.00 0.00 C ATOM 434 OG1 THR A 26 -9.640 2.605 -4.979 1.00 0.00 O ATOM 435 CG2 THR A 26 -11.656 3.510 -4.131 1.00 0.00 C ATOM 0 H THR A 26 -9.509 4.401 -6.416 1.00 0.00 H new ATOM 0 HA THR A 26 -10.211 5.698 -3.890 1.00 0.00 H new ATOM 0 HB THR A 26 -9.826 3.362 -3.057 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.007 1.725 -4.754 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.987 2.499 -3.894 1.00 0.00 H new ATOM 0 HG22 THR A 26 -12.075 4.208 -3.407 1.00 0.00 H new ATOM 0 HG23 THR A 26 -11.996 3.777 -5.132 1.00 0.00 H new ATOM 443 N ILE A 27 -7.986 5.454 -2.648 1.00 0.00 N ATOM 444 CA ILE A 27 -6.641 5.583 -2.095 1.00 0.00 C ATOM 445 C ILE A 27 -6.527 5.058 -0.665 1.00 0.00 C ATOM 446 O ILE A 27 -7.276 5.460 0.225 1.00 0.00 O ATOM 447 CB ILE A 27 -6.228 7.067 -2.090 1.00 0.00 C ATOM 448 CG1 ILE A 27 -7.050 7.857 -1.058 1.00 0.00 C ATOM 449 CG2 ILE A 27 -6.390 7.670 -3.477 1.00 0.00 C ATOM 450 CD1 ILE A 27 -8.531 7.535 -1.040 1.00 0.00 C ATOM 0 H ILE A 27 -8.742 5.683 -2.002 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.988 4.983 -2.728 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.177 7.129 -1.808 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -6.640 7.667 -0.066 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -6.927 8.922 -1.255 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.094 8.719 -3.455 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.760 7.130 -4.184 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -7.432 7.594 -3.787 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.026 8.141 -0.281 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -8.963 7.753 -2.017 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.671 6.479 -0.809 1.00 0.00 H new ATOM 462 N CYS A 28 -5.543 4.193 -0.451 1.00 0.00 N ATOM 463 CA CYS A 28 -5.245 3.617 0.862 1.00 0.00 C ATOM 464 C CYS A 28 -6.511 3.303 1.658 1.00 0.00 C ATOM 465 O CYS A 28 -6.473 3.175 2.887 1.00 0.00 O ATOM 466 CB CYS A 28 -4.329 4.534 1.655 1.00 0.00 C ATOM 467 SG CYS A 28 -3.254 3.669 2.821 1.00 0.00 S ATOM 0 H CYS A 28 -4.921 3.866 -1.190 1.00 0.00 H new ATOM 0 HA CYS A 28 -4.732 2.671 0.687 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.711 5.103 0.960 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.938 5.253 2.203 1.00 0.00 H new ATOM 0 HG CYS A 28 -3.340 4.231 3.990 1.00 0.00 H new ATOM 473 N ARG A 29 -7.616 3.129 0.953 1.00 0.00 N ATOM 474 CA ARG A 29 -8.878 2.789 1.584 1.00 0.00 C ATOM 475 C ARG A 29 -8.905 1.294 1.758 1.00 0.00 C ATOM 476 O ARG A 29 -9.275 0.771 2.808 1.00 0.00 O ATOM 477 CB ARG A 29 -10.060 3.253 0.729 1.00 0.00 C ATOM 478 CG ARG A 29 -11.351 3.416 1.514 1.00 0.00 C ATOM 479 CD ARG A 29 -11.589 4.868 1.898 1.00 0.00 C ATOM 480 NE ARG A 29 -12.914 5.070 2.480 1.00 0.00 N ATOM 481 CZ ARG A 29 -13.259 4.653 3.697 1.00 0.00 C ATOM 482 NH1 ARG A 29 -12.382 4.012 4.461 1.00 0.00 N ATOM 483 NH2 ARG A 29 -14.485 4.878 4.150 1.00 0.00 N ATOM 0 H ARG A 29 -7.663 3.218 -0.062 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.965 3.290 2.548 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.807 4.204 0.260 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.221 2.534 -0.074 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -12.189 3.054 0.918 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.311 2.802 2.414 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -10.828 5.184 2.611 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -11.480 5.499 1.016 1.00 0.00 H new ATOM 0 HE ARG A 29 -13.615 5.558 1.922 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -11.438 3.837 4.117 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -12.652 3.695 5.392 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -15.162 5.370 3.567 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -14.751 4.559 5.082 1.00 0.00 H new ATOM 497 N ASP A 30 -8.452 0.620 0.715 1.00 0.00 N ATOM 498 CA ASP A 30 -8.356 -0.827 0.733 1.00 0.00 C ATOM 499 C ASP A 30 -7.205 -1.233 1.647 1.00 0.00 C ATOM 500 O ASP A 30 -7.268 -2.254 2.333 1.00 0.00 O ATOM 501 CB ASP A 30 -8.130 -1.370 -0.679 1.00 0.00 C ATOM 502 CG ASP A 30 -9.431 -1.647 -1.407 1.00 0.00 C ATOM 503 OD1 ASP A 30 -9.417 -2.452 -2.361 1.00 0.00 O ATOM 504 OD2 ASP A 30 -10.463 -1.057 -1.023 1.00 0.00 O ATOM 0 H ASP A 30 -8.145 1.054 -0.156 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.289 -1.247 1.108 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.542 -0.652 -1.251 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.546 -2.288 -0.623 1.00 0.00 H new ATOM 509 N VAL A 31 -6.158 -0.403 1.663 1.00 0.00 N ATOM 510 CA VAL A 31 -4.993 -0.652 2.501 1.00 0.00 C ATOM 511 C VAL A 31 -5.380 -0.618 3.977 1.00 0.00 C ATOM 512 O VAL A 31 -5.101 -1.557 4.726 1.00 0.00 O ATOM 513 CB VAL A 31 -3.896 0.411 2.236 1.00 0.00 C ATOM 514 CG1 VAL A 31 -2.743 0.304 3.231 1.00 0.00 C ATOM 515 CG2 VAL A 31 -3.372 0.302 0.812 1.00 0.00 C ATOM 0 H VAL A 31 -6.098 0.447 1.102 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.604 -1.640 2.253 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.359 1.389 2.370 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.998 1.068 3.008 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.121 0.450 4.243 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.286 -0.683 3.154 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.603 1.057 0.648 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.946 -0.689 0.656 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.191 0.460 0.110 1.00 0.00 H new ATOM 525 N VAL A 32 -6.035 0.464 4.390 1.00 0.00 N ATOM 526 CA VAL A 32 -6.460 0.603 5.776 1.00 0.00 C ATOM 527 C VAL A 32 -7.644 -0.308 6.092 1.00 0.00 C ATOM 528 O VAL A 32 -7.644 -1.013 7.101 1.00 0.00 O ATOM 529 CB VAL A 32 -6.824 2.060 6.114 1.00 0.00 C ATOM 530 CG1 VAL A 32 -7.363 2.159 7.532 1.00 0.00 C ATOM 531 CG2 VAL A 32 -5.606 2.954 5.936 1.00 0.00 C ATOM 0 H VAL A 32 -6.281 1.250 3.789 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.613 0.304 6.394 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.605 2.396 5.432 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.615 3.196 7.754 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.256 1.540 7.626 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.605 1.812 8.234 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.872 3.983 6.177 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.809 2.620 6.600 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.263 2.900 4.903 1.00 0.00 H new ATOM 541 N ASP A 33 -8.656 -0.278 5.231 1.00 0.00 N ATOM 542 CA ASP A 33 -9.855 -1.089 5.424 1.00 0.00 C ATOM 543 C ASP A 33 -9.516 -2.555 5.688 1.00 0.00 C ATOM 544 O ASP A 33 -10.137 -3.197 6.535 1.00 0.00 O ATOM 545 CB ASP A 33 -10.772 -0.983 4.204 1.00 0.00 C ATOM 546 CG ASP A 33 -12.076 -1.736 4.390 1.00 0.00 C ATOM 547 OD1 ASP A 33 -12.333 -2.677 3.610 1.00 0.00 O ATOM 548 OD2 ASP A 33 -12.838 -1.384 5.314 1.00 0.00 O ATOM 0 H ASP A 33 -8.670 0.300 4.391 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.370 -0.700 6.303 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.988 0.067 4.006 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.253 -1.373 3.328 1.00 0.00 H new ATOM 553 N LEU A 34 -8.545 -3.090 4.953 1.00 0.00 N ATOM 554 CA LEU A 34 -8.162 -4.488 5.118 1.00 0.00 C ATOM 555 C LEU A 34 -7.170 -4.678 6.264 1.00 0.00 C ATOM 556 O LEU A 34 -7.211 -5.694 6.957 1.00 0.00 O ATOM 557 CB LEU A 34 -7.577 -5.043 3.817 1.00 0.00 C ATOM 558 CG LEU A 34 -8.562 -5.840 2.960 1.00 0.00 C ATOM 559 CD1 LEU A 34 -8.130 -5.834 1.503 1.00 0.00 C ATOM 560 CD2 LEU A 34 -8.681 -7.266 3.478 1.00 0.00 C ATOM 0 H LEU A 34 -8.014 -2.583 4.245 1.00 0.00 H new ATOM 0 HA LEU A 34 -9.067 -5.042 5.368 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.191 -4.213 3.225 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.728 -5.683 4.060 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.541 -5.365 3.027 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.843 -6.406 0.910 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.095 -4.808 1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.141 -6.284 1.415 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.385 -7.821 2.858 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.705 -7.750 3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.038 -7.250 4.508 1.00 0.00 H new ATOM 572 N CYS A 35 -6.275 -3.712 6.465 1.00 0.00 N ATOM 573 CA CYS A 35 -5.287 -3.823 7.534 1.00 0.00 C ATOM 574 C CYS A 35 -5.737 -3.109 8.802 1.00 0.00 C ATOM 575 O CYS A 35 -4.920 -2.625 9.586 1.00 0.00 O ATOM 576 CB CYS A 35 -3.933 -3.285 7.080 1.00 0.00 C ATOM 577 SG CYS A 35 -3.024 -4.393 5.981 1.00 0.00 S ATOM 0 H CYS A 35 -6.214 -2.858 5.911 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.187 -4.883 7.767 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.085 -2.333 6.572 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.322 -3.083 7.960 1.00 0.00 H new ATOM 0 HG CYS A 35 -3.463 -4.254 4.765 1.00 0.00 H new ATOM 583 N LYS A 36 -7.040 -3.074 9.003 1.00 0.00 N ATOM 584 CA LYS A 36 -7.626 -2.449 10.183 1.00 0.00 C ATOM 585 C LYS A 36 -8.415 -3.472 10.995 1.00 0.00 C ATOM 586 O LYS A 36 -9.035 -4.377 10.435 1.00 0.00 O ATOM 587 CB LYS A 36 -8.538 -1.288 9.783 1.00 0.00 C ATOM 588 CG LYS A 36 -7.826 0.054 9.741 1.00 0.00 C ATOM 589 CD LYS A 36 -7.395 0.499 11.130 1.00 0.00 C ATOM 590 CE LYS A 36 -5.928 0.189 11.385 1.00 0.00 C ATOM 591 NZ LYS A 36 -5.708 -0.399 12.737 1.00 0.00 N ATOM 0 H LYS A 36 -7.723 -3.474 8.360 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.814 -2.061 10.798 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.967 -1.494 8.802 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.368 -1.229 10.487 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.953 -0.016 9.093 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.486 0.804 9.306 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.566 1.570 11.239 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.009 0.000 11.880 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.567 -0.504 10.625 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.342 1.103 11.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.695 -0.595 12.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.029 0.272 13.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.246 -1.285 12.822 1.00 0.00 H new ATOM 679 N CYS A 43 -4.294 6.512 11.332 1.00 0.00 N ATOM 680 CA CYS A 43 -3.260 5.570 10.922 1.00 0.00 C ATOM 681 C CYS A 43 -2.809 5.839 9.491 1.00 0.00 C ATOM 682 O CYS A 43 -3.613 6.206 8.633 1.00 0.00 O ATOM 683 CB CYS A 43 -3.773 4.133 11.044 1.00 0.00 C ATOM 684 SG CYS A 43 -4.578 3.767 12.620 1.00 0.00 S ATOM 0 HA CYS A 43 -2.404 5.703 11.583 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -4.478 3.941 10.235 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.937 3.447 10.908 1.00 0.00 H new ATOM 0 HG CYS A 43 -5.297 4.786 12.987 1.00 0.00 H new ATOM 690 N HIS A 44 -1.517 5.652 9.238 1.00 0.00 N ATOM 691 CA HIS A 44 -0.954 5.871 7.911 1.00 0.00 C ATOM 692 C HIS A 44 -0.371 4.575 7.353 1.00 0.00 C ATOM 693 O HIS A 44 -0.044 3.653 8.105 1.00 0.00 O ATOM 694 CB HIS A 44 0.112 6.978 7.954 1.00 0.00 C ATOM 695 CG HIS A 44 1.526 6.481 8.008 1.00 0.00 C ATOM 696 ND1 HIS A 44 2.435 6.284 7.022 1.00 0.00 N flip ATOM 697 CD2 HIS A 44 2.154 6.122 9.181 1.00 0.00 C flip ATOM 698 CE1 HIS A 44 3.582 5.815 7.615 1.00 0.00 C flip ATOM 699 NE2 HIS A 44 3.387 5.727 8.918 1.00 0.00 N flip ATOM 0 H HIS A 44 -0.839 5.348 9.937 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.754 6.195 7.246 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.004 7.610 7.074 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.072 7.607 8.825 1.00 0.00 H new ATOM 0 HD1 HIS A 44 2.294 6.452 6.026 1.00 0.00 H new ATOM 0 HD2 HIS A 44 1.707 6.158 10.164 1.00 0.00 H new ATOM 0 HE1 HIS A 44 4.496 5.560 7.099 1.00 0.00 H new ATOM 708 N LEU A 45 -0.239 4.510 6.033 1.00 0.00 N ATOM 709 CA LEU A 45 0.311 3.330 5.384 1.00 0.00 C ATOM 710 C LEU A 45 1.786 3.557 5.070 1.00 0.00 C ATOM 711 O LEU A 45 2.199 4.685 4.835 1.00 0.00 O ATOM 712 CB LEU A 45 -0.487 3.014 4.114 1.00 0.00 C ATOM 713 CG LEU A 45 0.198 2.086 3.111 1.00 0.00 C ATOM 714 CD1 LEU A 45 0.161 0.652 3.609 1.00 0.00 C ATOM 715 CD2 LEU A 45 -0.462 2.196 1.745 1.00 0.00 C ATOM 0 H LEU A 45 -0.505 5.259 5.394 1.00 0.00 H new ATOM 0 HA LEU A 45 0.233 2.473 6.053 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.436 2.565 4.406 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.720 3.953 3.611 1.00 0.00 H new ATOM 0 HG LEU A 45 1.240 2.391 3.012 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.652 0.002 2.885 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.679 0.586 4.566 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.875 0.337 3.735 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.039 1.528 1.044 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.512 1.916 1.825 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.386 3.222 1.386 1.00 0.00 H new ATOM 727 N ALA A 46 2.581 2.493 5.099 1.00 0.00 N ATOM 728 CA ALA A 46 4.017 2.607 4.840 1.00 0.00 C ATOM 729 C ALA A 46 4.422 1.930 3.531 1.00 0.00 C ATOM 730 O ALA A 46 3.773 0.977 3.085 1.00 0.00 O ATOM 731 CB ALA A 46 4.802 2.015 6.001 1.00 0.00 C ATOM 0 H ALA A 46 2.260 1.545 5.298 1.00 0.00 H new ATOM 0 HA ALA A 46 4.250 3.667 4.743 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.870 2.104 5.801 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.559 2.553 6.917 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.541 0.963 6.118 1.00 0.00 H new ATOM 737 N GLU A 47 5.516 2.417 2.932 1.00 0.00 N ATOM 738 CA GLU A 47 6.032 1.844 1.691 1.00 0.00 C ATOM 739 C GLU A 47 7.533 1.570 1.814 1.00 0.00 C ATOM 740 O GLU A 47 8.339 2.498 1.878 1.00 0.00 O ATOM 741 CB GLU A 47 5.777 2.789 0.518 1.00 0.00 C ATOM 742 CG GLU A 47 6.546 4.098 0.597 1.00 0.00 C ATOM 743 CD GLU A 47 5.712 5.294 0.182 1.00 0.00 C ATOM 744 OE1 GLU A 47 4.926 5.165 -0.780 1.00 0.00 O ATOM 745 OE2 GLU A 47 5.842 6.359 0.821 1.00 0.00 O ATOM 0 H GLU A 47 6.057 3.205 3.289 1.00 0.00 H new ATOM 0 HA GLU A 47 5.512 0.904 1.508 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.042 2.280 -0.409 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.711 3.009 0.468 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.901 4.245 1.617 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.427 4.036 -0.042 1.00 0.00 H new ATOM 752 N VAL A 48 7.899 0.291 1.829 1.00 0.00 N ATOM 753 CA VAL A 48 9.302 -0.112 1.923 1.00 0.00 C ATOM 754 C VAL A 48 9.691 -1.016 0.768 1.00 0.00 C ATOM 755 O VAL A 48 9.040 -2.036 0.533 1.00 0.00 O ATOM 756 CB VAL A 48 9.627 -0.824 3.253 1.00 0.00 C ATOM 757 CG1 VAL A 48 11.135 -0.915 3.449 1.00 0.00 C ATOM 758 CG2 VAL A 48 8.968 -0.109 4.427 1.00 0.00 C ATOM 0 H VAL A 48 7.242 -0.488 1.777 1.00 0.00 H new ATOM 0 HA VAL A 48 9.882 0.810 1.880 1.00 0.00 H new ATOM 0 HB VAL A 48 9.224 -1.836 3.210 1.00 0.00 H new ATOM 0 HG11 VAL A 48 11.350 -1.419 4.391 1.00 0.00 H new ATOM 0 HG12 VAL A 48 11.575 -1.479 2.627 1.00 0.00 H new ATOM 0 HG13 VAL A 48 11.560 0.088 3.470 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.212 -0.629 5.353 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.334 0.917 4.480 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.887 -0.102 4.288 1.00 0.00 H new ATOM 768 N TRP A 49 10.749 -0.665 0.052 1.00 0.00 N ATOM 769 CA TRP A 49 11.187 -1.494 -1.058 1.00 0.00 C ATOM 770 C TRP A 49 12.707 -1.485 -1.213 1.00 0.00 C ATOM 771 O TRP A 49 13.317 -0.432 -1.399 1.00 0.00 O ATOM 772 CB TRP A 49 10.482 -1.059 -2.343 1.00 0.00 C ATOM 773 CG TRP A 49 11.378 -0.536 -3.405 1.00 0.00 C ATOM 774 CD1 TRP A 49 12.137 -1.246 -4.283 1.00 0.00 C ATOM 775 CD2 TRP A 49 11.589 0.826 -3.692 1.00 0.00 C ATOM 776 NE1 TRP A 49 12.810 -0.387 -5.117 1.00 0.00 N ATOM 777 CE2 TRP A 49 12.492 0.904 -4.762 1.00 0.00 C ATOM 778 CE3 TRP A 49 11.087 1.984 -3.129 1.00 0.00 C ATOM 779 CZ2 TRP A 49 12.910 2.124 -5.286 1.00 0.00 C ATOM 780 CZ3 TRP A 49 11.496 3.200 -3.642 1.00 0.00 C ATOM 781 CH2 TRP A 49 12.402 3.264 -4.713 1.00 0.00 C ATOM 0 H TRP A 49 11.310 0.171 0.216 1.00 0.00 H new ATOM 0 HA TRP A 49 10.909 -2.526 -0.845 1.00 0.00 H new ATOM 0 HB2 TRP A 49 9.929 -1.909 -2.742 1.00 0.00 H new ATOM 0 HB3 TRP A 49 9.750 -0.290 -2.095 1.00 0.00 H new ATOM 0 HD1 TRP A 49 12.201 -2.324 -4.319 1.00 0.00 H new ATOM 0 HE1 TRP A 49 13.439 -0.660 -5.872 1.00 0.00 H new ATOM 0 HE3 TRP A 49 10.390 1.939 -2.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 13.606 2.172 -6.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 11.113 4.114 -3.213 1.00 0.00 H new ATOM 0 HH2 TRP A 49 12.705 4.228 -5.093 1.00 0.00 H new ATOM 792 N CYS A 50 13.310 -2.669 -1.150 1.00 0.00 N ATOM 793 CA CYS A 50 14.758 -2.812 -1.296 1.00 0.00 C ATOM 794 C CYS A 50 15.513 -1.774 -0.468 1.00 0.00 C ATOM 795 O CYS A 50 16.489 -1.185 -0.934 1.00 0.00 O ATOM 796 CB CYS A 50 15.153 -2.688 -2.769 1.00 0.00 C ATOM 797 SG CYS A 50 16.497 -3.791 -3.267 1.00 0.00 S ATOM 0 H CYS A 50 12.816 -3.548 -0.998 1.00 0.00 H new ATOM 0 HA CYS A 50 15.032 -3.800 -0.927 1.00 0.00 H new ATOM 0 HB2 CYS A 50 14.279 -2.895 -3.387 1.00 0.00 H new ATOM 0 HB3 CYS A 50 15.449 -1.658 -2.970 1.00 0.00 H new ATOM 0 HG CYS A 50 16.758 -3.615 -4.528 1.00 0.00 H new ATOM 803 N GLY A 51 15.061 -1.558 0.761 1.00 0.00 N ATOM 804 CA GLY A 51 15.713 -0.595 1.629 1.00 0.00 C ATOM 805 C GLY A 51 15.106 0.794 1.534 1.00 0.00 C ATOM 806 O GLY A 51 15.414 1.665 2.347 1.00 0.00 O ATOM 0 H GLY A 51 14.256 -2.031 1.172 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.651 -0.943 2.660 1.00 0.00 H new ATOM 0 HA3 GLY A 51 16.771 -0.542 1.373 1.00 0.00 H new ATOM 810 N SER A 52 14.240 1.004 0.545 1.00 0.00 N ATOM 811 CA SER A 52 13.595 2.300 0.368 1.00 0.00 C ATOM 812 C SER A 52 12.286 2.352 1.141 1.00 0.00 C ATOM 813 O SER A 52 11.248 1.910 0.650 1.00 0.00 O ATOM 814 CB SER A 52 13.333 2.576 -1.116 1.00 0.00 C ATOM 815 OG SER A 52 14.075 3.697 -1.567 1.00 0.00 O ATOM 0 H SER A 52 13.971 0.298 -0.141 1.00 0.00 H new ATOM 0 HA SER A 52 14.266 3.068 0.754 1.00 0.00 H new ATOM 0 HB2 SER A 52 13.601 1.699 -1.705 1.00 0.00 H new ATOM 0 HB3 SER A 52 12.269 2.753 -1.274 1.00 0.00 H new ATOM 0 HG SER A 52 13.651 4.069 -2.368 1.00 0.00 H new ATOM 821 N GLU A 53 12.340 2.899 2.348 1.00 0.00 N ATOM 822 CA GLU A 53 11.157 3.010 3.188 1.00 0.00 C ATOM 823 C GLU A 53 10.687 4.461 3.259 1.00 0.00 C ATOM 824 O GLU A 53 11.486 5.369 3.481 1.00 0.00 O ATOM 825 CB GLU A 53 11.452 2.485 4.594 1.00 0.00 C ATOM 826 CG GLU A 53 10.287 2.630 5.560 1.00 0.00 C ATOM 827 CD GLU A 53 10.500 1.862 6.851 1.00 0.00 C ATOM 828 OE1 GLU A 53 11.564 2.041 7.479 1.00 0.00 O ATOM 829 OE2 GLU A 53 9.601 1.083 7.233 1.00 0.00 O ATOM 0 H GLU A 53 13.192 3.273 2.767 1.00 0.00 H new ATOM 0 HA GLU A 53 10.364 2.407 2.747 1.00 0.00 H new ATOM 0 HB2 GLU A 53 11.728 1.433 4.528 1.00 0.00 H new ATOM 0 HB3 GLU A 53 12.314 3.017 4.997 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.139 3.685 5.790 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.375 2.278 5.079 1.00 0.00 H new ATOM 836 N ARG A 54 9.389 4.673 3.066 1.00 0.00 N ATOM 837 CA ARG A 54 8.823 6.017 3.106 1.00 0.00 C ATOM 838 C ARG A 54 7.406 6.002 3.673 1.00 0.00 C ATOM 839 O ARG A 54 6.698 5.000 3.575 1.00 0.00 O ATOM 840 CB ARG A 54 8.811 6.630 1.704 1.00 0.00 C ATOM 841 CG ARG A 54 10.178 7.091 1.224 1.00 0.00 C ATOM 842 CD ARG A 54 10.254 7.123 -0.294 1.00 0.00 C ATOM 843 NE ARG A 54 10.951 8.312 -0.782 1.00 0.00 N ATOM 844 CZ ARG A 54 12.254 8.528 -0.616 1.00 0.00 C ATOM 845 NH1 ARG A 54 13.004 7.641 0.028 1.00 0.00 N ATOM 846 NH2 ARG A 54 12.808 9.634 -1.094 1.00 0.00 N ATOM 0 H ARG A 54 8.711 3.934 2.881 1.00 0.00 H new ATOM 0 HA ARG A 54 9.450 6.623 3.760 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.418 5.896 1.000 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.128 7.479 1.695 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.388 8.084 1.621 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.946 6.423 1.614 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.767 6.230 -0.650 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.246 7.098 -0.708 1.00 0.00 H new ATOM 0 HE ARG A 54 10.407 9.017 -1.279 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.582 6.789 0.398 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.002 7.811 0.152 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.236 10.318 -1.588 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.806 9.800 -0.967 1.00 0.00 H new ATOM 860 N PRO A 55 6.970 7.119 4.278 1.00 0.00 N ATOM 861 CA PRO A 55 5.633 7.229 4.855 1.00 0.00 C ATOM 862 C PRO A 55 4.575 7.512 3.793 1.00 0.00 C ATOM 863 O PRO A 55 4.616 8.544 3.124 1.00 0.00 O ATOM 864 CB PRO A 55 5.769 8.416 5.804 1.00 0.00 C ATOM 865 CG PRO A 55 6.797 9.286 5.166 1.00 0.00 C ATOM 866 CD PRO A 55 7.747 8.364 4.443 1.00 0.00 C ATOM 0 HA PRO A 55 5.310 6.308 5.341 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.821 8.941 5.921 1.00 0.00 H new ATOM 0 HB3 PRO A 55 6.081 8.096 6.798 1.00 0.00 H new ATOM 0 HG2 PRO A 55 6.335 9.989 4.473 1.00 0.00 H new ATOM 0 HG3 PRO A 55 7.324 9.877 5.915 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.051 8.777 3.481 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.657 8.195 5.019 1.00 0.00 H new ATOM 874 N VAL A 56 3.624 6.594 3.644 1.00 0.00 N ATOM 875 CA VAL A 56 2.557 6.760 2.661 1.00 0.00 C ATOM 876 C VAL A 56 1.262 7.214 3.332 1.00 0.00 C ATOM 877 O VAL A 56 0.795 6.613 4.309 1.00 0.00 O ATOM 878 CB VAL A 56 2.293 5.474 1.817 1.00 0.00 C ATOM 879 CG1 VAL A 56 3.157 4.296 2.271 1.00 0.00 C ATOM 880 CG2 VAL A 56 0.812 5.099 1.844 1.00 0.00 C ATOM 0 H VAL A 56 3.570 5.733 4.188 1.00 0.00 H new ATOM 0 HA VAL A 56 2.902 7.531 1.972 1.00 0.00 H new ATOM 0 HB VAL A 56 2.576 5.704 0.790 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.937 3.425 1.654 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.210 4.557 2.169 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.940 4.066 3.314 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.653 4.200 1.249 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.503 4.913 2.872 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.222 5.917 1.430 1.00 0.00 H new ATOM 890 N ALA A 57 0.682 8.276 2.786 1.00 0.00 N ATOM 891 CA ALA A 57 -0.559 8.829 3.304 1.00 0.00 C ATOM 892 C ALA A 57 -1.751 8.006 2.842 1.00 0.00 C ATOM 893 O ALA A 57 -1.751 7.455 1.739 1.00 0.00 O ATOM 894 CB ALA A 57 -0.709 10.267 2.847 1.00 0.00 C ATOM 0 H ALA A 57 1.057 8.773 1.978 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.526 8.799 4.393 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.640 10.678 3.237 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.130 10.856 3.217 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.725 10.303 1.758 1.00 0.00 H new ATOM 900 N ASP A 58 -2.771 7.918 3.687 1.00 0.00 N ATOM 901 CA ASP A 58 -3.956 7.148 3.349 1.00 0.00 C ATOM 902 C ASP A 58 -4.680 7.722 2.137 1.00 0.00 C ATOM 903 O ASP A 58 -5.578 7.086 1.589 1.00 0.00 O ATOM 904 CB ASP A 58 -4.925 7.072 4.526 1.00 0.00 C ATOM 905 CG ASP A 58 -4.232 6.735 5.831 1.00 0.00 C ATOM 906 OD1 ASP A 58 -4.485 5.637 6.371 1.00 0.00 O ATOM 907 OD2 ASP A 58 -3.437 7.568 6.313 1.00 0.00 O ATOM 0 H ASP A 58 -2.800 8.367 4.603 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.611 6.143 3.105 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.441 8.026 4.629 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.685 6.319 4.318 1.00 0.00 H new ATOM 912 N ASN A 59 -4.308 8.929 1.726 1.00 0.00 N ATOM 913 CA ASN A 59 -4.956 9.564 0.587 1.00 0.00 C ATOM 914 C ASN A 59 -4.148 9.399 -0.702 1.00 0.00 C ATOM 915 O ASN A 59 -4.388 10.109 -1.680 1.00 0.00 O ATOM 916 CB ASN A 59 -5.187 11.050 0.869 1.00 0.00 C ATOM 917 CG ASN A 59 -6.499 11.550 0.295 1.00 0.00 C ATOM 918 OD1 ASN A 59 -7.564 11.339 0.874 1.00 0.00 O ATOM 919 ND2 ASN A 59 -6.426 12.218 -0.852 1.00 0.00 N ATOM 0 H ASN A 59 -3.569 9.482 2.160 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.915 9.066 0.442 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -5.177 11.219 1.946 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.365 11.629 0.448 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -7.275 12.579 -1.287 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -5.521 12.370 -1.297 1.00 0.00 H new ATOM 926 N GLU A 60 -3.194 8.470 -0.709 1.00 0.00 N ATOM 927 CA GLU A 60 -2.371 8.238 -1.892 1.00 0.00 C ATOM 928 C GLU A 60 -2.992 7.174 -2.800 1.00 0.00 C ATOM 929 O GLU A 60 -3.298 6.068 -2.355 1.00 0.00 O ATOM 930 CB GLU A 60 -0.962 7.818 -1.476 1.00 0.00 C ATOM 931 CG GLU A 60 -0.242 8.855 -0.628 1.00 0.00 C ATOM 932 CD GLU A 60 1.255 8.872 -0.871 1.00 0.00 C ATOM 933 OE1 GLU A 60 1.691 8.364 -1.926 1.00 0.00 O ATOM 934 OE2 GLU A 60 1.991 9.391 -0.006 1.00 0.00 O ATOM 0 H GLU A 60 -2.973 7.870 0.086 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.316 9.170 -2.454 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.020 6.883 -0.919 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.372 7.620 -2.371 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.652 9.842 -0.842 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.433 8.653 0.426 1.00 0.00 H new ATOM 941 N ARG A 61 -3.174 7.519 -4.076 1.00 0.00 N ATOM 942 CA ARG A 61 -3.759 6.595 -5.050 1.00 0.00 C ATOM 943 C ARG A 61 -2.808 5.433 -5.330 1.00 0.00 C ATOM 944 O ARG A 61 -1.591 5.616 -5.363 1.00 0.00 O ATOM 945 CB ARG A 61 -4.093 7.334 -6.350 1.00 0.00 C ATOM 946 CG ARG A 61 -5.575 7.339 -6.689 1.00 0.00 C ATOM 947 CD ARG A 61 -6.204 8.698 -6.431 1.00 0.00 C ATOM 948 NE ARG A 61 -5.857 9.668 -7.467 1.00 0.00 N ATOM 949 CZ ARG A 61 -6.431 10.862 -7.588 1.00 0.00 C ATOM 950 NH1 ARG A 61 -7.383 11.237 -6.742 1.00 0.00 N ATOM 951 NH2 ARG A 61 -6.054 11.683 -8.559 1.00 0.00 N ATOM 0 H ARG A 61 -2.925 8.431 -4.459 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.680 6.191 -4.630 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.744 8.364 -6.272 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.544 6.873 -7.171 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.710 7.068 -7.736 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.087 6.582 -6.095 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.288 8.592 -6.382 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.876 9.071 -5.461 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.131 9.415 -8.138 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.678 10.608 -5.995 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.820 12.154 -6.839 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.324 11.399 -9.213 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.494 12.599 -8.652 1.00 0.00 H new ATOM 965 N MET A 62 -3.372 4.242 -5.545 1.00 0.00 N ATOM 966 CA MET A 62 -2.573 3.043 -5.824 1.00 0.00 C ATOM 967 C MET A 62 -1.327 3.397 -6.624 1.00 0.00 C ATOM 968 O MET A 62 -0.232 3.529 -6.075 1.00 0.00 O ATOM 969 CB MET A 62 -3.413 2.013 -6.585 1.00 0.00 C ATOM 970 CG MET A 62 -2.603 0.888 -7.219 1.00 0.00 C ATOM 971 SD MET A 62 -1.493 0.082 -6.051 1.00 0.00 S ATOM 972 CE MET A 62 -0.444 -0.848 -7.167 1.00 0.00 C ATOM 0 H MET A 62 -4.379 4.081 -5.532 1.00 0.00 H new ATOM 0 HA MET A 62 -2.259 2.612 -4.873 1.00 0.00 H new ATOM 0 HB2 MET A 62 -4.142 1.579 -5.901 1.00 0.00 H new ATOM 0 HB3 MET A 62 -3.975 2.525 -7.366 1.00 0.00 H new ATOM 0 HG2 MET A 62 -3.284 0.147 -7.636 1.00 0.00 H new ATOM 0 HG3 MET A 62 -2.021 1.289 -8.049 1.00 0.00 H new ATOM 0 HE1 MET A 62 0.320 -1.374 -6.595 1.00 0.00 H new ATOM 0 HE2 MET A 62 -1.048 -1.570 -7.717 1.00 0.00 H new ATOM 0 HE3 MET A 62 0.035 -0.166 -7.870 1.00 0.00 H new ATOM 982 N PHE A 63 -1.515 3.566 -7.920 1.00 0.00 N ATOM 983 CA PHE A 63 -0.415 3.919 -8.811 1.00 0.00 C ATOM 984 C PHE A 63 0.291 5.180 -8.332 1.00 0.00 C ATOM 985 O PHE A 63 1.504 5.321 -8.502 1.00 0.00 O ATOM 986 CB PHE A 63 -0.913 4.136 -10.243 1.00 0.00 C ATOM 987 CG PHE A 63 -1.992 3.183 -10.660 1.00 0.00 C ATOM 988 CD1 PHE A 63 -1.688 2.039 -11.378 1.00 0.00 C ATOM 989 CD2 PHE A 63 -3.309 3.434 -10.329 1.00 0.00 C ATOM 990 CE1 PHE A 63 -2.683 1.160 -11.758 1.00 0.00 C ATOM 991 CE2 PHE A 63 -4.310 2.559 -10.704 1.00 0.00 C ATOM 992 CZ PHE A 63 -3.996 1.419 -11.419 1.00 0.00 C ATOM 0 H PHE A 63 -2.418 3.465 -8.383 1.00 0.00 H new ATOM 0 HA PHE A 63 0.289 3.087 -8.800 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -1.286 5.156 -10.337 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -0.071 4.040 -10.929 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -0.662 1.832 -11.644 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -3.559 4.324 -9.771 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -2.434 0.271 -12.319 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.336 2.766 -10.439 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.776 0.732 -11.712 1.00 0.00 H new ATOM 1002 N ASP A 64 -0.462 6.096 -7.721 1.00 0.00 N ATOM 1003 CA ASP A 64 0.121 7.337 -7.233 1.00 0.00 C ATOM 1004 C ASP A 64 1.299 7.037 -6.325 1.00 0.00 C ATOM 1005 O ASP A 64 2.339 7.693 -6.390 1.00 0.00 O ATOM 1006 CB ASP A 64 -0.918 8.179 -6.491 1.00 0.00 C ATOM 1007 CG ASP A 64 -1.450 9.319 -7.339 1.00 0.00 C ATOM 1008 OD1 ASP A 64 -1.206 10.490 -6.979 1.00 0.00 O ATOM 1009 OD2 ASP A 64 -2.110 9.039 -8.361 1.00 0.00 O ATOM 0 H ASP A 64 -1.464 6.000 -7.556 1.00 0.00 H new ATOM 0 HA ASP A 64 0.469 7.911 -8.092 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.747 7.541 -6.184 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.472 8.583 -5.582 1.00 0.00 H new ATOM 1014 N VAL A 65 1.130 6.022 -5.493 1.00 0.00 N ATOM 1015 CA VAL A 65 2.174 5.600 -4.580 1.00 0.00 C ATOM 1016 C VAL A 65 3.206 4.756 -5.318 1.00 0.00 C ATOM 1017 O VAL A 65 4.366 4.686 -4.923 1.00 0.00 O ATOM 1018 CB VAL A 65 1.608 4.779 -3.401 1.00 0.00 C ATOM 1019 CG1 VAL A 65 2.604 4.737 -2.253 1.00 0.00 C ATOM 1020 CG2 VAL A 65 0.268 5.340 -2.934 1.00 0.00 C ATOM 0 H VAL A 65 0.272 5.473 -5.433 1.00 0.00 H new ATOM 0 HA VAL A 65 2.639 6.502 -4.182 1.00 0.00 H new ATOM 0 HB VAL A 65 1.440 3.760 -3.749 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.188 4.154 -1.431 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.531 4.275 -2.592 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.808 5.752 -1.911 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.107 4.742 -2.103 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.399 6.372 -2.609 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.447 5.307 -3.756 1.00 0.00 H new ATOM 1030 N LEU A 66 2.759 4.107 -6.391 1.00 0.00 N ATOM 1031 CA LEU A 66 3.621 3.246 -7.188 1.00 0.00 C ATOM 1032 C LEU A 66 4.559 4.050 -8.090 1.00 0.00 C ATOM 1033 O LEU A 66 5.529 3.511 -8.622 1.00 0.00 O ATOM 1034 CB LEU A 66 2.761 2.299 -8.027 1.00 0.00 C ATOM 1035 CG LEU A 66 3.014 0.811 -7.787 1.00 0.00 C ATOM 1036 CD1 LEU A 66 2.364 0.363 -6.486 1.00 0.00 C ATOM 1037 CD2 LEU A 66 2.491 -0.010 -8.955 1.00 0.00 C ATOM 0 H LEU A 66 1.798 4.164 -6.728 1.00 0.00 H new ATOM 0 HA LEU A 66 4.246 2.671 -6.505 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.711 2.511 -7.824 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.932 2.516 -9.081 1.00 0.00 H new ATOM 0 HG LEU A 66 4.089 0.651 -7.706 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.554 -0.699 -6.331 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.783 0.932 -5.656 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.289 0.535 -6.538 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.679 -1.068 -8.769 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.419 0.155 -9.064 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.000 0.294 -9.870 1.00 0.00 H new ATOM 1049 N GLN A 67 4.265 5.336 -8.266 1.00 0.00 N ATOM 1050 CA GLN A 67 5.089 6.192 -9.114 1.00 0.00 C ATOM 1051 C GLN A 67 6.301 6.745 -8.358 1.00 0.00 C ATOM 1052 O GLN A 67 7.264 7.202 -8.973 1.00 0.00 O ATOM 1053 CB GLN A 67 4.247 7.341 -9.685 1.00 0.00 C ATOM 1054 CG GLN A 67 4.169 8.566 -8.784 1.00 0.00 C ATOM 1055 CD GLN A 67 3.082 9.534 -9.206 1.00 0.00 C ATOM 1056 OE1 GLN A 67 1.896 9.206 -9.174 1.00 0.00 O ATOM 1057 NE2 GLN A 67 3.481 10.736 -9.606 1.00 0.00 N ATOM 0 H GLN A 67 3.468 5.805 -7.836 1.00 0.00 H new ATOM 0 HA GLN A 67 5.465 5.581 -9.934 1.00 0.00 H new ATOM 0 HB2 GLN A 67 4.663 7.638 -10.648 1.00 0.00 H new ATOM 0 HB3 GLN A 67 3.237 6.977 -9.873 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.987 8.246 -7.758 1.00 0.00 H new ATOM 0 HG3 GLN A 67 5.130 9.080 -8.792 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.475 10.966 -9.617 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.794 11.429 -9.902 1.00 0.00 H new ATOM 1066 N ARG A 68 6.246 6.717 -7.029 1.00 0.00 N ATOM 1067 CA ARG A 68 7.342 7.233 -6.215 1.00 0.00 C ATOM 1068 C ARG A 68 8.487 6.228 -6.106 1.00 0.00 C ATOM 1069 O ARG A 68 9.648 6.617 -5.971 1.00 0.00 O ATOM 1070 CB ARG A 68 6.839 7.604 -4.819 1.00 0.00 C ATOM 1071 CG ARG A 68 6.269 6.429 -4.043 1.00 0.00 C ATOM 1072 CD ARG A 68 6.791 6.395 -2.615 1.00 0.00 C ATOM 1073 NE ARG A 68 6.112 7.369 -1.761 1.00 0.00 N ATOM 1074 CZ ARG A 68 6.623 8.550 -1.416 1.00 0.00 C ATOM 1075 NH1 ARG A 68 7.822 8.922 -1.848 1.00 0.00 N ATOM 1076 NH2 ARG A 68 5.929 9.366 -0.635 1.00 0.00 N ATOM 0 H ARG A 68 5.460 6.345 -6.496 1.00 0.00 H new ATOM 0 HA ARG A 68 7.725 8.125 -6.710 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.661 8.039 -4.250 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.072 8.373 -4.911 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.181 6.493 -4.032 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.528 5.499 -4.548 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.656 5.395 -2.203 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.862 6.597 -2.615 1.00 0.00 H new ATOM 0 HE ARG A 68 5.186 7.128 -1.406 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.362 8.301 -2.451 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.203 9.829 -1.577 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.006 9.089 -0.300 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.318 10.271 -0.369 1.00 0.00 H new ATOM 1090 N PHE A 69 8.164 4.939 -6.164 1.00 0.00 N ATOM 1091 CA PHE A 69 9.184 3.899 -6.069 1.00 0.00 C ATOM 1092 C PHE A 69 10.115 3.943 -7.278 1.00 0.00 C ATOM 1093 O PHE A 69 11.293 3.601 -7.179 1.00 0.00 O ATOM 1094 CB PHE A 69 8.541 2.515 -5.963 1.00 0.00 C ATOM 1095 CG PHE A 69 7.606 2.364 -4.796 1.00 0.00 C ATOM 1096 CD1 PHE A 69 8.075 1.955 -3.558 1.00 0.00 C ATOM 1097 CD2 PHE A 69 6.258 2.623 -4.944 1.00 0.00 C ATOM 1098 CE1 PHE A 69 7.215 1.809 -2.484 1.00 0.00 C ATOM 1099 CE2 PHE A 69 5.391 2.481 -3.880 1.00 0.00 C ATOM 1100 CZ PHE A 69 5.867 2.074 -2.651 1.00 0.00 C ATOM 0 H PHE A 69 7.212 4.591 -6.275 1.00 0.00 H new ATOM 0 HA PHE A 69 9.767 4.086 -5.167 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.994 2.308 -6.883 1.00 0.00 H new ATOM 0 HB3 PHE A 69 9.328 1.765 -5.885 1.00 0.00 H new ATOM 0 HD1 PHE A 69 9.127 1.747 -3.430 1.00 0.00 H new ATOM 0 HD2 PHE A 69 5.878 2.940 -5.904 1.00 0.00 H new ATOM 0 HE1 PHE A 69 7.593 1.491 -1.523 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.339 2.689 -4.010 1.00 0.00 H new ATOM 0 HZ PHE A 69 5.188 1.962 -1.819 1.00 0.00 H new ATOM 1110 N GLY A 70 9.578 4.365 -8.418 1.00 0.00 N ATOM 1111 CA GLY A 70 10.374 4.445 -9.628 1.00 0.00 C ATOM 1112 C GLY A 70 9.953 3.425 -10.668 1.00 0.00 C ATOM 1113 O GLY A 70 8.806 3.423 -11.116 1.00 0.00 O ATOM 0 H GLY A 70 8.605 4.653 -8.525 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.288 5.446 -10.050 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.424 4.293 -9.379 1.00 0.00 H new ATOM 1117 N SER A 71 10.882 2.556 -11.052 1.00 0.00 N ATOM 1118 CA SER A 71 10.600 1.527 -12.046 1.00 0.00 C ATOM 1119 C SER A 71 10.529 0.149 -11.397 1.00 0.00 C ATOM 1120 O SER A 71 10.854 -0.861 -12.023 1.00 0.00 O ATOM 1121 CB SER A 71 11.673 1.535 -13.137 1.00 0.00 C ATOM 1122 OG SER A 71 11.109 1.265 -14.409 1.00 0.00 O ATOM 0 H SER A 71 11.836 2.544 -10.690 1.00 0.00 H new ATOM 0 HA SER A 71 9.632 1.747 -12.496 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.171 2.505 -13.155 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.435 0.790 -12.908 1.00 0.00 H new ATOM 0 HG SER A 71 11.815 1.277 -15.089 1.00 0.00 H new ATOM 1128 N GLN A 72 10.102 0.112 -10.139 1.00 0.00 N ATOM 1129 CA GLN A 72 9.989 -1.144 -9.407 1.00 0.00 C ATOM 1130 C GLN A 72 8.711 -1.174 -8.575 1.00 0.00 C ATOM 1131 O GLN A 72 8.727 -0.872 -7.381 1.00 0.00 O ATOM 1132 CB GLN A 72 11.208 -1.344 -8.504 1.00 0.00 C ATOM 1133 CG GLN A 72 12.195 -2.374 -9.034 1.00 0.00 C ATOM 1134 CD GLN A 72 13.525 -1.761 -9.425 1.00 0.00 C ATOM 1135 OE1 GLN A 72 13.983 -0.799 -8.808 1.00 0.00 O ATOM 1136 NE2 GLN A 72 14.153 -2.317 -10.453 1.00 0.00 N ATOM 0 H GLN A 72 9.829 0.937 -9.605 1.00 0.00 H new ATOM 0 HA GLN A 72 9.948 -1.957 -10.132 1.00 0.00 H new ATOM 0 HB2 GLN A 72 11.721 -0.390 -8.383 1.00 0.00 H new ATOM 0 HB3 GLN A 72 10.870 -1.652 -7.514 1.00 0.00 H new ATOM 0 HG2 GLN A 72 12.361 -3.137 -8.274 1.00 0.00 H new ATOM 0 HG3 GLN A 72 11.762 -2.875 -9.900 1.00 0.00 H new ATOM 0 HE21 GLN A 72 13.736 -3.113 -10.935 1.00 0.00 H new ATOM 0 HE22 GLN A 72 15.053 -1.948 -10.761 1.00 0.00 H new ATOM 1145 N ARG A 73 7.604 -1.543 -9.212 1.00 0.00 N ATOM 1146 CA ARG A 73 6.316 -1.615 -8.530 1.00 0.00 C ATOM 1147 C ARG A 73 6.157 -2.948 -7.805 1.00 0.00 C ATOM 1148 O ARG A 73 5.454 -3.037 -6.798 1.00 0.00 O ATOM 1149 CB ARG A 73 5.172 -1.426 -9.527 1.00 0.00 C ATOM 1150 CG ARG A 73 5.333 -2.240 -10.803 1.00 0.00 C ATOM 1151 CD ARG A 73 5.650 -1.353 -11.997 1.00 0.00 C ATOM 1152 NE ARG A 73 4.487 -1.164 -12.861 1.00 0.00 N ATOM 1153 CZ ARG A 73 4.070 -2.065 -13.749 1.00 0.00 C ATOM 1154 NH1 ARG A 73 4.716 -3.215 -13.892 1.00 0.00 N ATOM 1155 NH2 ARG A 73 3.004 -1.814 -14.496 1.00 0.00 N ATOM 0 H ARG A 73 7.573 -1.797 -10.199 1.00 0.00 H new ATOM 0 HA ARG A 73 6.281 -0.813 -7.793 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.233 -1.702 -9.046 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.099 -0.370 -9.787 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.130 -2.971 -10.670 1.00 0.00 H new ATOM 0 HG3 ARG A 73 4.417 -2.798 -10.997 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.002 -0.383 -11.645 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.462 -1.797 -12.573 1.00 0.00 H new ATOM 0 HE ARG A 73 3.964 -0.292 -12.779 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.537 -3.413 -13.320 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.392 -3.901 -14.574 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.504 -0.931 -14.391 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.684 -2.503 -15.176 1.00 0.00 H new ATOM 1169 N ASN A 74 6.814 -3.982 -8.321 1.00 0.00 N ATOM 1170 CA ASN A 74 6.744 -5.310 -7.719 1.00 0.00 C ATOM 1171 C ASN A 74 7.899 -5.532 -6.744 1.00 0.00 C ATOM 1172 O ASN A 74 8.245 -6.670 -6.426 1.00 0.00 O ATOM 1173 CB ASN A 74 6.764 -6.385 -8.806 1.00 0.00 C ATOM 1174 CG ASN A 74 5.459 -6.456 -9.573 1.00 0.00 C ATOM 1175 OD1 ASN A 74 5.028 -5.477 -10.182 1.00 0.00 O ATOM 1176 ND2 ASN A 74 4.820 -7.620 -9.548 1.00 0.00 N ATOM 0 H ASN A 74 7.400 -3.927 -9.154 1.00 0.00 H new ATOM 0 HA ASN A 74 5.809 -5.380 -7.164 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.579 -6.181 -9.500 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.968 -7.354 -8.351 1.00 0.00 H new ATOM 0 HD21 ASN A 74 3.937 -7.728 -10.046 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.213 -8.406 -9.031 1.00 0.00 H new ATOM 1183 N GLU A 75 8.492 -4.438 -6.274 1.00 0.00 N ATOM 1184 CA GLU A 75 9.607 -4.508 -5.335 1.00 0.00 C ATOM 1185 C GLU A 75 9.257 -3.842 -4.005 1.00 0.00 C ATOM 1186 O GLU A 75 10.018 -3.930 -3.042 1.00 0.00 O ATOM 1187 CB GLU A 75 10.838 -3.816 -5.926 1.00 0.00 C ATOM 1188 CG GLU A 75 12.154 -4.458 -5.518 1.00 0.00 C ATOM 1189 CD GLU A 75 12.390 -5.788 -6.205 1.00 0.00 C ATOM 1190 OE1 GLU A 75 13.562 -6.107 -6.495 1.00 0.00 O ATOM 1191 OE2 GLU A 75 11.403 -6.512 -6.452 1.00 0.00 O ATOM 0 H GLU A 75 8.218 -3.489 -6.529 1.00 0.00 H new ATOM 0 HA GLU A 75 9.820 -5.562 -5.156 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.762 -3.824 -7.013 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.841 -2.771 -5.614 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.974 -3.780 -5.755 1.00 0.00 H new ATOM 0 HG3 GLU A 75 12.163 -4.604 -4.438 1.00 0.00 H new ATOM 1198 N VAL A 76 8.116 -3.157 -3.967 1.00 0.00 N ATOM 1199 CA VAL A 76 7.677 -2.444 -2.767 1.00 0.00 C ATOM 1200 C VAL A 76 6.750 -3.289 -1.901 1.00 0.00 C ATOM 1201 O VAL A 76 6.151 -4.262 -2.359 1.00 0.00 O ATOM 1202 CB VAL A 76 6.973 -1.107 -3.123 1.00 0.00 C ATOM 1203 CG1 VAL A 76 6.649 -1.028 -4.609 1.00 0.00 C ATOM 1204 CG2 VAL A 76 5.713 -0.879 -2.281 1.00 0.00 C ATOM 0 H VAL A 76 7.475 -3.080 -4.757 1.00 0.00 H new ATOM 0 HA VAL A 76 8.581 -2.230 -2.196 1.00 0.00 H new ATOM 0 HB VAL A 76 7.676 -0.309 -2.885 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.157 -0.080 -4.824 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.571 -1.098 -5.187 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.987 -1.850 -4.881 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.253 0.068 -2.564 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.007 -1.691 -2.455 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.981 -0.851 -1.225 1.00 0.00 H new ATOM 1214 N ARG A 77 6.622 -2.868 -0.651 1.00 0.00 N ATOM 1215 CA ARG A 77 5.755 -3.519 0.315 1.00 0.00 C ATOM 1216 C ARG A 77 4.871 -2.472 0.976 1.00 0.00 C ATOM 1217 O ARG A 77 5.332 -1.377 1.295 1.00 0.00 O ATOM 1218 CB ARG A 77 6.584 -4.254 1.369 1.00 0.00 C ATOM 1219 CG ARG A 77 7.192 -5.554 0.866 1.00 0.00 C ATOM 1220 CD ARG A 77 8.698 -5.587 1.077 1.00 0.00 C ATOM 1221 NE ARG A 77 9.362 -6.484 0.133 1.00 0.00 N ATOM 1222 CZ ARG A 77 10.683 -6.607 0.031 1.00 0.00 C ATOM 1223 NH1 ARG A 77 11.486 -5.895 0.812 1.00 0.00 N ATOM 1224 NH2 ARG A 77 11.203 -7.446 -0.854 1.00 0.00 N ATOM 0 H ARG A 77 7.121 -2.060 -0.278 1.00 0.00 H new ATOM 0 HA ARG A 77 5.131 -4.252 -0.197 1.00 0.00 H new ATOM 0 HB2 ARG A 77 7.383 -3.598 1.713 1.00 0.00 H new ATOM 0 HB3 ARG A 77 5.953 -4.467 2.232 1.00 0.00 H new ATOM 0 HG2 ARG A 77 6.733 -6.396 1.385 1.00 0.00 H new ATOM 0 HG3 ARG A 77 6.970 -5.674 -0.194 1.00 0.00 H new ATOM 0 HD2 ARG A 77 9.102 -4.581 0.967 1.00 0.00 H new ATOM 0 HD3 ARG A 77 8.915 -5.908 2.096 1.00 0.00 H new ATOM 0 HE ARG A 77 8.778 -7.049 -0.484 1.00 0.00 H new ATOM 0 HH11 ARG A 77 11.091 -5.249 1.495 1.00 0.00 H new ATOM 0 HH12 ARG A 77 12.498 -5.994 0.729 1.00 0.00 H new ATOM 0 HH21 ARG A 77 10.591 -7.996 -1.456 1.00 0.00 H new ATOM 0 HH22 ARG A 77 12.215 -7.541 -0.933 1.00 0.00 H new ATOM 1238 N PHE A 78 3.605 -2.812 1.182 1.00 0.00 N ATOM 1239 CA PHE A 78 2.667 -1.908 1.826 1.00 0.00 C ATOM 1240 C PHE A 78 2.407 -2.422 3.231 1.00 0.00 C ATOM 1241 O PHE A 78 2.279 -3.623 3.427 1.00 0.00 O ATOM 1242 CB PHE A 78 1.361 -1.817 1.030 1.00 0.00 C ATOM 1243 CG PHE A 78 1.470 -0.983 -0.215 1.00 0.00 C ATOM 1244 CD1 PHE A 78 0.582 0.055 -0.447 1.00 0.00 C ATOM 1245 CD2 PHE A 78 2.459 -1.237 -1.152 1.00 0.00 C ATOM 1246 CE1 PHE A 78 0.678 0.824 -1.592 1.00 0.00 C ATOM 1247 CE2 PHE A 78 2.559 -0.471 -2.298 1.00 0.00 C ATOM 1248 CZ PHE A 78 1.668 0.561 -2.518 1.00 0.00 C ATOM 0 H PHE A 78 3.205 -3.710 0.911 1.00 0.00 H new ATOM 0 HA PHE A 78 3.088 -0.904 1.868 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.042 -2.823 0.756 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.584 -1.399 1.670 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.194 0.266 0.274 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.159 -2.042 -0.985 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.021 1.630 -1.762 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.334 -0.679 -3.021 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.745 1.161 -3.413 1.00 0.00 H new ATOM 1258 N PHE A 79 2.389 -1.533 4.214 1.00 0.00 N ATOM 1259 CA PHE A 79 2.197 -1.960 5.603 1.00 0.00 C ATOM 1260 C PHE A 79 1.334 -0.976 6.382 1.00 0.00 C ATOM 1261 O PHE A 79 1.380 0.230 6.144 1.00 0.00 O ATOM 1262 CB PHE A 79 3.564 -2.134 6.280 1.00 0.00 C ATOM 1263 CG PHE A 79 4.701 -2.081 5.298 1.00 0.00 C ATOM 1264 CD1 PHE A 79 5.510 -3.180 5.070 1.00 0.00 C ATOM 1265 CD2 PHE A 79 4.931 -0.924 4.580 1.00 0.00 C ATOM 1266 CE1 PHE A 79 6.529 -3.122 4.140 1.00 0.00 C ATOM 1267 CE2 PHE A 79 5.943 -0.854 3.650 1.00 0.00 C ATOM 1268 CZ PHE A 79 6.743 -1.961 3.429 1.00 0.00 C ATOM 0 H PHE A 79 2.502 -0.527 4.085 1.00 0.00 H new ATOM 0 HA PHE A 79 1.670 -2.914 5.597 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.698 -1.353 7.029 1.00 0.00 H new ATOM 0 HB3 PHE A 79 3.587 -3.088 6.807 1.00 0.00 H new ATOM 0 HD1 PHE A 79 5.343 -4.092 5.625 1.00 0.00 H new ATOM 0 HD2 PHE A 79 4.306 -0.060 4.751 1.00 0.00 H new ATOM 0 HE1 PHE A 79 7.157 -3.984 3.970 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.111 0.058 3.097 1.00 0.00 H new ATOM 0 HZ PHE A 79 7.537 -1.915 2.698 1.00 0.00 H new ATOM 1278 N LEU A 80 0.541 -1.499 7.317 1.00 0.00 N ATOM 1279 CA LEU A 80 -0.334 -0.653 8.123 1.00 0.00 C ATOM 1280 C LEU A 80 0.352 -0.234 9.420 1.00 0.00 C ATOM 1281 O LEU A 80 0.710 -1.075 10.245 1.00 0.00 O ATOM 1282 CB LEU A 80 -1.636 -1.390 8.437 1.00 0.00 C ATOM 1283 CG LEU A 80 -2.915 -0.587 8.186 1.00 0.00 C ATOM 1284 CD1 LEU A 80 -3.009 0.588 9.147 1.00 0.00 C ATOM 1285 CD2 LEU A 80 -2.973 -0.110 6.741 1.00 0.00 C ATOM 0 H LEU A 80 0.487 -2.495 7.533 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.559 0.246 7.548 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.674 -2.300 7.838 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.618 -1.697 9.483 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.770 -1.239 8.364 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.925 1.145 8.952 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.020 0.219 10.173 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.149 1.243 9.006 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.889 0.459 6.582 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.111 0.524 6.532 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.960 -0.971 6.073 1.00 0.00 H new ATOM 1297 N ARG A 81 0.530 1.073 9.593 1.00 0.00 N ATOM 1298 CA ARG A 81 1.171 1.606 10.788 1.00 0.00 C ATOM 1299 C ARG A 81 0.164 2.343 11.666 1.00 0.00 C ATOM 1300 O ARG A 81 -0.715 3.044 11.165 1.00 0.00 O ATOM 1301 CB ARG A 81 2.314 2.548 10.402 1.00 0.00 C ATOM 1302 CG ARG A 81 3.573 1.824 9.957 1.00 0.00 C ATOM 1303 CD ARG A 81 4.368 1.311 11.146 1.00 0.00 C ATOM 1304 NE ARG A 81 5.550 0.559 10.730 1.00 0.00 N ATOM 1305 CZ ARG A 81 6.493 0.137 11.570 1.00 0.00 C ATOM 1306 NH1 ARG A 81 6.397 0.393 12.869 1.00 0.00 N ATOM 1307 NH2 ARG A 81 7.535 -0.541 11.109 1.00 0.00 N ATOM 0 H ARG A 81 0.239 1.781 8.920 1.00 0.00 H new ATOM 0 HA ARG A 81 1.575 0.768 11.356 1.00 0.00 H new ATOM 0 HB2 ARG A 81 1.978 3.203 9.598 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.553 3.185 11.254 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.305 0.989 9.309 1.00 0.00 H new ATOM 0 HG3 ARG A 81 4.193 2.499 9.367 1.00 0.00 H new ATOM 0 HD2 ARG A 81 4.674 2.152 11.768 1.00 0.00 H new ATOM 0 HD3 ARG A 81 3.731 0.675 11.761 1.00 0.00 H new ATOM 0 HE ARG A 81 5.659 0.345 9.739 1.00 0.00 H new ATOM 0 HH11 ARG A 81 5.598 0.915 13.228 1.00 0.00 H new ATOM 0 HH12 ARG A 81 7.122 0.067 13.508 1.00 0.00 H new ATOM 0 HH21 ARG A 81 7.614 -0.739 10.112 1.00 0.00 H new ATOM 0 HH22 ARG A 81 8.258 -0.865 11.752 1.00 0.00 H new