USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 454 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 135 HIS :FLIP no HE2:sc= -1.71 F(o=-4.8,f=-2.5) USER MOD Set 1.2: A 159 ASN : amide:sc= -0.827 K(o=-2.5,f=-3.7) USER MOD Set 2.1: A 142 SER OG : rot -67:sc= 1.26 USER MOD Set 2.2: A 151 THR OG1 : rot -151:sc= 1.89 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 120:sc= -0.809 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -2.22 K(o=-2.2,f=-6.3!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.31 USER MOD Single : A 139 SER OG : rot 173:sc= -0.65 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 145 SER OG : rot -16:sc= 0.689 USER MOD Single : A 146 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 148 GLN : amide:sc= -0.959 K(o=-0.96,f=-5!) USER MOD Single : A 150 SER OG : rot 57:sc= -0.299! USER MOD Single : A 153 LYS NZ :NH3+ -133:sc= 0.0869 (180deg=-0.458) USER MOD Single : A 155 HIS : no HD1:sc= -0.408 K(o=-0.41,f=-1.1) USER MOD Single : A 157 GLN : amide:sc= -0.758 K(o=-0.76,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 103 N ILE A 98 13.566 2.915 -5.241 1.00 0.00 N ATOM 104 CA ILE A 98 12.314 3.075 -4.522 1.00 0.00 C ATOM 105 C ILE A 98 11.309 2.004 -4.920 1.00 0.00 C ATOM 106 O ILE A 98 11.299 1.531 -6.057 1.00 0.00 O ATOM 107 CB ILE A 98 11.680 4.471 -4.742 1.00 0.00 C ATOM 108 CG1 ILE A 98 11.636 4.839 -6.230 1.00 0.00 C ATOM 109 CG2 ILE A 98 12.429 5.535 -3.953 1.00 0.00 C ATOM 110 CD1 ILE A 98 10.581 4.101 -7.026 1.00 0.00 C ATOM 0 HA ILE A 98 12.559 2.972 -3.465 1.00 0.00 H new ATOM 0 HB ILE A 98 10.654 4.426 -4.378 1.00 0.00 H new ATOM 0 HG12 ILE A 98 11.459 5.911 -6.322 1.00 0.00 H new ATOM 0 HG13 ILE A 98 12.613 4.638 -6.670 1.00 0.00 H new ATOM 0 HG21 ILE A 98 11.966 6.507 -4.123 1.00 0.00 H new ATOM 0 HG22 ILE A 98 12.390 5.295 -2.890 1.00 0.00 H new ATOM 0 HG23 ILE A 98 13.468 5.566 -4.280 1.00 0.00 H new ATOM 0 HD11 ILE A 98 10.620 4.422 -8.067 1.00 0.00 H new ATOM 0 HD12 ILE A 98 10.767 3.028 -6.970 1.00 0.00 H new ATOM 0 HD13 ILE A 98 9.595 4.321 -6.615 1.00 0.00 H new ATOM 122 N CYS A 99 10.468 1.629 -3.971 1.00 0.00 N ATOM 123 CA CYS A 99 9.448 0.621 -4.209 1.00 0.00 C ATOM 124 C CYS A 99 8.460 1.118 -5.257 1.00 0.00 C ATOM 125 O CYS A 99 8.256 2.324 -5.396 1.00 0.00 O ATOM 126 CB CYS A 99 8.719 0.292 -2.909 1.00 0.00 C ATOM 127 SG CYS A 99 8.635 -1.487 -2.538 1.00 0.00 S ATOM 0 H CYS A 99 10.472 2.009 -3.025 1.00 0.00 H new ATOM 0 HA CYS A 99 9.927 -0.286 -4.579 1.00 0.00 H new ATOM 0 HB2 CYS A 99 9.219 0.801 -2.085 1.00 0.00 H new ATOM 0 HB3 CYS A 99 7.706 0.690 -2.962 1.00 0.00 H new ATOM 132 N SER A 100 7.858 0.189 -5.998 1.00 0.00 N ATOM 133 CA SER A 100 6.899 0.545 -7.041 1.00 0.00 C ATOM 134 C SER A 100 5.997 1.692 -6.591 1.00 0.00 C ATOM 135 O SER A 100 5.163 1.531 -5.700 1.00 0.00 O ATOM 136 CB SER A 100 6.048 -0.670 -7.416 1.00 0.00 C ATOM 137 OG SER A 100 5.115 -0.346 -8.432 1.00 0.00 O ATOM 0 H SER A 100 8.017 -0.813 -5.895 1.00 0.00 H new ATOM 0 HA SER A 100 7.461 0.873 -7.916 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.694 -1.479 -7.756 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.519 -1.033 -6.535 1.00 0.00 H new ATOM 0 HG SER A 100 4.585 -1.140 -8.654 1.00 0.00 H new ATOM 143 N LYS A 101 6.177 2.849 -7.218 1.00 0.00 N ATOM 144 CA LYS A 101 5.390 4.032 -6.894 1.00 0.00 C ATOM 145 C LYS A 101 3.914 3.808 -7.205 1.00 0.00 C ATOM 146 O LYS A 101 3.045 4.477 -6.647 1.00 0.00 O ATOM 147 CB LYS A 101 5.924 5.246 -7.655 1.00 0.00 C ATOM 148 CG LYS A 101 7.330 5.647 -7.234 1.00 0.00 C ATOM 149 CD LYS A 101 7.862 6.806 -8.063 1.00 0.00 C ATOM 150 CE LYS A 101 8.021 6.422 -9.526 1.00 0.00 C ATOM 151 NZ LYS A 101 8.591 7.535 -10.334 1.00 0.00 N ATOM 0 H LYS A 101 6.865 2.993 -7.957 1.00 0.00 H new ATOM 0 HA LYS A 101 5.481 4.223 -5.825 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.920 5.028 -8.723 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.251 6.089 -7.499 1.00 0.00 H new ATOM 0 HG2 LYS A 101 7.328 5.926 -6.180 1.00 0.00 H new ATOM 0 HG3 LYS A 101 7.997 4.791 -7.336 1.00 0.00 H new ATOM 0 HD2 LYS A 101 7.183 7.655 -7.981 1.00 0.00 H new ATOM 0 HD3 LYS A 101 8.824 7.128 -7.664 1.00 0.00 H new ATOM 0 HE2 LYS A 101 8.669 5.549 -9.604 1.00 0.00 H new ATOM 0 HE3 LYS A 101 7.051 6.137 -9.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 8.683 7.233 -11.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 7.961 8.361 -10.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 9.528 7.790 -9.961 1.00 0.00 H new ATOM 165 N SER A 102 3.639 2.860 -8.093 1.00 0.00 N ATOM 166 CA SER A 102 2.267 2.540 -8.473 1.00 0.00 C ATOM 167 C SER A 102 1.421 2.244 -7.237 1.00 0.00 C ATOM 168 O SER A 102 0.222 2.522 -7.213 1.00 0.00 O ATOM 169 CB SER A 102 2.244 1.342 -9.423 1.00 0.00 C ATOM 170 OG SER A 102 0.919 1.029 -9.817 1.00 0.00 O ATOM 0 H SER A 102 4.348 2.299 -8.564 1.00 0.00 H new ATOM 0 HA SER A 102 1.844 3.404 -8.985 1.00 0.00 H new ATOM 0 HB2 SER A 102 2.847 1.561 -10.304 1.00 0.00 H new ATOM 0 HB3 SER A 102 2.695 0.478 -8.935 1.00 0.00 H new ATOM 0 HG SER A 102 0.931 0.261 -10.425 1.00 0.00 H new ATOM 176 N TYR A 103 2.057 1.677 -6.212 1.00 0.00 N ATOM 177 CA TYR A 103 1.371 1.341 -4.966 1.00 0.00 C ATOM 178 C TYR A 103 1.120 2.581 -4.110 1.00 0.00 C ATOM 179 O TYR A 103 1.346 2.566 -2.899 1.00 0.00 O ATOM 180 CB TYR A 103 2.181 0.318 -4.165 1.00 0.00 C ATOM 181 CG TYR A 103 2.148 -1.081 -4.737 1.00 0.00 C ATOM 182 CD1 TYR A 103 2.443 -1.322 -6.073 1.00 0.00 C ATOM 183 CD2 TYR A 103 1.821 -2.165 -3.932 1.00 0.00 C ATOM 184 CE1 TYR A 103 2.412 -2.604 -6.590 1.00 0.00 C ATOM 185 CE2 TYR A 103 1.789 -3.448 -4.440 1.00 0.00 C ATOM 186 CZ TYR A 103 2.084 -3.662 -5.770 1.00 0.00 C ATOM 187 OH TYR A 103 2.052 -4.940 -6.281 1.00 0.00 O ATOM 0 H TYR A 103 3.049 1.440 -6.221 1.00 0.00 H new ATOM 0 HA TYR A 103 0.407 0.909 -5.233 1.00 0.00 H new ATOM 0 HB2 TYR A 103 3.217 0.653 -4.112 1.00 0.00 H new ATOM 0 HB3 TYR A 103 1.802 0.290 -3.143 1.00 0.00 H new ATOM 0 HD1 TYR A 103 2.701 -0.495 -6.718 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.588 -2.001 -2.890 1.00 0.00 H new ATOM 0 HE1 TYR A 103 2.644 -2.775 -7.631 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.534 -4.280 -3.800 1.00 0.00 H new ATOM 0 HH TYR A 103 2.697 -5.501 -5.801 1.00 0.00 H new ATOM 197 N LEU A 104 0.645 3.649 -4.739 1.00 0.00 N ATOM 198 CA LEU A 104 0.357 4.890 -4.031 1.00 0.00 C ATOM 199 C LEU A 104 -1.015 5.426 -4.421 1.00 0.00 C ATOM 200 O LEU A 104 -1.743 5.964 -3.588 1.00 0.00 O ATOM 201 CB LEU A 104 1.438 5.935 -4.320 1.00 0.00 C ATOM 202 CG LEU A 104 2.842 5.568 -3.828 1.00 0.00 C ATOM 203 CD1 LEU A 104 3.838 6.656 -4.201 1.00 0.00 C ATOM 204 CD2 LEU A 104 2.840 5.341 -2.324 1.00 0.00 C ATOM 0 H LEU A 104 0.451 3.680 -5.740 1.00 0.00 H new ATOM 0 HA LEU A 104 0.353 4.680 -2.961 1.00 0.00 H new ATOM 0 HB2 LEU A 104 1.479 6.105 -5.396 1.00 0.00 H new ATOM 0 HB3 LEU A 104 1.143 6.878 -3.859 1.00 0.00 H new ATOM 0 HG LEU A 104 3.145 4.641 -4.315 1.00 0.00 H new ATOM 0 HD11 LEU A 104 4.830 6.379 -3.844 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.862 6.772 -5.285 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.537 7.598 -3.742 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.846 5.081 -1.994 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.516 6.251 -1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.157 4.528 -2.080 1.00 0.00 H new ATOM 216 N THR A 105 -1.364 5.269 -5.694 1.00 0.00 N ATOM 217 CA THR A 105 -2.653 5.730 -6.195 1.00 0.00 C ATOM 218 C THR A 105 -3.695 4.617 -6.127 1.00 0.00 C ATOM 219 O THR A 105 -3.438 3.486 -6.542 1.00 0.00 O ATOM 220 CB THR A 105 -2.546 6.233 -7.647 1.00 0.00 C ATOM 221 OG1 THR A 105 -3.834 6.639 -8.123 1.00 0.00 O ATOM 222 CG2 THR A 105 -1.983 5.150 -8.558 1.00 0.00 C ATOM 0 H THR A 105 -0.772 4.826 -6.397 1.00 0.00 H new ATOM 0 HA THR A 105 -2.965 6.557 -5.557 1.00 0.00 H new ATOM 0 HB THR A 105 -1.868 7.086 -7.661 1.00 0.00 H new ATOM 0 HG1 THR A 105 -3.756 6.959 -9.046 1.00 0.00 H new ATOM 0 HG21 THR A 105 -1.917 5.530 -9.578 1.00 0.00 H new ATOM 0 HG22 THR A 105 -0.989 4.864 -8.213 1.00 0.00 H new ATOM 0 HG23 THR A 105 -2.639 4.280 -8.537 1.00 0.00 H new ATOM 230 N LEU A 106 -4.873 4.945 -5.606 1.00 0.00 N ATOM 231 CA LEU A 106 -5.953 3.972 -5.489 1.00 0.00 C ATOM 232 C LEU A 106 -7.306 4.646 -5.699 1.00 0.00 C ATOM 233 O LEU A 106 -7.633 5.629 -5.033 1.00 0.00 O ATOM 234 CB LEU A 106 -5.902 3.284 -4.121 1.00 0.00 C ATOM 235 CG LEU A 106 -6.930 2.169 -3.911 1.00 0.00 C ATOM 236 CD1 LEU A 106 -6.810 1.115 -5.003 1.00 0.00 C ATOM 237 CD2 LEU A 106 -6.751 1.537 -2.539 1.00 0.00 C ATOM 0 H LEU A 106 -5.104 5.876 -5.259 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.824 3.215 -6.263 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.905 2.868 -3.979 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.046 4.039 -3.348 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.927 2.605 -3.966 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.549 0.332 -4.835 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.984 1.577 -5.975 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.810 0.681 -4.982 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.489 0.746 -2.404 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -5.749 1.116 -2.460 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -6.887 2.296 -1.768 1.00 0.00 H new ATOM 249 N GLU A 107 -8.081 4.121 -6.645 1.00 0.00 N ATOM 250 CA GLU A 107 -9.392 4.678 -6.965 1.00 0.00 C ATOM 251 C GLU A 107 -10.477 4.176 -6.013 1.00 0.00 C ATOM 252 O GLU A 107 -11.570 3.812 -6.447 1.00 0.00 O ATOM 253 CB GLU A 107 -9.764 4.340 -8.410 1.00 0.00 C ATOM 254 CG GLU A 107 -9.757 2.850 -8.709 1.00 0.00 C ATOM 255 CD GLU A 107 -10.076 2.543 -10.159 1.00 0.00 C ATOM 256 OE1 GLU A 107 -9.323 3.005 -11.042 1.00 0.00 O ATOM 257 OE2 GLU A 107 -11.079 1.842 -10.411 1.00 0.00 O ATOM 0 H GLU A 107 -7.822 3.308 -7.205 1.00 0.00 H new ATOM 0 HA GLU A 107 -9.328 5.760 -6.846 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -10.755 4.740 -8.624 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.067 4.840 -9.082 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.778 2.438 -8.461 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -10.484 2.351 -8.068 1.00 0.00 H new ATOM 264 N ASN A 108 -10.177 4.174 -4.716 1.00 0.00 N ATOM 265 CA ASN A 108 -11.137 3.731 -3.709 1.00 0.00 C ATOM 266 C ASN A 108 -10.547 3.815 -2.303 1.00 0.00 C ATOM 267 O ASN A 108 -10.833 2.973 -1.451 1.00 0.00 O ATOM 268 CB ASN A 108 -11.596 2.298 -3.993 1.00 0.00 C ATOM 269 CG ASN A 108 -10.440 1.321 -4.072 1.00 0.00 C ATOM 270 OD1 ASN A 108 -9.686 1.155 -3.114 1.00 0.00 O ATOM 271 ND2 ASN A 108 -10.295 0.666 -5.218 1.00 0.00 N ATOM 0 H ASN A 108 -9.278 4.474 -4.339 1.00 0.00 H new ATOM 0 HA ASN A 108 -11.997 4.398 -3.762 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -12.284 1.979 -3.210 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -12.150 2.277 -4.932 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -9.535 -0.005 -5.329 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -10.943 0.834 -5.987 1.00 0.00 H new ATOM 278 N GLY A 109 -9.732 4.837 -2.063 1.00 0.00 N ATOM 279 CA GLY A 109 -9.129 5.007 -0.754 1.00 0.00 C ATOM 280 C GLY A 109 -7.868 5.843 -0.789 1.00 0.00 C ATOM 281 O GLY A 109 -7.672 6.655 -1.693 1.00 0.00 O ATOM 0 H GLY A 109 -9.479 5.548 -2.749 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -9.851 5.476 -0.085 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.897 4.027 -0.336 1.00 0.00 H new ATOM 285 N LYS A 110 -7.011 5.633 0.202 1.00 0.00 N ATOM 286 CA LYS A 110 -5.752 6.362 0.300 1.00 0.00 C ATOM 287 C LYS A 110 -4.639 5.450 0.804 1.00 0.00 C ATOM 288 O LYS A 110 -4.889 4.502 1.549 1.00 0.00 O ATOM 289 CB LYS A 110 -5.898 7.568 1.225 1.00 0.00 C ATOM 290 CG LYS A 110 -4.634 8.406 1.340 1.00 0.00 C ATOM 291 CD LYS A 110 -4.190 8.934 -0.015 1.00 0.00 C ATOM 292 CE LYS A 110 -2.920 9.761 0.095 1.00 0.00 C ATOM 293 NZ LYS A 110 -2.447 10.232 -1.234 1.00 0.00 N ATOM 0 H LYS A 110 -7.166 4.960 0.953 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.489 6.716 -0.697 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -6.709 8.198 0.861 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -6.185 7.221 2.218 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -4.811 9.242 2.017 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -3.836 7.805 1.777 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -4.023 8.098 -0.695 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -4.985 9.542 -0.447 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -3.101 10.620 0.741 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -2.139 9.166 0.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -1.579 10.792 -1.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.249 9.412 -1.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -3.182 10.822 -1.675 1.00 0.00 H new ATOM 307 N VAL A 111 -3.413 5.743 0.389 1.00 0.00 N ATOM 308 CA VAL A 111 -2.261 4.947 0.795 1.00 0.00 C ATOM 309 C VAL A 111 -1.402 5.687 1.817 1.00 0.00 C ATOM 310 O VAL A 111 -0.954 6.807 1.575 1.00 0.00 O ATOM 311 CB VAL A 111 -1.388 4.570 -0.418 1.00 0.00 C ATOM 312 CG1 VAL A 111 -0.169 3.774 0.023 1.00 0.00 C ATOM 313 CG2 VAL A 111 -2.202 3.788 -1.437 1.00 0.00 C ATOM 0 H VAL A 111 -3.191 6.525 -0.227 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.653 4.039 1.253 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.040 5.489 -0.890 1.00 0.00 H new ATOM 0 HG11 VAL A 111 0.433 3.518 -0.849 1.00 0.00 H new ATOM 0 HG12 VAL A 111 0.426 4.372 0.713 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -0.492 2.860 0.522 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -1.570 3.530 -2.287 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -2.581 2.876 -0.977 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -3.039 4.397 -1.779 1.00 0.00 H new ATOM 323 N PHE A 112 -1.168 5.041 2.957 1.00 0.00 N ATOM 324 CA PHE A 112 -0.355 5.620 4.021 1.00 0.00 C ATOM 325 C PHE A 112 1.126 5.341 3.777 1.00 0.00 C ATOM 326 O PHE A 112 1.714 4.459 4.405 1.00 0.00 O ATOM 327 CB PHE A 112 -0.784 5.070 5.385 1.00 0.00 C ATOM 328 CG PHE A 112 -2.117 5.586 5.858 1.00 0.00 C ATOM 329 CD1 PHE A 112 -3.185 5.716 4.981 1.00 0.00 C ATOM 330 CD2 PHE A 112 -2.300 5.948 7.184 1.00 0.00 C ATOM 331 CE1 PHE A 112 -4.406 6.193 5.417 1.00 0.00 C ATOM 332 CE2 PHE A 112 -3.520 6.425 7.626 1.00 0.00 C ATOM 333 CZ PHE A 112 -4.574 6.548 6.741 1.00 0.00 C ATOM 0 H PHE A 112 -1.532 4.112 3.167 1.00 0.00 H new ATOM 0 HA PHE A 112 -0.508 6.699 4.020 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -0.825 3.982 5.331 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -0.024 5.324 6.124 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -3.060 5.441 3.944 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -1.479 5.856 7.880 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -5.228 6.288 4.723 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -3.649 6.701 8.662 1.00 0.00 H new ATOM 0 HZ PHE A 112 -5.528 6.921 7.084 1.00 0.00 H new ATOM 343 N LEU A 113 1.712 6.093 2.849 1.00 0.00 N ATOM 344 CA LEU A 113 3.120 5.936 2.493 1.00 0.00 C ATOM 345 C LEU A 113 4.020 6.053 3.721 1.00 0.00 C ATOM 346 O LEU A 113 3.779 6.872 4.609 1.00 0.00 O ATOM 347 CB LEU A 113 3.505 6.984 1.435 1.00 0.00 C ATOM 348 CG LEU A 113 4.918 6.865 0.839 1.00 0.00 C ATOM 349 CD1 LEU A 113 5.973 7.325 1.833 1.00 0.00 C ATOM 350 CD2 LEU A 113 5.193 5.436 0.392 1.00 0.00 C ATOM 0 H LEU A 113 1.229 6.823 2.326 1.00 0.00 H new ATOM 0 HA LEU A 113 3.263 4.938 2.078 1.00 0.00 H new ATOM 0 HB2 LEU A 113 2.784 6.927 0.619 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.404 7.973 1.881 1.00 0.00 H new ATOM 0 HG LEU A 113 4.970 7.517 -0.033 1.00 0.00 H new ATOM 0 HD11 LEU A 113 6.962 7.230 1.384 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.794 8.367 2.098 1.00 0.00 H new ATOM 0 HD13 LEU A 113 5.921 6.708 2.730 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.197 5.373 -0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.114 4.765 1.248 1.00 0.00 H new ATOM 0 HD23 LEU A 113 4.465 5.145 -0.366 1.00 0.00 H new ATOM 362 N THR A 114 5.063 5.225 3.757 1.00 0.00 N ATOM 363 CA THR A 114 6.012 5.222 4.864 1.00 0.00 C ATOM 364 C THR A 114 7.349 4.627 4.426 1.00 0.00 C ATOM 365 O THR A 114 7.792 3.604 4.954 1.00 0.00 O ATOM 366 CB THR A 114 5.475 4.425 6.072 1.00 0.00 C ATOM 367 OG1 THR A 114 4.151 4.865 6.399 1.00 0.00 O ATOM 368 CG2 THR A 114 6.378 4.605 7.285 1.00 0.00 C ATOM 0 H THR A 114 5.271 4.544 3.026 1.00 0.00 H new ATOM 0 HA THR A 114 6.154 6.260 5.166 1.00 0.00 H new ATOM 0 HB THR A 114 5.456 3.370 5.801 1.00 0.00 H new ATOM 0 HG1 THR A 114 3.816 4.354 7.165 1.00 0.00 H new ATOM 0 HG21 THR A 114 5.979 4.034 8.123 1.00 0.00 H new ATOM 0 HG22 THR A 114 7.381 4.249 7.048 1.00 0.00 H new ATOM 0 HG23 THR A 114 6.421 5.661 7.553 1.00 0.00 H new ATOM 376 N GLY A 115 7.985 5.271 3.447 1.00 0.00 N ATOM 377 CA GLY A 115 9.262 4.796 2.946 1.00 0.00 C ATOM 378 C GLY A 115 9.740 5.570 1.732 1.00 0.00 C ATOM 379 O GLY A 115 10.246 4.986 0.776 1.00 0.00 O ATOM 0 H GLY A 115 7.636 6.115 2.993 1.00 0.00 H new ATOM 0 HA2 GLY A 115 10.008 4.871 3.737 1.00 0.00 H new ATOM 0 HA3 GLY A 115 9.176 3.740 2.688 1.00 0.00 H new ATOM 383 N GLY A 116 9.580 6.888 1.762 1.00 0.00 N ATOM 384 CA GLY A 116 10.005 7.705 0.642 1.00 0.00 C ATOM 385 C GLY A 116 11.507 7.917 0.593 1.00 0.00 C ATOM 386 O GLY A 116 12.100 8.425 1.547 1.00 0.00 O ATOM 0 H GLY A 116 9.165 7.403 2.538 1.00 0.00 H new ATOM 0 HA2 GLY A 116 9.680 7.235 -0.286 1.00 0.00 H new ATOM 0 HA3 GLY A 116 9.509 8.674 0.699 1.00 0.00 H new ATOM 390 N ASP A 117 12.118 7.544 -0.531 1.00 0.00 N ATOM 391 CA ASP A 117 13.559 7.704 -0.729 1.00 0.00 C ATOM 392 C ASP A 117 14.367 6.814 0.216 1.00 0.00 C ATOM 393 O ASP A 117 15.268 7.287 0.908 1.00 0.00 O ATOM 394 CB ASP A 117 13.962 9.167 -0.545 1.00 0.00 C ATOM 395 CG ASP A 117 13.293 10.083 -1.551 1.00 0.00 C ATOM 396 OD1 ASP A 117 12.045 10.139 -1.564 1.00 0.00 O ATOM 397 OD2 ASP A 117 14.017 10.744 -2.325 1.00 0.00 O ATOM 0 H ASP A 117 11.633 7.125 -1.325 1.00 0.00 H new ATOM 0 HA ASP A 117 13.784 7.394 -1.749 1.00 0.00 H new ATOM 0 HB2 ASP A 117 13.702 9.488 0.464 1.00 0.00 H new ATOM 0 HB3 ASP A 117 15.044 9.257 -0.639 1.00 0.00 H new ATOM 402 N LEU A 118 14.049 5.522 0.228 1.00 0.00 N ATOM 403 CA LEU A 118 14.759 4.569 1.075 1.00 0.00 C ATOM 404 C LEU A 118 15.438 3.485 0.249 1.00 0.00 C ATOM 405 O LEU A 118 14.947 3.101 -0.812 1.00 0.00 O ATOM 406 CB LEU A 118 13.818 3.920 2.095 1.00 0.00 C ATOM 407 CG LEU A 118 13.530 4.747 3.349 1.00 0.00 C ATOM 408 CD1 LEU A 118 12.721 5.987 3.007 1.00 0.00 C ATOM 409 CD2 LEU A 118 12.807 3.902 4.386 1.00 0.00 C ATOM 0 H LEU A 118 13.306 5.112 -0.338 1.00 0.00 H new ATOM 0 HA LEU A 118 15.524 5.133 1.609 1.00 0.00 H new ATOM 0 HB2 LEU A 118 12.871 3.701 1.601 1.00 0.00 H new ATOM 0 HB3 LEU A 118 14.246 2.966 2.401 1.00 0.00 H new ATOM 0 HG LEU A 118 14.481 5.072 3.770 1.00 0.00 H new ATOM 0 HD11 LEU A 118 12.529 6.558 3.915 1.00 0.00 H new ATOM 0 HD12 LEU A 118 13.280 6.603 2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 118 11.773 5.691 2.558 1.00 0.00 H new ATOM 0 HD21 LEU A 118 12.609 4.505 5.273 1.00 0.00 H new ATOM 0 HD22 LEU A 118 11.864 3.546 3.972 1.00 0.00 H new ATOM 0 HD23 LEU A 118 13.429 3.049 4.658 1.00 0.00 H new ATOM 421 N PRO A 119 16.583 2.976 0.741 1.00 0.00 N ATOM 422 CA PRO A 119 17.344 1.920 0.065 1.00 0.00 C ATOM 423 C PRO A 119 16.480 0.697 -0.223 1.00 0.00 C ATOM 424 O PRO A 119 16.486 -0.272 0.537 1.00 0.00 O ATOM 425 CB PRO A 119 18.448 1.566 1.067 1.00 0.00 C ATOM 426 CG PRO A 119 18.577 2.765 1.944 1.00 0.00 C ATOM 427 CD PRO A 119 17.211 3.390 2.007 1.00 0.00 C ATOM 0 HA PRO A 119 17.725 2.247 -0.902 1.00 0.00 H new ATOM 0 HB2 PRO A 119 18.185 0.681 1.646 1.00 0.00 H new ATOM 0 HB3 PRO A 119 19.387 1.347 0.558 1.00 0.00 H new ATOM 0 HG2 PRO A 119 18.922 2.484 2.939 1.00 0.00 H new ATOM 0 HG3 PRO A 119 19.307 3.466 1.540 1.00 0.00 H new ATOM 0 HD2 PRO A 119 16.647 3.035 2.869 1.00 0.00 H new ATOM 0 HD3 PRO A 119 17.270 4.475 2.089 1.00 0.00 H new ATOM 435 N ALA A 120 15.723 0.762 -1.315 1.00 0.00 N ATOM 436 CA ALA A 120 14.834 -0.324 -1.700 1.00 0.00 C ATOM 437 C ALA A 120 13.770 -0.551 -0.630 1.00 0.00 C ATOM 438 O ALA A 120 13.067 -1.560 -0.640 1.00 0.00 O ATOM 439 CB ALA A 120 15.624 -1.599 -1.950 1.00 0.00 C ATOM 0 H ALA A 120 15.710 1.560 -1.950 1.00 0.00 H new ATOM 0 HA ALA A 120 14.333 -0.045 -2.627 1.00 0.00 H new ATOM 0 HB1 ALA A 120 14.942 -2.399 -2.237 1.00 0.00 H new ATOM 0 HB2 ALA A 120 16.343 -1.430 -2.752 1.00 0.00 H new ATOM 0 HB3 ALA A 120 16.154 -1.883 -1.041 1.00 0.00 H new ATOM 445 N LEU A 121 13.654 0.410 0.285 1.00 0.00 N ATOM 446 CA LEU A 121 12.674 0.339 1.362 1.00 0.00 C ATOM 447 C LEU A 121 12.694 -1.019 2.057 1.00 0.00 C ATOM 448 O LEU A 121 11.685 -1.725 2.086 1.00 0.00 O ATOM 449 CB LEU A 121 11.269 0.633 0.832 1.00 0.00 C ATOM 450 CG LEU A 121 11.004 2.091 0.455 1.00 0.00 C ATOM 451 CD1 LEU A 121 11.887 2.520 -0.707 1.00 0.00 C ATOM 452 CD2 LEU A 121 9.536 2.288 0.109 1.00 0.00 C ATOM 0 H LEU A 121 14.231 1.251 0.300 1.00 0.00 H new ATOM 0 HA LEU A 121 12.946 1.097 2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 121 11.092 0.010 -0.045 1.00 0.00 H new ATOM 0 HB3 LEU A 121 10.543 0.333 1.588 1.00 0.00 H new ATOM 0 HG LEU A 121 11.248 2.716 1.314 1.00 0.00 H new ATOM 0 HD11 LEU A 121 11.680 3.561 -0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 121 12.935 2.416 -0.425 1.00 0.00 H new ATOM 0 HD13 LEU A 121 11.680 1.891 -1.573 1.00 0.00 H new ATOM 0 HD21 LEU A 121 9.362 3.330 -0.157 1.00 0.00 H new ATOM 0 HD22 LEU A 121 9.272 1.649 -0.734 1.00 0.00 H new ATOM 0 HD23 LEU A 121 8.921 2.026 0.970 1.00 0.00 H new ATOM 464 N ASP A 122 13.844 -1.379 2.618 1.00 0.00 N ATOM 465 CA ASP A 122 13.989 -2.650 3.320 1.00 0.00 C ATOM 466 C ASP A 122 13.346 -2.575 4.705 1.00 0.00 C ATOM 467 O ASP A 122 13.934 -2.996 5.702 1.00 0.00 O ATOM 468 CB ASP A 122 15.470 -3.022 3.442 1.00 0.00 C ATOM 469 CG ASP A 122 15.676 -4.394 4.055 1.00 0.00 C ATOM 470 OD1 ASP A 122 15.202 -5.386 3.463 1.00 0.00 O ATOM 471 OD2 ASP A 122 16.313 -4.476 5.127 1.00 0.00 O ATOM 0 H ASP A 122 14.689 -0.809 2.600 1.00 0.00 H new ATOM 0 HA ASP A 122 13.479 -3.423 2.744 1.00 0.00 H new ATOM 0 HB2 ASP A 122 15.930 -2.996 2.454 1.00 0.00 H new ATOM 0 HB3 ASP A 122 15.980 -2.275 4.051 1.00 0.00 H new ATOM 476 N GLY A 123 12.136 -2.028 4.758 1.00 0.00 N ATOM 477 CA GLY A 123 11.429 -1.894 6.016 1.00 0.00 C ATOM 478 C GLY A 123 10.165 -1.067 5.880 1.00 0.00 C ATOM 479 O GLY A 123 9.223 -1.226 6.657 1.00 0.00 O ATOM 0 H GLY A 123 11.631 -1.673 3.946 1.00 0.00 H new ATOM 0 HA2 GLY A 123 11.174 -2.884 6.394 1.00 0.00 H new ATOM 0 HA3 GLY A 123 12.086 -1.431 6.752 1.00 0.00 H new ATOM 483 N ALA A 124 10.152 -0.178 4.888 1.00 0.00 N ATOM 484 CA ALA A 124 9.005 0.689 4.640 1.00 0.00 C ATOM 485 C ALA A 124 7.710 -0.112 4.572 1.00 0.00 C ATOM 486 O ALA A 124 7.722 -1.305 4.272 1.00 0.00 O ATOM 487 CB ALA A 124 9.207 1.470 3.353 1.00 0.00 C ATOM 0 H ALA A 124 10.928 -0.040 4.241 1.00 0.00 H new ATOM 0 HA ALA A 124 8.925 1.388 5.473 1.00 0.00 H new ATOM 0 HB1 ALA A 124 8.345 2.113 3.179 1.00 0.00 H new ATOM 0 HB2 ALA A 124 10.105 2.082 3.436 1.00 0.00 H new ATOM 0 HB3 ALA A 124 9.316 0.776 2.520 1.00 0.00 H new ATOM 493 N ARG A 125 6.593 0.551 4.860 1.00 0.00 N ATOM 494 CA ARG A 125 5.292 -0.110 4.834 1.00 0.00 C ATOM 495 C ARG A 125 4.158 0.904 4.724 1.00 0.00 C ATOM 496 O ARG A 125 4.106 1.877 5.475 1.00 0.00 O ATOM 497 CB ARG A 125 5.112 -0.957 6.094 1.00 0.00 C ATOM 498 CG ARG A 125 5.208 -0.160 7.386 1.00 0.00 C ATOM 499 CD ARG A 125 5.024 -1.050 8.604 1.00 0.00 C ATOM 500 NE ARG A 125 5.169 -0.304 9.851 1.00 0.00 N ATOM 501 CZ ARG A 125 5.058 -0.852 11.058 1.00 0.00 C ATOM 502 NH1 ARG A 125 4.792 -2.146 11.180 1.00 0.00 N ATOM 503 NH2 ARG A 125 5.212 -0.107 12.144 1.00 0.00 N ATOM 0 H ARG A 125 6.562 1.539 5.112 1.00 0.00 H new ATOM 0 HA ARG A 125 5.258 -0.754 3.955 1.00 0.00 H new ATOM 0 HB2 ARG A 125 4.141 -1.451 6.053 1.00 0.00 H new ATOM 0 HB3 ARG A 125 5.868 -1.742 6.105 1.00 0.00 H new ATOM 0 HG2 ARG A 125 6.178 0.334 7.439 1.00 0.00 H new ATOM 0 HG3 ARG A 125 4.450 0.623 7.389 1.00 0.00 H new ATOM 0 HD2 ARG A 125 4.037 -1.512 8.570 1.00 0.00 H new ATOM 0 HD3 ARG A 125 5.755 -1.858 8.577 1.00 0.00 H new ATOM 0 HE ARG A 125 5.367 0.695 9.793 1.00 0.00 H new ATOM 0 HH11 ARG A 125 4.672 -2.723 10.347 1.00 0.00 H new ATOM 0 HH12 ARG A 125 4.707 -2.564 12.107 1.00 0.00 H new ATOM 0 HH21 ARG A 125 5.416 0.888 12.055 1.00 0.00 H new ATOM 0 HH22 ARG A 125 5.126 -0.529 13.069 1.00 0.00 H new ATOM 517 N VAL A 126 3.249 0.666 3.783 1.00 0.00 N ATOM 518 CA VAL A 126 2.116 1.557 3.577 1.00 0.00 C ATOM 519 C VAL A 126 0.818 0.920 4.066 1.00 0.00 C ATOM 520 O VAL A 126 0.539 -0.247 3.781 1.00 0.00 O ATOM 521 CB VAL A 126 1.962 1.941 2.093 1.00 0.00 C ATOM 522 CG1 VAL A 126 3.195 2.683 1.607 1.00 0.00 C ATOM 523 CG2 VAL A 126 1.705 0.709 1.241 1.00 0.00 C ATOM 0 H VAL A 126 3.276 -0.136 3.153 1.00 0.00 H new ATOM 0 HA VAL A 126 2.315 2.458 4.156 1.00 0.00 H new ATOM 0 HB VAL A 126 1.101 2.603 1.997 1.00 0.00 H new ATOM 0 HG11 VAL A 126 3.070 2.947 0.557 1.00 0.00 H new ATOM 0 HG12 VAL A 126 3.329 3.590 2.196 1.00 0.00 H new ATOM 0 HG13 VAL A 126 4.071 2.045 1.719 1.00 0.00 H new ATOM 0 HG21 VAL A 126 1.600 1.004 0.197 1.00 0.00 H new ATOM 0 HG22 VAL A 126 2.542 0.017 1.340 1.00 0.00 H new ATOM 0 HG23 VAL A 126 0.789 0.221 1.574 1.00 0.00 H new ATOM 533 N GLU A 127 0.027 1.696 4.801 1.00 0.00 N ATOM 534 CA GLU A 127 -1.245 1.208 5.324 1.00 0.00 C ATOM 535 C GLU A 127 -2.391 1.586 4.393 1.00 0.00 C ATOM 536 O GLU A 127 -2.611 2.763 4.108 1.00 0.00 O ATOM 537 CB GLU A 127 -1.497 1.769 6.723 1.00 0.00 C ATOM 538 CG GLU A 127 -0.472 1.313 7.749 1.00 0.00 C ATOM 539 CD GLU A 127 -0.701 1.920 9.120 1.00 0.00 C ATOM 540 OE1 GLU A 127 -1.662 2.703 9.270 1.00 0.00 O ATOM 541 OE2 GLU A 127 0.080 1.610 10.044 1.00 0.00 O ATOM 0 H GLU A 127 0.243 2.662 5.047 1.00 0.00 H new ATOM 0 HA GLU A 127 -1.193 0.121 5.386 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -1.494 2.858 6.676 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -2.491 1.467 7.054 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -0.503 0.226 7.828 1.00 0.00 H new ATOM 0 HG3 GLU A 127 0.526 1.579 7.401 1.00 0.00 H new ATOM 548 N PHE A 128 -3.116 0.579 3.919 1.00 0.00 N ATOM 549 CA PHE A 128 -4.240 0.805 3.015 1.00 0.00 C ATOM 550 C PHE A 128 -5.538 1.039 3.779 1.00 0.00 C ATOM 551 O PHE A 128 -5.742 0.499 4.867 1.00 0.00 O ATOM 552 CB PHE A 128 -4.412 -0.372 2.053 1.00 0.00 C ATOM 553 CG PHE A 128 -3.262 -0.556 1.105 1.00 0.00 C ATOM 554 CD1 PHE A 128 -2.044 -1.040 1.555 1.00 0.00 C ATOM 555 CD2 PHE A 128 -3.399 -0.236 -0.237 1.00 0.00 C ATOM 556 CE1 PHE A 128 -0.985 -1.205 0.683 1.00 0.00 C ATOM 557 CE2 PHE A 128 -2.343 -0.400 -1.113 1.00 0.00 C ATOM 558 CZ PHE A 128 -1.135 -0.884 -0.653 1.00 0.00 C ATOM 0 H PHE A 128 -2.947 -0.401 4.145 1.00 0.00 H new ATOM 0 HA PHE A 128 -4.014 1.704 2.442 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -4.542 -1.286 2.632 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -5.326 -0.227 1.477 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -1.921 -1.291 2.598 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -4.341 0.146 -0.602 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -0.041 -1.584 1.045 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -2.463 -0.150 -2.157 1.00 0.00 H new ATOM 0 HZ PHE A 128 -0.308 -1.012 -1.336 1.00 0.00 H new ATOM 568 N ARG A 129 -6.415 1.840 3.186 1.00 0.00 N ATOM 569 CA ARG A 129 -7.709 2.151 3.780 1.00 0.00 C ATOM 570 C ARG A 129 -8.708 2.503 2.683 1.00 0.00 C ATOM 571 O ARG A 129 -8.439 3.359 1.841 1.00 0.00 O ATOM 572 CB ARG A 129 -7.581 3.311 4.770 1.00 0.00 C ATOM 573 CG ARG A 129 -8.890 3.699 5.427 1.00 0.00 C ATOM 574 CD ARG A 129 -8.711 4.865 6.387 1.00 0.00 C ATOM 575 NE ARG A 129 -9.976 5.284 6.987 1.00 0.00 N ATOM 576 CZ ARG A 129 -10.718 4.507 7.772 1.00 0.00 C ATOM 577 NH1 ARG A 129 -10.316 3.278 8.071 1.00 0.00 N ATOM 578 NH2 ARG A 129 -11.862 4.961 8.264 1.00 0.00 N ATOM 0 H ARG A 129 -6.251 2.290 2.285 1.00 0.00 H new ATOM 0 HA ARG A 129 -8.066 1.275 4.322 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -6.863 3.039 5.544 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -7.175 4.178 4.249 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -9.617 3.967 4.660 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -9.295 2.842 5.966 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -8.013 4.581 7.175 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -8.266 5.706 5.855 1.00 0.00 H new ATOM 0 HE ARG A 129 -10.310 6.228 6.792 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -9.434 2.925 7.699 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -10.889 2.686 8.673 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -12.174 5.906 8.041 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -12.431 4.365 8.866 1.00 0.00 H new ATOM 592 N CYS A 130 -9.852 1.828 2.686 1.00 0.00 N ATOM 593 CA CYS A 130 -10.874 2.064 1.674 1.00 0.00 C ATOM 594 C CYS A 130 -11.842 3.165 2.102 1.00 0.00 C ATOM 595 O CYS A 130 -12.072 3.380 3.292 1.00 0.00 O ATOM 596 CB CYS A 130 -11.640 0.776 1.373 1.00 0.00 C ATOM 597 SG CYS A 130 -12.676 0.882 -0.121 1.00 0.00 S ATOM 0 H CYS A 130 -10.094 1.116 3.375 1.00 0.00 H new ATOM 0 HA CYS A 130 -10.368 2.395 0.767 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -10.929 -0.042 1.256 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -12.271 0.530 2.227 1.00 0.00 H new ATOM 602 N ASP A 131 -12.400 3.860 1.113 1.00 0.00 N ATOM 603 CA ASP A 131 -13.343 4.947 1.359 1.00 0.00 C ATOM 604 C ASP A 131 -14.488 4.500 2.268 1.00 0.00 C ATOM 605 O ASP A 131 -14.849 3.325 2.289 1.00 0.00 O ATOM 606 CB ASP A 131 -13.907 5.467 0.035 1.00 0.00 C ATOM 607 CG ASP A 131 -14.652 4.397 -0.738 1.00 0.00 C ATOM 608 OD1 ASP A 131 -14.022 3.384 -1.106 1.00 0.00 O ATOM 609 OD2 ASP A 131 -15.866 4.573 -0.975 1.00 0.00 O ATOM 0 H ASP A 131 -12.213 3.687 0.125 1.00 0.00 H new ATOM 0 HA ASP A 131 -12.802 5.747 1.863 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -14.579 6.302 0.233 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -13.092 5.852 -0.577 1.00 0.00 H new ATOM 614 N PRO A 132 -15.071 5.444 3.037 1.00 0.00 N ATOM 615 CA PRO A 132 -16.182 5.159 3.958 1.00 0.00 C ATOM 616 C PRO A 132 -17.435 4.664 3.237 1.00 0.00 C ATOM 617 O PRO A 132 -18.421 5.391 3.110 1.00 0.00 O ATOM 618 CB PRO A 132 -16.454 6.510 4.630 1.00 0.00 C ATOM 619 CG PRO A 132 -15.879 7.524 3.702 1.00 0.00 C ATOM 620 CD PRO A 132 -14.689 6.867 3.066 1.00 0.00 C ATOM 0 HA PRO A 132 -15.925 4.363 4.657 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -17.522 6.670 4.777 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -15.986 6.564 5.613 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -16.609 7.824 2.950 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -15.587 8.426 4.240 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -14.501 7.255 2.065 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -13.781 7.029 3.646 1.00 0.00 H new ATOM 628 N ASP A 133 -17.384 3.420 2.775 1.00 0.00 N ATOM 629 CA ASP A 133 -18.501 2.804 2.070 1.00 0.00 C ATOM 630 C ASP A 133 -18.169 1.353 1.751 1.00 0.00 C ATOM 631 O ASP A 133 -18.999 0.459 1.917 1.00 0.00 O ATOM 632 CB ASP A 133 -18.818 3.571 0.783 1.00 0.00 C ATOM 633 CG ASP A 133 -20.040 3.028 0.068 1.00 0.00 C ATOM 634 OD1 ASP A 133 -20.026 1.841 -0.321 1.00 0.00 O ATOM 635 OD2 ASP A 133 -21.014 3.792 -0.104 1.00 0.00 O ATOM 0 H ASP A 133 -16.571 2.813 2.878 1.00 0.00 H new ATOM 0 HA ASP A 133 -19.382 2.838 2.711 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -18.978 4.623 1.021 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -17.959 3.523 0.114 1.00 0.00 H new ATOM 640 N PHE A 134 -16.939 1.130 1.303 1.00 0.00 N ATOM 641 CA PHE A 134 -16.465 -0.207 0.972 1.00 0.00 C ATOM 642 C PHE A 134 -15.437 -0.655 2.007 1.00 0.00 C ATOM 643 O PHE A 134 -14.652 0.158 2.495 1.00 0.00 O ATOM 644 CB PHE A 134 -15.840 -0.230 -0.427 1.00 0.00 C ATOM 645 CG PHE A 134 -16.739 0.296 -1.514 1.00 0.00 C ATOM 646 CD1 PHE A 134 -17.092 1.637 -1.553 1.00 0.00 C ATOM 647 CD2 PHE A 134 -17.227 -0.550 -2.497 1.00 0.00 C ATOM 648 CE1 PHE A 134 -17.916 2.122 -2.552 1.00 0.00 C ATOM 649 CE2 PHE A 134 -18.051 -0.069 -3.497 1.00 0.00 C ATOM 650 CZ PHE A 134 -18.396 1.268 -3.525 1.00 0.00 C ATOM 0 H PHE A 134 -16.247 1.866 1.160 1.00 0.00 H new ATOM 0 HA PHE A 134 -17.314 -0.891 0.980 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -14.923 0.359 -0.413 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -15.557 -1.254 -0.669 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -16.719 2.310 -0.795 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -16.961 -1.597 -2.482 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -18.184 3.168 -2.571 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -18.425 -0.739 -4.257 1.00 0.00 H new ATOM 0 HZ PHE A 134 -19.040 1.645 -4.306 1.00 0.00 H new ATOM 660 N HIS A 135 -15.442 -1.940 2.350 1.00 0.00 N ATOM 661 CA HIS A 135 -14.499 -2.451 3.339 1.00 0.00 C ATOM 662 C HIS A 135 -13.308 -3.136 2.675 1.00 0.00 C ATOM 663 O HIS A 135 -13.461 -3.914 1.732 1.00 0.00 O ATOM 664 CB HIS A 135 -15.195 -3.402 4.323 1.00 0.00 C ATOM 665 CG HIS A 135 -15.897 -4.568 3.690 1.00 0.00 C ATOM 666 ND1 HIS A 135 -16.015 -4.948 2.395 1.00 0.00 N flip ATOM 667 CD2 HIS A 135 -16.592 -5.508 4.424 1.00 0.00 C flip ATOM 668 CE1 HIS A 135 -16.770 -6.094 2.373 1.00 0.00 C flip ATOM 669 NE2 HIS A 135 -17.105 -6.412 3.608 1.00 0.00 N flip ATOM 0 H HIS A 135 -16.079 -2.637 1.964 1.00 0.00 H new ATOM 0 HA HIS A 135 -14.119 -1.597 3.900 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -14.452 -3.782 5.025 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -15.920 -2.832 4.904 1.00 0.00 H new ATOM 0 HD1 HIS A 135 -15.617 -4.471 1.586 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -16.700 -5.505 5.499 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -17.045 -6.646 1.487 1.00 0.00 H new ATOM 678 N LEU A 136 -12.116 -2.824 3.175 1.00 0.00 N ATOM 679 CA LEU A 136 -10.880 -3.388 2.646 1.00 0.00 C ATOM 680 C LEU A 136 -10.759 -4.867 3.003 1.00 0.00 C ATOM 681 O LEU A 136 -10.823 -5.240 4.175 1.00 0.00 O ATOM 682 CB LEU A 136 -9.684 -2.604 3.194 1.00 0.00 C ATOM 683 CG LEU A 136 -8.305 -3.120 2.779 1.00 0.00 C ATOM 684 CD1 LEU A 136 -8.203 -3.238 1.266 1.00 0.00 C ATOM 685 CD2 LEU A 136 -7.220 -2.203 3.318 1.00 0.00 C ATOM 0 H LEU A 136 -11.981 -2.178 3.953 1.00 0.00 H new ATOM 0 HA LEU A 136 -10.894 -3.308 1.559 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -9.775 -1.567 2.872 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -9.740 -2.606 4.283 1.00 0.00 H new ATOM 0 HG LEU A 136 -8.166 -4.114 3.204 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -7.214 -3.607 0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -8.961 -3.933 0.903 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -8.362 -2.259 0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -6.243 -2.580 3.017 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -7.361 -1.199 2.918 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -7.277 -2.172 4.406 1.00 0.00 H new ATOM 697 N VAL A 137 -10.594 -5.704 1.983 1.00 0.00 N ATOM 698 CA VAL A 137 -10.476 -7.145 2.186 1.00 0.00 C ATOM 699 C VAL A 137 -9.338 -7.734 1.352 1.00 0.00 C ATOM 700 O VAL A 137 -9.571 -8.549 0.459 1.00 0.00 O ATOM 701 CB VAL A 137 -11.790 -7.865 1.822 1.00 0.00 C ATOM 702 CG1 VAL A 137 -11.729 -9.333 2.222 1.00 0.00 C ATOM 703 CG2 VAL A 137 -12.979 -7.176 2.475 1.00 0.00 C ATOM 0 H VAL A 137 -10.539 -5.410 1.008 1.00 0.00 H new ATOM 0 HA VAL A 137 -10.259 -7.300 3.243 1.00 0.00 H new ATOM 0 HB VAL A 137 -11.919 -7.813 0.741 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -12.666 -9.822 1.956 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -10.905 -9.819 1.699 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -11.572 -9.411 3.298 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -13.896 -7.700 2.205 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -12.858 -7.190 3.558 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -13.036 -6.144 2.130 1.00 0.00 H new ATOM 713 N GLY A 138 -8.106 -7.317 1.635 1.00 0.00 N ATOM 714 CA GLY A 138 -6.974 -7.826 0.883 1.00 0.00 C ATOM 715 C GLY A 138 -5.641 -7.412 1.471 1.00 0.00 C ATOM 716 O GLY A 138 -5.399 -7.599 2.663 1.00 0.00 O ATOM 0 H GLY A 138 -7.874 -6.643 2.364 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -7.027 -8.914 0.848 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -7.038 -7.470 -0.145 1.00 0.00 H new ATOM 720 N SER A 139 -4.777 -6.853 0.627 1.00 0.00 N ATOM 721 CA SER A 139 -3.460 -6.405 1.048 1.00 0.00 C ATOM 722 C SER A 139 -3.559 -5.125 1.875 1.00 0.00 C ATOM 723 O SER A 139 -2.962 -4.104 1.533 1.00 0.00 O ATOM 724 CB SER A 139 -2.584 -6.171 -0.178 1.00 0.00 C ATOM 725 OG SER A 139 -2.419 -7.363 -0.925 1.00 0.00 O ATOM 0 H SER A 139 -4.972 -6.700 -0.362 1.00 0.00 H new ATOM 0 HA SER A 139 -3.012 -7.178 1.672 1.00 0.00 H new ATOM 0 HB2 SER A 139 -3.033 -5.403 -0.808 1.00 0.00 H new ATOM 0 HB3 SER A 139 -1.609 -5.797 0.134 1.00 0.00 H new ATOM 0 HG SER A 139 -1.948 -7.163 -1.761 1.00 0.00 H new ATOM 731 N SER A 140 -4.323 -5.192 2.960 1.00 0.00 N ATOM 732 CA SER A 140 -4.517 -4.051 3.843 1.00 0.00 C ATOM 733 C SER A 140 -3.182 -3.446 4.267 1.00 0.00 C ATOM 734 O SER A 140 -3.104 -2.263 4.596 1.00 0.00 O ATOM 735 CB SER A 140 -5.325 -4.476 5.069 1.00 0.00 C ATOM 736 OG SER A 140 -5.566 -3.378 5.931 1.00 0.00 O ATOM 0 H SER A 140 -4.822 -6.033 3.250 1.00 0.00 H new ATOM 0 HA SER A 140 -5.069 -3.285 3.298 1.00 0.00 H new ATOM 0 HB2 SER A 140 -6.274 -4.907 4.750 1.00 0.00 H new ATOM 0 HB3 SER A 140 -4.787 -5.255 5.610 1.00 0.00 H new ATOM 0 HG SER A 140 -6.086 -3.678 6.706 1.00 0.00 H new ATOM 742 N ARG A 141 -2.134 -4.263 4.253 1.00 0.00 N ATOM 743 CA ARG A 141 -0.802 -3.805 4.633 1.00 0.00 C ATOM 744 C ARG A 141 0.249 -4.363 3.679 1.00 0.00 C ATOM 745 O ARG A 141 0.285 -5.565 3.418 1.00 0.00 O ATOM 746 CB ARG A 141 -0.484 -4.233 6.068 1.00 0.00 C ATOM 747 CG ARG A 141 -1.481 -3.717 7.092 1.00 0.00 C ATOM 748 CD ARG A 141 -1.164 -4.200 8.503 1.00 0.00 C ATOM 749 NE ARG A 141 0.103 -3.671 9.010 1.00 0.00 N ATOM 750 CZ ARG A 141 1.297 -4.190 8.730 1.00 0.00 C ATOM 751 NH1 ARG A 141 1.395 -5.293 8.001 1.00 0.00 N ATOM 752 NH2 ARG A 141 2.395 -3.616 9.200 1.00 0.00 N ATOM 0 H ARG A 141 -2.181 -5.245 3.983 1.00 0.00 H new ATOM 0 HA ARG A 141 -0.784 -2.717 4.575 1.00 0.00 H new ATOM 0 HB2 ARG A 141 -0.457 -5.322 6.116 1.00 0.00 H new ATOM 0 HB3 ARG A 141 0.512 -3.878 6.332 1.00 0.00 H new ATOM 0 HG2 ARG A 141 -1.484 -2.627 7.076 1.00 0.00 H new ATOM 0 HG3 ARG A 141 -2.484 -4.043 6.816 1.00 0.00 H new ATOM 0 HD2 ARG A 141 -1.971 -3.904 9.174 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -1.127 -5.289 8.510 1.00 0.00 H new ATOM 0 HE ARG A 141 0.069 -2.852 9.617 1.00 0.00 H new ATOM 0 HH11 ARG A 141 0.553 -5.749 7.651 1.00 0.00 H new ATOM 0 HH12 ARG A 141 2.313 -5.685 7.790 1.00 0.00 H new ATOM 0 HH21 ARG A 141 2.325 -2.777 9.776 1.00 0.00 H new ATOM 0 HH22 ARG A 141 3.310 -4.013 8.986 1.00 0.00 H new ATOM 766 N SER A 142 1.104 -3.485 3.160 1.00 0.00 N ATOM 767 CA SER A 142 2.154 -3.900 2.233 1.00 0.00 C ATOM 768 C SER A 142 3.518 -3.408 2.702 1.00 0.00 C ATOM 769 O SER A 142 3.743 -2.204 2.836 1.00 0.00 O ATOM 770 CB SER A 142 1.866 -3.360 0.829 1.00 0.00 C ATOM 771 OG SER A 142 0.617 -3.825 0.349 1.00 0.00 O ATOM 0 H SER A 142 1.091 -2.486 3.364 1.00 0.00 H new ATOM 0 HA SER A 142 2.167 -4.990 2.204 1.00 0.00 H new ATOM 0 HB2 SER A 142 1.869 -2.270 0.848 1.00 0.00 H new ATOM 0 HB3 SER A 142 2.659 -3.669 0.148 1.00 0.00 H new ATOM 0 HG SER A 142 0.663 -4.793 0.202 1.00 0.00 H new ATOM 777 N VAL A 143 4.429 -4.345 2.941 1.00 0.00 N ATOM 778 CA VAL A 143 5.775 -4.008 3.383 1.00 0.00 C ATOM 779 C VAL A 143 6.767 -4.176 2.240 1.00 0.00 C ATOM 780 O VAL A 143 6.853 -5.243 1.633 1.00 0.00 O ATOM 781 CB VAL A 143 6.215 -4.875 4.580 1.00 0.00 C ATOM 782 CG1 VAL A 143 6.034 -6.352 4.267 1.00 0.00 C ATOM 783 CG2 VAL A 143 7.659 -4.577 4.957 1.00 0.00 C ATOM 0 H VAL A 143 4.258 -5.345 2.836 1.00 0.00 H new ATOM 0 HA VAL A 143 5.761 -2.966 3.703 1.00 0.00 H new ATOM 0 HB VAL A 143 5.583 -4.627 5.433 1.00 0.00 H new ATOM 0 HG11 VAL A 143 6.350 -6.947 5.124 1.00 0.00 H new ATOM 0 HG12 VAL A 143 4.984 -6.553 4.053 1.00 0.00 H new ATOM 0 HG13 VAL A 143 6.638 -6.617 3.399 1.00 0.00 H new ATOM 0 HG21 VAL A 143 7.950 -5.199 5.804 1.00 0.00 H new ATOM 0 HG22 VAL A 143 8.308 -4.792 4.108 1.00 0.00 H new ATOM 0 HG23 VAL A 143 7.754 -3.526 5.229 1.00 0.00 H new ATOM 793 N CYS A 144 7.506 -3.117 1.941 1.00 0.00 N ATOM 794 CA CYS A 144 8.477 -3.156 0.859 1.00 0.00 C ATOM 795 C CYS A 144 9.697 -3.987 1.231 1.00 0.00 C ATOM 796 O CYS A 144 10.063 -4.093 2.402 1.00 0.00 O ATOM 797 CB CYS A 144 8.918 -1.750 0.468 1.00 0.00 C ATOM 798 SG CYS A 144 9.964 -1.713 -1.022 1.00 0.00 S ATOM 0 H CYS A 144 7.452 -2.224 2.431 1.00 0.00 H new ATOM 0 HA CYS A 144 7.985 -3.625 0.007 1.00 0.00 H new ATOM 0 HB2 CYS A 144 8.035 -1.133 0.299 1.00 0.00 H new ATOM 0 HB3 CYS A 144 9.465 -1.304 1.299 1.00 0.00 H new ATOM 803 N SER A 145 10.325 -4.564 0.214 1.00 0.00 N ATOM 804 CA SER A 145 11.515 -5.382 0.395 1.00 0.00 C ATOM 805 C SER A 145 12.251 -5.513 -0.933 1.00 0.00 C ATOM 806 O SER A 145 11.682 -5.976 -1.924 1.00 0.00 O ATOM 807 CB SER A 145 11.137 -6.766 0.929 1.00 0.00 C ATOM 808 OG SER A 145 10.459 -6.668 2.169 1.00 0.00 O ATOM 0 H SER A 145 10.024 -4.478 -0.757 1.00 0.00 H new ATOM 0 HA SER A 145 12.169 -4.901 1.122 1.00 0.00 H new ATOM 0 HB2 SER A 145 10.504 -7.278 0.204 1.00 0.00 H new ATOM 0 HB3 SER A 145 12.036 -7.370 1.050 1.00 0.00 H new ATOM 0 HG SER A 145 10.593 -5.773 2.545 1.00 0.00 H new ATOM 814 N GLN A 146 13.511 -5.087 -0.955 1.00 0.00 N ATOM 815 CA GLN A 146 14.316 -5.139 -2.170 1.00 0.00 C ATOM 816 C GLN A 146 13.629 -4.344 -3.283 1.00 0.00 C ATOM 817 O GLN A 146 13.559 -4.781 -4.432 1.00 0.00 O ATOM 818 CB GLN A 146 14.540 -6.592 -2.602 1.00 0.00 C ATOM 819 CG GLN A 146 15.552 -6.751 -3.727 1.00 0.00 C ATOM 820 CD GLN A 146 15.791 -8.201 -4.113 1.00 0.00 C ATOM 821 OE1 GLN A 146 15.124 -9.124 -3.425 1.00 0.00 O flip ATOM 822 NE2 GLN A 146 16.571 -8.488 -5.021 1.00 0.00 N flip ATOM 0 H GLN A 146 13.996 -4.702 -0.145 1.00 0.00 H new ATOM 0 HA GLN A 146 15.289 -4.691 -1.970 1.00 0.00 H new ATOM 0 HB2 GLN A 146 14.875 -7.169 -1.740 1.00 0.00 H new ATOM 0 HB3 GLN A 146 13.588 -7.017 -2.920 1.00 0.00 H new ATOM 0 HG2 GLN A 146 15.204 -6.201 -4.601 1.00 0.00 H new ATOM 0 HG3 GLN A 146 16.497 -6.301 -3.423 1.00 0.00 H new ATOM 0 HE21 GLN A 146 17.063 -7.749 -5.524 1.00 0.00 H new ATOM 0 HE22 GLN A 146 16.726 -9.465 -5.271 1.00 0.00 H new ATOM 831 N GLY A 147 13.117 -3.172 -2.916 1.00 0.00 N ATOM 832 CA GLY A 147 12.430 -2.312 -3.864 1.00 0.00 C ATOM 833 C GLY A 147 11.201 -2.975 -4.464 1.00 0.00 C ATOM 834 O GLY A 147 10.803 -2.659 -5.587 1.00 0.00 O ATOM 0 H GLY A 147 13.167 -2.800 -1.968 1.00 0.00 H new ATOM 0 HA2 GLY A 147 12.134 -1.389 -3.365 1.00 0.00 H new ATOM 0 HA3 GLY A 147 13.117 -2.036 -4.664 1.00 0.00 H new ATOM 838 N GLN A 148 10.593 -3.888 -3.709 1.00 0.00 N ATOM 839 CA GLN A 148 9.394 -4.591 -4.164 1.00 0.00 C ATOM 840 C GLN A 148 8.427 -4.814 -3.001 1.00 0.00 C ATOM 841 O GLN A 148 8.822 -5.293 -1.939 1.00 0.00 O ATOM 842 CB GLN A 148 9.773 -5.932 -4.798 1.00 0.00 C ATOM 843 CG GLN A 148 8.592 -6.684 -5.394 1.00 0.00 C ATOM 844 CD GLN A 148 7.927 -5.928 -6.528 1.00 0.00 C ATOM 845 OE1 GLN A 148 7.399 -4.833 -6.338 1.00 0.00 O ATOM 846 NE2 GLN A 148 7.949 -6.513 -7.721 1.00 0.00 N ATOM 0 H GLN A 148 10.911 -4.159 -2.778 1.00 0.00 H new ATOM 0 HA GLN A 148 8.898 -3.974 -4.914 1.00 0.00 H new ATOM 0 HB2 GLN A 148 10.513 -5.758 -5.579 1.00 0.00 H new ATOM 0 HB3 GLN A 148 10.248 -6.559 -4.043 1.00 0.00 H new ATOM 0 HG2 GLN A 148 8.931 -7.653 -5.759 1.00 0.00 H new ATOM 0 HG3 GLN A 148 7.858 -6.877 -4.612 1.00 0.00 H new ATOM 0 HE21 GLN A 148 8.398 -7.422 -7.835 1.00 0.00 H new ATOM 0 HE22 GLN A 148 7.517 -6.053 -8.523 1.00 0.00 H new ATOM 855 N TRP A 149 7.160 -4.458 -3.203 1.00 0.00 N ATOM 856 CA TRP A 149 6.147 -4.615 -2.161 1.00 0.00 C ATOM 857 C TRP A 149 5.783 -6.082 -1.948 1.00 0.00 C ATOM 858 O TRP A 149 5.518 -6.808 -2.905 1.00 0.00 O ATOM 859 CB TRP A 149 4.887 -3.825 -2.513 1.00 0.00 C ATOM 860 CG TRP A 149 5.160 -2.401 -2.882 1.00 0.00 C ATOM 861 CD1 TRP A 149 5.582 -1.934 -4.093 1.00 0.00 C ATOM 862 CD2 TRP A 149 5.050 -1.260 -2.027 1.00 0.00 C ATOM 863 NE1 TRP A 149 5.725 -0.569 -4.047 1.00 0.00 N ATOM 864 CE2 TRP A 149 5.405 -0.132 -2.789 1.00 0.00 C ATOM 865 CE3 TRP A 149 4.678 -1.083 -0.693 1.00 0.00 C ATOM 866 CZ2 TRP A 149 5.403 1.155 -2.258 1.00 0.00 C ATOM 867 CZ3 TRP A 149 4.676 0.195 -0.168 1.00 0.00 C ATOM 868 CH2 TRP A 149 5.035 1.300 -0.949 1.00 0.00 C ATOM 0 H TRP A 149 6.811 -4.060 -4.075 1.00 0.00 H new ATOM 0 HA TRP A 149 6.573 -4.227 -1.236 1.00 0.00 H new ATOM 0 HB2 TRP A 149 4.380 -4.316 -3.343 1.00 0.00 H new ATOM 0 HB3 TRP A 149 4.204 -3.848 -1.664 1.00 0.00 H new ATOM 0 HD1 TRP A 149 5.775 -2.548 -4.960 1.00 0.00 H new ATOM 0 HE1 TRP A 149 6.021 0.023 -4.823 1.00 0.00 H new ATOM 0 HE3 TRP A 149 4.397 -1.929 -0.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 5.682 2.008 -2.858 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 4.392 0.344 0.863 1.00 0.00 H new ATOM 0 HH2 TRP A 149 5.021 2.286 -0.509 1.00 0.00 H new ATOM 879 N SER A 150 5.761 -6.504 -0.686 1.00 0.00 N ATOM 880 CA SER A 150 5.414 -7.879 -0.347 1.00 0.00 C ATOM 881 C SER A 150 4.030 -8.239 -0.878 1.00 0.00 C ATOM 882 O SER A 150 3.885 -9.152 -1.691 1.00 0.00 O ATOM 883 CB SER A 150 5.462 -8.086 1.168 1.00 0.00 C ATOM 884 OG SER A 150 6.770 -7.874 1.671 1.00 0.00 O ATOM 0 H SER A 150 5.979 -5.914 0.117 1.00 0.00 H new ATOM 0 HA SER A 150 6.146 -8.535 -0.817 1.00 0.00 H new ATOM 0 HB2 SER A 150 4.767 -7.401 1.654 1.00 0.00 H new ATOM 0 HB3 SER A 150 5.135 -9.097 1.410 1.00 0.00 H new ATOM 0 HG SER A 150 7.074 -6.976 1.424 1.00 0.00 H new ATOM 890 N THR A 151 3.012 -7.512 -0.416 1.00 0.00 N ATOM 891 CA THR A 151 1.643 -7.758 -0.851 1.00 0.00 C ATOM 892 C THR A 151 1.217 -6.762 -1.928 1.00 0.00 C ATOM 893 O THR A 151 1.438 -5.558 -1.792 1.00 0.00 O ATOM 894 CB THR A 151 0.655 -7.679 0.327 1.00 0.00 C ATOM 895 OG1 THR A 151 0.722 -6.386 0.937 1.00 0.00 O ATOM 896 CG2 THR A 151 0.962 -8.751 1.362 1.00 0.00 C ATOM 0 H THR A 151 3.112 -6.752 0.257 1.00 0.00 H new ATOM 0 HA THR A 151 1.621 -8.766 -1.265 1.00 0.00 H new ATOM 0 HB THR A 151 -0.351 -7.846 -0.059 1.00 0.00 H new ATOM 0 HG1 THR A 151 0.491 -6.460 1.887 1.00 0.00 H new ATOM 0 HG21 THR A 151 0.251 -8.676 2.185 1.00 0.00 H new ATOM 0 HG22 THR A 151 0.881 -9.735 0.901 1.00 0.00 H new ATOM 0 HG23 THR A 151 1.974 -8.610 1.742 1.00 0.00 H new ATOM 904 N PRO A 152 0.599 -7.252 -3.019 1.00 0.00 N ATOM 905 CA PRO A 152 0.143 -6.397 -4.124 1.00 0.00 C ATOM 906 C PRO A 152 -0.961 -5.435 -3.695 1.00 0.00 C ATOM 907 O PRO A 152 -1.117 -5.138 -2.512 1.00 0.00 O ATOM 908 CB PRO A 152 -0.396 -7.394 -5.161 1.00 0.00 C ATOM 909 CG PRO A 152 0.156 -8.720 -4.758 1.00 0.00 C ATOM 910 CD PRO A 152 0.297 -8.669 -3.266 1.00 0.00 C ATOM 0 HA PRO A 152 0.947 -5.765 -4.501 1.00 0.00 H new ATOM 0 HB2 PRO A 152 -1.486 -7.407 -5.165 1.00 0.00 H new ATOM 0 HB3 PRO A 152 -0.077 -7.125 -6.168 1.00 0.00 H new ATOM 0 HG2 PRO A 152 -0.510 -9.529 -5.060 1.00 0.00 H new ATOM 0 HG3 PRO A 152 1.118 -8.904 -5.235 1.00 0.00 H new ATOM 0 HD2 PRO A 152 -0.617 -8.982 -2.762 1.00 0.00 H new ATOM 0 HD3 PRO A 152 1.096 -9.321 -2.912 1.00 0.00 H new ATOM 918 N LYS A 153 -1.728 -4.956 -4.669 1.00 0.00 N ATOM 919 CA LYS A 153 -2.827 -4.034 -4.397 1.00 0.00 C ATOM 920 C LYS A 153 -4.111 -4.800 -4.079 1.00 0.00 C ATOM 921 O LYS A 153 -4.503 -5.700 -4.822 1.00 0.00 O ATOM 922 CB LYS A 153 -3.050 -3.107 -5.595 1.00 0.00 C ATOM 923 CG LYS A 153 -1.891 -2.158 -5.859 1.00 0.00 C ATOM 924 CD LYS A 153 -1.695 -1.172 -4.716 1.00 0.00 C ATOM 925 CE LYS A 153 -2.895 -0.248 -4.559 1.00 0.00 C ATOM 926 NZ LYS A 153 -3.143 0.556 -5.787 1.00 0.00 N ATOM 0 H LYS A 153 -1.609 -5.191 -5.655 1.00 0.00 H new ATOM 0 HA LYS A 153 -2.561 -3.432 -3.528 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -3.222 -3.713 -6.485 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -3.955 -2.523 -5.428 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -0.976 -2.733 -6.004 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -2.073 -1.611 -6.784 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -1.533 -1.719 -3.787 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -0.799 -0.578 -4.897 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -3.781 -0.840 -4.328 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -2.730 0.421 -3.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -3.294 1.551 -5.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -2.321 0.485 -6.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -3.988 0.194 -6.274 1.00 0.00 H new ATOM 940 N PRO A 154 -4.783 -4.456 -2.964 1.00 0.00 N ATOM 941 CA PRO A 154 -6.024 -5.126 -2.555 1.00 0.00 C ATOM 942 C PRO A 154 -7.228 -4.704 -3.393 1.00 0.00 C ATOM 943 O PRO A 154 -7.079 -4.248 -4.526 1.00 0.00 O ATOM 944 CB PRO A 154 -6.199 -4.671 -1.107 1.00 0.00 C ATOM 945 CG PRO A 154 -5.542 -3.336 -1.051 1.00 0.00 C ATOM 946 CD PRO A 154 -4.387 -3.396 -2.015 1.00 0.00 C ATOM 0 HA PRO A 154 -5.963 -6.207 -2.681 1.00 0.00 H new ATOM 0 HB2 PRO A 154 -7.253 -4.606 -0.837 1.00 0.00 H new ATOM 0 HB3 PRO A 154 -5.734 -5.371 -0.413 1.00 0.00 H new ATOM 0 HG2 PRO A 154 -6.240 -2.546 -1.329 1.00 0.00 H new ATOM 0 HG3 PRO A 154 -5.196 -3.115 -0.042 1.00 0.00 H new ATOM 0 HD2 PRO A 154 -4.236 -2.442 -2.520 1.00 0.00 H new ATOM 0 HD3 PRO A 154 -3.453 -3.640 -1.508 1.00 0.00 H new ATOM 954 N HIS A 155 -8.421 -4.859 -2.822 1.00 0.00 N ATOM 955 CA HIS A 155 -9.655 -4.494 -3.509 1.00 0.00 C ATOM 956 C HIS A 155 -10.755 -4.148 -2.508 1.00 0.00 C ATOM 957 O HIS A 155 -10.799 -4.698 -1.408 1.00 0.00 O ATOM 958 CB HIS A 155 -10.117 -5.632 -4.425 1.00 0.00 C ATOM 959 CG HIS A 155 -10.315 -6.936 -3.716 1.00 0.00 C ATOM 960 ND1 HIS A 155 -9.293 -7.611 -3.082 1.00 0.00 N ATOM 961 CD2 HIS A 155 -11.426 -7.693 -3.547 1.00 0.00 C ATOM 962 CE1 HIS A 155 -9.765 -8.728 -2.556 1.00 0.00 C ATOM 963 NE2 HIS A 155 -11.056 -8.799 -2.823 1.00 0.00 N ATOM 0 H HIS A 155 -8.558 -5.236 -1.884 1.00 0.00 H new ATOM 0 HA HIS A 155 -9.453 -3.612 -4.117 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -11.053 -5.344 -4.904 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -9.382 -5.768 -5.218 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -12.417 -7.468 -3.913 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -9.193 -9.458 -2.003 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -11.679 -9.555 -2.537 1.00 0.00 H new ATOM 972 N CYS A 156 -11.643 -3.238 -2.899 1.00 0.00 N ATOM 973 CA CYS A 156 -12.744 -2.826 -2.036 1.00 0.00 C ATOM 974 C CYS A 156 -14.019 -3.584 -2.381 1.00 0.00 C ATOM 975 O CYS A 156 -14.412 -3.658 -3.546 1.00 0.00 O ATOM 976 CB CYS A 156 -13.000 -1.324 -2.167 1.00 0.00 C ATOM 977 SG CYS A 156 -11.691 -0.264 -1.478 1.00 0.00 S ATOM 0 H CYS A 156 -11.621 -2.773 -3.807 1.00 0.00 H new ATOM 0 HA CYS A 156 -12.460 -3.055 -1.009 1.00 0.00 H new ATOM 0 HB2 CYS A 156 -13.126 -1.082 -3.222 1.00 0.00 H new ATOM 0 HB3 CYS A 156 -13.940 -1.085 -1.670 1.00 0.00 H new ATOM 982 N GLN A 157 -14.664 -4.140 -1.362 1.00 0.00 N ATOM 983 CA GLN A 157 -15.900 -4.887 -1.560 1.00 0.00 C ATOM 984 C GLN A 157 -17.093 -4.109 -1.015 1.00 0.00 C ATOM 985 O GLN A 157 -17.038 -3.560 0.083 1.00 0.00 O ATOM 986 CB GLN A 157 -15.810 -6.255 -0.881 1.00 0.00 C ATOM 987 CG GLN A 157 -17.055 -7.111 -1.060 1.00 0.00 C ATOM 988 CD GLN A 157 -17.324 -7.462 -2.511 1.00 0.00 C ATOM 989 OE1 GLN A 157 -17.537 -6.584 -3.347 1.00 0.00 O ATOM 990 NE2 GLN A 157 -17.315 -8.754 -2.818 1.00 0.00 N ATOM 0 H GLN A 157 -14.352 -4.088 -0.392 1.00 0.00 H new ATOM 0 HA GLN A 157 -16.042 -5.034 -2.631 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -14.950 -6.793 -1.280 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -15.629 -6.111 0.184 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -16.945 -8.029 -0.483 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -17.916 -6.581 -0.654 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -17.134 -9.449 -2.094 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -17.489 -9.051 -3.778 1.00 0.00 H new ATOM 999 N VAL A 158 -18.173 -4.064 -1.788 1.00 0.00 N ATOM 1000 CA VAL A 158 -19.374 -3.355 -1.370 1.00 0.00 C ATOM 1001 C VAL A 158 -20.092 -4.110 -0.255 1.00 0.00 C ATOM 1002 O VAL A 158 -20.359 -5.306 -0.374 1.00 0.00 O ATOM 1003 CB VAL A 158 -20.342 -3.140 -2.553 1.00 0.00 C ATOM 1004 CG1 VAL A 158 -20.721 -4.469 -3.188 1.00 0.00 C ATOM 1005 CG2 VAL A 158 -21.582 -2.382 -2.100 1.00 0.00 C ATOM 0 H VAL A 158 -18.240 -4.509 -2.704 1.00 0.00 H new ATOM 0 HA VAL A 158 -19.059 -2.381 -0.997 1.00 0.00 H new ATOM 0 HB VAL A 158 -19.833 -2.539 -3.307 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -21.404 -4.293 -4.019 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -19.823 -4.966 -3.555 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -21.208 -5.101 -2.446 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -22.252 -2.240 -2.948 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -22.094 -2.952 -1.325 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -21.289 -1.410 -1.703 1.00 0.00 H new ATOM 1015 N ASN A 159 -20.400 -3.406 0.831 1.00 0.00 N ATOM 1016 CA ASN A 159 -21.084 -4.015 1.965 1.00 0.00 C ATOM 1017 C ASN A 159 -22.508 -4.412 1.593 1.00 0.00 C ATOM 1018 O ASN A 159 -22.926 -5.530 1.961 1.00 0.00 O ATOM 1019 CB ASN A 159 -21.104 -3.058 3.158 1.00 0.00 C ATOM 1020 CG ASN A 159 -19.711 -2.734 3.664 1.00 0.00 C ATOM 1021 OD1 ASN A 159 -18.949 -3.627 4.036 1.00 0.00 O ATOM 1022 ND2 ASN A 159 -19.374 -1.450 3.687 1.00 0.00 N ATOM 1023 OXT ASN A 159 -23.195 -3.601 0.935 1.00 0.00 O ATOM 0 H ASN A 159 -20.187 -2.415 0.948 1.00 0.00 H new ATOM 0 HA ASN A 159 -20.535 -4.915 2.243 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -21.607 -2.135 2.871 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -21.687 -3.501 3.966 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -18.452 -1.171 4.022 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -20.037 -0.743 3.369 1.00 0.00 H new