USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=15 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 142 SER OG : rot -44:sc= 1.22 USER MOD Set 1.2: A 151 THR OG1 : rot -145:sc= 0.406! USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -166:sc= -0.0245 (180deg=-0.268) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 130:sc= -0.299 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -1.81 K(o=-1.8,f=-5.3!) USER MOD Single : A 110 LYS NZ :NH3+ 145:sc= -3.35! (180deg=-6.18!) USER MOD Single : A 114 THR OG1 : rot 88:sc= 0.0141 USER MOD Single : A 135 HIS : no HD1:sc= -0.483 K(o=-0.48,f=-4.4!) USER MOD Single : A 139 SER OG : rot 144:sc= -1.05 USER MOD Single : A 140 SER OG : rot 180:sc= -0.566 USER MOD Single : A 145 SER OG : rot 71:sc= 0.977 USER MOD Single : A 146 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 148 GLN : amide:sc= -1.32 K(o=-1.3,f=-2.2!) USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 153 LYS NZ :NH3+ -126:sc= 0.979 (180deg=-1.5) USER MOD Single : A 155 HIS : no HD1:sc= -0.463 K(o=-0.46,f=-1.3) USER MOD Single : A 157 GLN :FLIP amide:sc= -0.548 F(o=-3.1!,f=-0.55) USER MOD Single : A 159 ASN : amide:sc= -0.742 K(o=-0.74,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 103 N ILE A 98 12.967 2.449 -5.759 1.00 0.00 N ATOM 104 CA ILE A 98 11.617 2.872 -5.401 1.00 0.00 C ATOM 105 C ILE A 98 10.614 1.730 -5.507 1.00 0.00 C ATOM 106 O ILE A 98 10.731 0.848 -6.358 1.00 0.00 O ATOM 107 CB ILE A 98 11.110 4.057 -6.255 1.00 0.00 C ATOM 108 CG1 ILE A 98 11.648 3.978 -7.686 1.00 0.00 C ATOM 109 CG2 ILE A 98 11.478 5.385 -5.614 1.00 0.00 C ATOM 110 CD1 ILE A 98 11.152 2.783 -8.470 1.00 0.00 C ATOM 0 HA ILE A 98 11.690 3.199 -4.364 1.00 0.00 H new ATOM 0 HB ILE A 98 10.023 3.991 -6.301 1.00 0.00 H new ATOM 0 HG12 ILE A 98 11.370 4.888 -8.218 1.00 0.00 H new ATOM 0 HG13 ILE A 98 12.737 3.949 -7.652 1.00 0.00 H new ATOM 0 HG21 ILE A 98 11.110 6.203 -6.234 1.00 0.00 H new ATOM 0 HG22 ILE A 98 11.026 5.449 -4.624 1.00 0.00 H new ATOM 0 HG23 ILE A 98 12.562 5.457 -5.524 1.00 0.00 H new ATOM 0 HD11 ILE A 98 11.580 2.802 -9.472 1.00 0.00 H new ATOM 0 HD12 ILE A 98 11.453 1.866 -7.964 1.00 0.00 H new ATOM 0 HD13 ILE A 98 10.065 2.819 -8.539 1.00 0.00 H new ATOM 122 N CYS A 99 9.625 1.767 -4.627 1.00 0.00 N ATOM 123 CA CYS A 99 8.572 0.762 -4.586 1.00 0.00 C ATOM 124 C CYS A 99 7.486 1.097 -5.604 1.00 0.00 C ATOM 125 O CYS A 99 7.210 2.270 -5.853 1.00 0.00 O ATOM 126 CB CYS A 99 7.970 0.702 -3.184 1.00 0.00 C ATOM 127 SG CYS A 99 9.193 0.886 -1.847 1.00 0.00 S ATOM 0 H CYS A 99 9.529 2.496 -3.920 1.00 0.00 H new ATOM 0 HA CYS A 99 8.999 -0.209 -4.835 1.00 0.00 H new ATOM 0 HB2 CYS A 99 7.220 1.487 -3.087 1.00 0.00 H new ATOM 0 HB3 CYS A 99 7.453 -0.250 -3.062 1.00 0.00 H new ATOM 132 N SER A 100 6.878 0.068 -6.192 1.00 0.00 N ATOM 133 CA SER A 100 5.822 0.266 -7.185 1.00 0.00 C ATOM 134 C SER A 100 4.894 1.410 -6.778 1.00 0.00 C ATOM 135 O SER A 100 4.283 1.379 -5.710 1.00 0.00 O ATOM 136 CB SER A 100 5.014 -1.020 -7.368 1.00 0.00 C ATOM 137 OG SER A 100 5.842 -2.085 -7.802 1.00 0.00 O ATOM 0 H SER A 100 7.097 -0.909 -5.999 1.00 0.00 H new ATOM 0 HA SER A 100 6.296 0.527 -8.131 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.534 -1.289 -6.427 1.00 0.00 H new ATOM 0 HB3 SER A 100 4.219 -0.854 -8.095 1.00 0.00 H new ATOM 0 HG SER A 100 5.302 -2.896 -7.910 1.00 0.00 H new ATOM 143 N LYS A 101 4.802 2.419 -7.638 1.00 0.00 N ATOM 144 CA LYS A 101 3.958 3.582 -7.378 1.00 0.00 C ATOM 145 C LYS A 101 2.479 3.222 -7.477 1.00 0.00 C ATOM 146 O LYS A 101 1.625 3.896 -6.901 1.00 0.00 O ATOM 147 CB LYS A 101 4.292 4.705 -8.363 1.00 0.00 C ATOM 148 CG LYS A 101 3.495 5.980 -8.129 1.00 0.00 C ATOM 149 CD LYS A 101 3.863 7.063 -9.132 1.00 0.00 C ATOM 150 CE LYS A 101 5.316 7.487 -8.993 1.00 0.00 C ATOM 151 NZ LYS A 101 5.611 8.032 -7.639 1.00 0.00 N ATOM 0 H LYS A 101 5.304 2.455 -8.525 1.00 0.00 H new ATOM 0 HA LYS A 101 4.157 3.924 -6.362 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.355 4.934 -8.293 1.00 0.00 H new ATOM 0 HB3 LYS A 101 4.108 4.353 -9.378 1.00 0.00 H new ATOM 0 HG2 LYS A 101 2.429 5.762 -8.202 1.00 0.00 H new ATOM 0 HG3 LYS A 101 3.677 6.343 -7.118 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.686 6.698 -10.144 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.216 7.928 -8.987 1.00 0.00 H new ATOM 0 HE2 LYS A 101 5.963 6.632 -9.189 1.00 0.00 H new ATOM 0 HE3 LYS A 101 5.547 8.241 -9.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 6.528 8.522 -7.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.865 8.702 -7.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 5.647 7.253 -6.951 1.00 0.00 H new ATOM 165 N SER A 102 2.185 2.163 -8.225 1.00 0.00 N ATOM 166 CA SER A 102 0.809 1.713 -8.420 1.00 0.00 C ATOM 167 C SER A 102 0.088 1.507 -7.090 1.00 0.00 C ATOM 168 O SER A 102 -1.078 1.872 -6.945 1.00 0.00 O ATOM 169 CB SER A 102 0.793 0.411 -9.224 1.00 0.00 C ATOM 170 OG SER A 102 -0.531 -0.056 -9.412 1.00 0.00 O ATOM 0 H SER A 102 2.883 1.598 -8.708 1.00 0.00 H new ATOM 0 HA SER A 102 0.281 2.492 -8.971 1.00 0.00 H new ATOM 0 HB2 SER A 102 1.266 0.572 -10.193 1.00 0.00 H new ATOM 0 HB3 SER A 102 1.379 -0.348 -8.705 1.00 0.00 H new ATOM 0 HG SER A 102 -0.514 -0.888 -9.930 1.00 0.00 H new ATOM 176 N TYR A 103 0.781 0.913 -6.124 1.00 0.00 N ATOM 177 CA TYR A 103 0.195 0.655 -4.811 1.00 0.00 C ATOM 178 C TYR A 103 -0.179 1.953 -4.099 1.00 0.00 C ATOM 179 O TYR A 103 -1.246 2.052 -3.495 1.00 0.00 O ATOM 180 CB TYR A 103 1.158 -0.161 -3.945 1.00 0.00 C ATOM 181 CG TYR A 103 1.363 -1.582 -4.426 1.00 0.00 C ATOM 182 CD1 TYR A 103 1.694 -1.853 -5.749 1.00 0.00 C ATOM 183 CD2 TYR A 103 1.223 -2.654 -3.554 1.00 0.00 C ATOM 184 CE1 TYR A 103 1.877 -3.151 -6.188 1.00 0.00 C ATOM 185 CE2 TYR A 103 1.406 -3.954 -3.985 1.00 0.00 C ATOM 186 CZ TYR A 103 1.733 -4.197 -5.302 1.00 0.00 C ATOM 187 OH TYR A 103 1.915 -5.490 -5.735 1.00 0.00 O ATOM 0 H TYR A 103 1.747 0.601 -6.224 1.00 0.00 H new ATOM 0 HA TYR A 103 -0.718 0.081 -4.966 1.00 0.00 H new ATOM 0 HB2 TYR A 103 2.123 0.345 -3.916 1.00 0.00 H new ATOM 0 HB3 TYR A 103 0.780 -0.185 -2.923 1.00 0.00 H new ATOM 0 HD1 TYR A 103 1.810 -1.036 -6.445 1.00 0.00 H new ATOM 0 HD2 TYR A 103 0.967 -2.468 -2.521 1.00 0.00 H new ATOM 0 HE1 TYR A 103 2.131 -3.344 -7.220 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.293 -4.776 -3.293 1.00 0.00 H new ATOM 0 HH TYR A 103 2.530 -5.954 -5.130 1.00 0.00 H new ATOM 197 N LEU A 104 0.705 2.943 -4.169 1.00 0.00 N ATOM 198 CA LEU A 104 0.466 4.231 -3.525 1.00 0.00 C ATOM 199 C LEU A 104 -0.834 4.867 -4.015 1.00 0.00 C ATOM 200 O LEU A 104 -1.563 5.483 -3.238 1.00 0.00 O ATOM 201 CB LEU A 104 1.640 5.181 -3.775 1.00 0.00 C ATOM 202 CG LEU A 104 2.962 4.762 -3.125 1.00 0.00 C ATOM 203 CD1 LEU A 104 4.074 5.725 -3.513 1.00 0.00 C ATOM 204 CD2 LEU A 104 2.816 4.697 -1.611 1.00 0.00 C ATOM 0 H LEU A 104 1.594 2.879 -4.665 1.00 0.00 H new ATOM 0 HA LEU A 104 0.374 4.052 -2.454 1.00 0.00 H new ATOM 0 HB2 LEU A 104 1.793 5.270 -4.851 1.00 0.00 H new ATOM 0 HB3 LEU A 104 1.370 6.172 -3.409 1.00 0.00 H new ATOM 0 HG LEU A 104 3.224 3.768 -3.487 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.006 5.413 -3.043 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.196 5.723 -4.596 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.818 6.730 -3.179 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.765 4.398 -1.166 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.530 5.678 -1.231 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.048 3.969 -1.350 1.00 0.00 H new ATOM 216 N THR A 105 -1.118 4.720 -5.305 1.00 0.00 N ATOM 217 CA THR A 105 -2.330 5.286 -5.888 1.00 0.00 C ATOM 218 C THR A 105 -3.475 4.278 -5.874 1.00 0.00 C ATOM 219 O THR A 105 -3.291 3.108 -6.209 1.00 0.00 O ATOM 220 CB THR A 105 -2.091 5.757 -7.336 1.00 0.00 C ATOM 221 OG1 THR A 105 -3.296 6.313 -7.876 1.00 0.00 O ATOM 222 CG2 THR A 105 -1.620 4.606 -8.213 1.00 0.00 C ATOM 0 H THR A 105 -0.527 4.215 -5.966 1.00 0.00 H new ATOM 0 HA THR A 105 -2.602 6.145 -5.274 1.00 0.00 H new ATOM 0 HB THR A 105 -1.313 6.520 -7.320 1.00 0.00 H new ATOM 0 HG1 THR A 105 -3.135 6.611 -8.796 1.00 0.00 H new ATOM 0 HG21 THR A 105 -1.459 4.965 -9.229 1.00 0.00 H new ATOM 0 HG22 THR A 105 -0.687 4.205 -7.817 1.00 0.00 H new ATOM 0 HG23 THR A 105 -2.377 3.822 -8.221 1.00 0.00 H new ATOM 230 N LEU A 106 -4.662 4.740 -5.486 1.00 0.00 N ATOM 231 CA LEU A 106 -5.838 3.878 -5.431 1.00 0.00 C ATOM 232 C LEU A 106 -7.096 4.657 -5.803 1.00 0.00 C ATOM 233 O LEU A 106 -7.350 5.736 -5.267 1.00 0.00 O ATOM 234 CB LEU A 106 -5.990 3.270 -4.033 1.00 0.00 C ATOM 235 CG LEU A 106 -7.167 2.304 -3.864 1.00 0.00 C ATOM 236 CD1 LEU A 106 -7.183 1.267 -4.977 1.00 0.00 C ATOM 237 CD2 LEU A 106 -7.104 1.626 -2.504 1.00 0.00 C ATOM 0 H LEU A 106 -4.834 5.706 -5.206 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.703 3.072 -6.153 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -5.070 2.743 -3.782 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.100 4.080 -3.312 1.00 0.00 H new ATOM 0 HG LEU A 106 -8.091 2.879 -3.924 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -8.028 0.593 -4.834 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -7.277 1.768 -5.940 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.255 0.695 -4.955 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.947 0.943 -2.399 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -6.172 1.068 -2.418 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -7.149 2.381 -1.719 1.00 0.00 H new ATOM 249 N GLU A 107 -7.878 4.104 -6.727 1.00 0.00 N ATOM 250 CA GLU A 107 -9.108 4.751 -7.174 1.00 0.00 C ATOM 251 C GLU A 107 -10.258 4.493 -6.207 1.00 0.00 C ATOM 252 O GLU A 107 -11.401 4.303 -6.625 1.00 0.00 O ATOM 253 CB GLU A 107 -9.485 4.262 -8.575 1.00 0.00 C ATOM 254 CG GLU A 107 -9.770 2.769 -8.642 1.00 0.00 C ATOM 255 CD GLU A 107 -10.129 2.305 -10.039 1.00 0.00 C ATOM 256 OE1 GLU A 107 -11.127 2.812 -10.595 1.00 0.00 O ATOM 257 OE2 GLU A 107 -9.414 1.435 -10.578 1.00 0.00 O ATOM 0 H GLU A 107 -7.682 3.211 -7.180 1.00 0.00 H new ATOM 0 HA GLU A 107 -8.926 5.825 -7.203 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -10.365 4.807 -8.917 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -8.675 4.500 -9.264 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.895 2.220 -8.295 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -10.587 2.528 -7.962 1.00 0.00 H new ATOM 264 N ASN A 108 -9.950 4.498 -4.914 1.00 0.00 N ATOM 265 CA ASN A 108 -10.958 4.273 -3.883 1.00 0.00 C ATOM 266 C ASN A 108 -10.336 4.261 -2.490 1.00 0.00 C ATOM 267 O ASN A 108 -10.872 3.639 -1.576 1.00 0.00 O ATOM 268 CB ASN A 108 -11.689 2.947 -4.123 1.00 0.00 C ATOM 269 CG ASN A 108 -10.740 1.768 -4.202 1.00 0.00 C ATOM 270 OD1 ASN A 108 -10.050 1.445 -3.235 1.00 0.00 O ATOM 271 ND2 ASN A 108 -10.695 1.121 -5.361 1.00 0.00 N ATOM 0 H ASN A 108 -9.009 4.656 -4.554 1.00 0.00 H new ATOM 0 HA ASN A 108 -11.670 5.096 -3.940 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -12.405 2.780 -3.319 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -12.260 3.013 -5.049 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -10.071 0.322 -5.475 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -11.285 1.423 -6.137 1.00 0.00 H new ATOM 278 N GLY A 109 -9.212 4.953 -2.326 1.00 0.00 N ATOM 279 CA GLY A 109 -8.565 4.987 -1.027 1.00 0.00 C ATOM 280 C GLY A 109 -7.174 5.583 -1.060 1.00 0.00 C ATOM 281 O GLY A 109 -6.501 5.575 -2.090 1.00 0.00 O ATOM 0 H GLY A 109 -8.743 5.484 -3.059 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -9.182 5.563 -0.338 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.508 3.973 -0.632 1.00 0.00 H new ATOM 285 N LYS A 110 -6.747 6.091 0.088 1.00 0.00 N ATOM 286 CA LYS A 110 -5.426 6.692 0.235 1.00 0.00 C ATOM 287 C LYS A 110 -4.476 5.711 0.915 1.00 0.00 C ATOM 288 O LYS A 110 -4.892 4.929 1.770 1.00 0.00 O ATOM 289 CB LYS A 110 -5.517 7.982 1.052 1.00 0.00 C ATOM 290 CG LYS A 110 -6.480 9.005 0.468 1.00 0.00 C ATOM 291 CD LYS A 110 -6.554 10.271 1.314 1.00 0.00 C ATOM 292 CE LYS A 110 -7.206 10.021 2.668 1.00 0.00 C ATOM 293 NZ LYS A 110 -6.371 9.159 3.550 1.00 0.00 N ATOM 0 H LYS A 110 -7.304 6.099 0.942 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.040 6.931 -0.756 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.830 7.738 2.067 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -4.525 8.428 1.123 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.165 9.263 -0.543 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.473 8.563 0.389 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -5.549 10.665 1.464 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -7.118 11.033 0.776 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -7.387 10.975 3.163 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -8.178 9.550 2.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -6.480 9.465 4.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -6.676 8.169 3.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -5.373 9.241 3.271 1.00 0.00 H new ATOM 307 N VAL A 111 -3.204 5.748 0.535 1.00 0.00 N ATOM 308 CA VAL A 111 -2.216 4.848 1.120 1.00 0.00 C ATOM 309 C VAL A 111 -1.307 5.582 2.101 1.00 0.00 C ATOM 310 O VAL A 111 -0.617 6.534 1.735 1.00 0.00 O ATOM 311 CB VAL A 111 -1.352 4.181 0.033 1.00 0.00 C ATOM 312 CG1 VAL A 111 -0.325 3.250 0.658 1.00 0.00 C ATOM 313 CG2 VAL A 111 -2.230 3.430 -0.955 1.00 0.00 C ATOM 0 H VAL A 111 -2.834 6.386 -0.170 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.771 4.078 1.657 1.00 0.00 H new ATOM 0 HB VAL A 111 -0.816 4.961 -0.508 1.00 0.00 H new ATOM 0 HG11 VAL A 111 0.274 2.790 -0.127 1.00 0.00 H new ATOM 0 HG12 VAL A 111 0.324 3.819 1.324 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -0.836 2.473 1.227 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -1.605 2.964 -1.717 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -2.794 2.660 -0.428 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -2.922 4.126 -1.429 1.00 0.00 H new ATOM 323 N PHE A 112 -1.311 5.122 3.349 1.00 0.00 N ATOM 324 CA PHE A 112 -0.487 5.717 4.396 1.00 0.00 C ATOM 325 C PHE A 112 0.923 5.137 4.372 1.00 0.00 C ATOM 326 O PHE A 112 1.317 4.406 5.282 1.00 0.00 O ATOM 327 CB PHE A 112 -1.118 5.491 5.774 1.00 0.00 C ATOM 328 CG PHE A 112 -2.418 6.219 5.986 1.00 0.00 C ATOM 329 CD1 PHE A 112 -3.448 6.122 5.061 1.00 0.00 C ATOM 330 CD2 PHE A 112 -2.608 7.000 7.114 1.00 0.00 C ATOM 331 CE1 PHE A 112 -4.640 6.792 5.260 1.00 0.00 C ATOM 332 CE2 PHE A 112 -3.799 7.672 7.317 1.00 0.00 C ATOM 333 CZ PHE A 112 -4.816 7.568 6.388 1.00 0.00 C ATOM 0 H PHE A 112 -1.879 4.334 3.661 1.00 0.00 H new ATOM 0 HA PHE A 112 -0.428 6.789 4.206 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -1.286 4.423 5.913 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -0.410 5.805 6.541 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -3.317 5.517 4.176 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -1.816 7.085 7.844 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -5.434 6.709 4.533 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -3.934 8.278 8.201 1.00 0.00 H new ATOM 0 HZ PHE A 112 -5.747 8.093 6.544 1.00 0.00 H new ATOM 343 N LEU A 113 1.676 5.450 3.322 1.00 0.00 N ATOM 344 CA LEU A 113 3.037 4.942 3.190 1.00 0.00 C ATOM 345 C LEU A 113 3.926 5.441 4.322 1.00 0.00 C ATOM 346 O LEU A 113 3.748 6.550 4.827 1.00 0.00 O ATOM 347 CB LEU A 113 3.649 5.285 1.813 1.00 0.00 C ATOM 348 CG LEU A 113 3.895 6.772 1.489 1.00 0.00 C ATOM 349 CD1 LEU A 113 2.614 7.576 1.636 1.00 0.00 C ATOM 350 CD2 LEU A 113 5.003 7.358 2.351 1.00 0.00 C ATOM 0 H LEU A 113 1.370 6.049 2.555 1.00 0.00 H new ATOM 0 HA LEU A 113 2.981 3.856 3.260 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.601 4.761 1.729 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.993 4.878 1.044 1.00 0.00 H new ATOM 0 HG LEU A 113 4.221 6.832 0.451 1.00 0.00 H new ATOM 0 HD11 LEU A 113 2.812 8.622 1.402 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.860 7.188 0.951 1.00 0.00 H new ATOM 0 HD13 LEU A 113 2.250 7.496 2.660 1.00 0.00 H new ATOM 0 HD21 LEU A 113 5.148 8.407 2.094 1.00 0.00 H new ATOM 0 HD22 LEU A 113 4.728 7.277 3.402 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.929 6.810 2.175 1.00 0.00 H new ATOM 362 N THR A 114 4.885 4.610 4.711 1.00 0.00 N ATOM 363 CA THR A 114 5.814 4.954 5.777 1.00 0.00 C ATOM 364 C THR A 114 7.241 4.632 5.352 1.00 0.00 C ATOM 365 O THR A 114 7.856 3.684 5.844 1.00 0.00 O ATOM 366 CB THR A 114 5.484 4.210 7.088 1.00 0.00 C ATOM 367 OG1 THR A 114 4.114 4.428 7.442 1.00 0.00 O ATOM 368 CG2 THR A 114 6.381 4.685 8.222 1.00 0.00 C ATOM 0 H THR A 114 5.039 3.689 4.301 1.00 0.00 H new ATOM 0 HA THR A 114 5.717 6.024 5.963 1.00 0.00 H new ATOM 0 HB THR A 114 5.657 3.146 6.927 1.00 0.00 H new ATOM 0 HG1 THR A 114 3.553 3.751 7.009 1.00 0.00 H new ATOM 0 HG21 THR A 114 6.129 4.146 9.135 1.00 0.00 H new ATOM 0 HG22 THR A 114 7.423 4.496 7.965 1.00 0.00 H new ATOM 0 HG23 THR A 114 6.234 5.754 8.379 1.00 0.00 H new ATOM 376 N GLY A 115 7.747 5.427 4.415 1.00 0.00 N ATOM 377 CA GLY A 115 9.088 5.229 3.904 1.00 0.00 C ATOM 378 C GLY A 115 9.582 6.433 3.130 1.00 0.00 C ATOM 379 O GLY A 115 10.042 7.412 3.718 1.00 0.00 O ATOM 0 H GLY A 115 7.246 6.211 3.998 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.766 5.028 4.733 1.00 0.00 H new ATOM 0 HA3 GLY A 115 9.104 4.351 3.258 1.00 0.00 H new ATOM 383 N GLY A 116 9.475 6.362 1.806 1.00 0.00 N ATOM 384 CA GLY A 116 9.905 7.457 0.955 1.00 0.00 C ATOM 385 C GLY A 116 11.385 7.775 1.083 1.00 0.00 C ATOM 386 O GLY A 116 11.891 7.993 2.185 1.00 0.00 O ATOM 0 H GLY A 116 9.095 5.559 1.305 1.00 0.00 H new ATOM 0 HA2 GLY A 116 9.683 7.210 -0.083 1.00 0.00 H new ATOM 0 HA3 GLY A 116 9.327 8.348 1.201 1.00 0.00 H new ATOM 390 N ASP A 117 12.076 7.816 -0.053 1.00 0.00 N ATOM 391 CA ASP A 117 13.503 8.125 -0.085 1.00 0.00 C ATOM 392 C ASP A 117 14.310 7.110 0.720 1.00 0.00 C ATOM 393 O ASP A 117 15.142 7.477 1.550 1.00 0.00 O ATOM 394 CB ASP A 117 13.751 9.540 0.447 1.00 0.00 C ATOM 395 CG ASP A 117 15.191 9.989 0.271 1.00 0.00 C ATOM 396 OD1 ASP A 117 15.990 9.218 -0.301 1.00 0.00 O ATOM 397 OD2 ASP A 117 15.517 11.114 0.704 1.00 0.00 O ATOM 0 H ASP A 117 11.667 7.638 -0.970 1.00 0.00 H new ATOM 0 HA ASP A 117 13.834 8.071 -1.122 1.00 0.00 H new ATOM 0 HB2 ASP A 117 13.092 10.238 -0.069 1.00 0.00 H new ATOM 0 HB3 ASP A 117 13.490 9.577 1.505 1.00 0.00 H new ATOM 402 N LEU A 118 14.061 5.830 0.465 1.00 0.00 N ATOM 403 CA LEU A 118 14.764 4.760 1.159 1.00 0.00 C ATOM 404 C LEU A 118 15.281 3.722 0.168 1.00 0.00 C ATOM 405 O LEU A 118 14.621 3.422 -0.824 1.00 0.00 O ATOM 406 CB LEU A 118 13.839 4.086 2.175 1.00 0.00 C ATOM 407 CG LEU A 118 13.219 5.018 3.220 1.00 0.00 C ATOM 408 CD1 LEU A 118 12.384 4.224 4.211 1.00 0.00 C ATOM 409 CD2 LEU A 118 14.298 5.811 3.941 1.00 0.00 C ATOM 0 H LEU A 118 13.376 5.509 -0.219 1.00 0.00 H new ATOM 0 HA LEU A 118 15.613 5.198 1.684 1.00 0.00 H new ATOM 0 HB2 LEU A 118 13.034 3.589 1.634 1.00 0.00 H new ATOM 0 HB3 LEU A 118 14.402 3.310 2.694 1.00 0.00 H new ATOM 0 HG LEU A 118 12.565 5.723 2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 118 11.951 4.902 4.947 1.00 0.00 H new ATOM 0 HD12 LEU A 118 11.585 3.705 3.681 1.00 0.00 H new ATOM 0 HD13 LEU A 118 13.016 3.495 4.717 1.00 0.00 H new ATOM 0 HD21 LEU A 118 13.836 6.467 4.679 1.00 0.00 H new ATOM 0 HD22 LEU A 118 14.980 5.125 4.442 1.00 0.00 H new ATOM 0 HD23 LEU A 118 14.852 6.411 3.219 1.00 0.00 H new ATOM 421 N PRO A 119 16.475 3.158 0.430 1.00 0.00 N ATOM 422 CA PRO A 119 17.080 2.142 -0.441 1.00 0.00 C ATOM 423 C PRO A 119 16.118 0.991 -0.712 1.00 0.00 C ATOM 424 O PRO A 119 16.126 -0.019 -0.008 1.00 0.00 O ATOM 425 CB PRO A 119 18.287 1.652 0.362 1.00 0.00 C ATOM 426 CG PRO A 119 18.622 2.777 1.279 1.00 0.00 C ATOM 427 CD PRO A 119 17.322 3.465 1.596 1.00 0.00 C ATOM 0 HA PRO A 119 17.345 2.541 -1.420 1.00 0.00 H new ATOM 0 HB2 PRO A 119 18.049 0.746 0.919 1.00 0.00 H new ATOM 0 HB3 PRO A 119 19.125 1.413 -0.292 1.00 0.00 H new ATOM 0 HG2 PRO A 119 19.099 2.409 2.188 1.00 0.00 H new ATOM 0 HG3 PRO A 119 19.322 3.467 0.808 1.00 0.00 H new ATOM 0 HD2 PRO A 119 16.884 3.088 2.520 1.00 0.00 H new ATOM 0 HD3 PRO A 119 17.457 4.539 1.722 1.00 0.00 H new ATOM 435 N ALA A 120 15.275 1.163 -1.727 1.00 0.00 N ATOM 436 CA ALA A 120 14.285 0.158 -2.087 1.00 0.00 C ATOM 437 C ALA A 120 13.315 -0.062 -0.933 1.00 0.00 C ATOM 438 O ALA A 120 12.597 -1.062 -0.890 1.00 0.00 O ATOM 439 CB ALA A 120 14.964 -1.147 -2.477 1.00 0.00 C ATOM 0 H ALA A 120 15.260 1.995 -2.317 1.00 0.00 H new ATOM 0 HA ALA A 120 13.722 0.517 -2.948 1.00 0.00 H new ATOM 0 HB1 ALA A 120 14.208 -1.885 -2.743 1.00 0.00 H new ATOM 0 HB2 ALA A 120 15.619 -0.975 -3.331 1.00 0.00 H new ATOM 0 HB3 ALA A 120 15.552 -1.516 -1.637 1.00 0.00 H new ATOM 445 N LEU A 121 13.304 0.894 -0.005 1.00 0.00 N ATOM 446 CA LEU A 121 12.432 0.844 1.164 1.00 0.00 C ATOM 447 C LEU A 121 12.350 -0.561 1.751 1.00 0.00 C ATOM 448 O LEU A 121 11.258 -1.100 1.937 1.00 0.00 O ATOM 449 CB LEU A 121 11.029 1.354 0.824 1.00 0.00 C ATOM 450 CG LEU A 121 10.923 2.858 0.587 1.00 0.00 C ATOM 451 CD1 LEU A 121 11.630 3.254 -0.699 1.00 0.00 C ATOM 452 CD2 LEU A 121 9.466 3.292 0.547 1.00 0.00 C ATOM 0 H LEU A 121 13.898 1.722 -0.044 1.00 0.00 H new ATOM 0 HA LEU A 121 12.872 1.498 1.917 1.00 0.00 H new ATOM 0 HB2 LEU A 121 10.678 0.836 -0.069 1.00 0.00 H new ATOM 0 HB3 LEU A 121 10.354 1.082 1.636 1.00 0.00 H new ATOM 0 HG LEU A 121 11.413 3.367 1.417 1.00 0.00 H new ATOM 0 HD11 LEU A 121 11.541 4.330 -0.847 1.00 0.00 H new ATOM 0 HD12 LEU A 121 12.684 2.983 -0.633 1.00 0.00 H new ATOM 0 HD13 LEU A 121 11.173 2.733 -1.541 1.00 0.00 H new ATOM 0 HD21 LEU A 121 9.411 4.367 0.377 1.00 0.00 H new ATOM 0 HD22 LEU A 121 8.953 2.770 -0.261 1.00 0.00 H new ATOM 0 HD23 LEU A 121 8.988 3.050 1.496 1.00 0.00 H new ATOM 464 N ASP A 122 13.506 -1.146 2.049 1.00 0.00 N ATOM 465 CA ASP A 122 13.556 -2.485 2.630 1.00 0.00 C ATOM 466 C ASP A 122 13.188 -2.432 4.113 1.00 0.00 C ATOM 467 O ASP A 122 13.857 -3.026 4.958 1.00 0.00 O ATOM 468 CB ASP A 122 14.948 -3.096 2.446 1.00 0.00 C ATOM 469 CG ASP A 122 15.031 -4.520 2.961 1.00 0.00 C ATOM 470 OD1 ASP A 122 14.275 -5.378 2.458 1.00 0.00 O ATOM 471 OD2 ASP A 122 15.851 -4.777 3.867 1.00 0.00 O ATOM 0 H ASP A 122 14.419 -0.716 1.899 1.00 0.00 H new ATOM 0 HA ASP A 122 12.832 -3.116 2.114 1.00 0.00 H new ATOM 0 HB2 ASP A 122 15.211 -3.080 1.388 1.00 0.00 H new ATOM 0 HB3 ASP A 122 15.682 -2.482 2.967 1.00 0.00 H new ATOM 476 N GLY A 123 12.121 -1.700 4.415 1.00 0.00 N ATOM 477 CA GLY A 123 11.666 -1.553 5.781 1.00 0.00 C ATOM 478 C GLY A 123 10.383 -0.751 5.863 1.00 0.00 C ATOM 479 O GLY A 123 9.611 -0.892 6.812 1.00 0.00 O ATOM 0 H GLY A 123 11.558 -1.201 3.726 1.00 0.00 H new ATOM 0 HA2 GLY A 123 11.508 -2.538 6.219 1.00 0.00 H new ATOM 0 HA3 GLY A 123 12.440 -1.062 6.371 1.00 0.00 H new ATOM 483 N ALA A 124 10.160 0.095 4.859 1.00 0.00 N ATOM 484 CA ALA A 124 8.967 0.933 4.806 1.00 0.00 C ATOM 485 C ALA A 124 7.699 0.090 4.849 1.00 0.00 C ATOM 486 O ALA A 124 7.666 -1.028 4.335 1.00 0.00 O ATOM 487 CB ALA A 124 8.983 1.792 3.550 1.00 0.00 C ATOM 0 H ALA A 124 10.794 0.217 4.069 1.00 0.00 H new ATOM 0 HA ALA A 124 8.972 1.582 5.682 1.00 0.00 H new ATOM 0 HB1 ALA A 124 8.087 2.413 3.522 1.00 0.00 H new ATOM 0 HB2 ALA A 124 9.867 2.430 3.557 1.00 0.00 H new ATOM 0 HB3 ALA A 124 9.006 1.149 2.670 1.00 0.00 H new ATOM 493 N ARG A 125 6.654 0.639 5.457 1.00 0.00 N ATOM 494 CA ARG A 125 5.378 -0.059 5.561 1.00 0.00 C ATOM 495 C ARG A 125 4.228 0.866 5.184 1.00 0.00 C ATOM 496 O ARG A 125 4.208 2.035 5.567 1.00 0.00 O ATOM 497 CB ARG A 125 5.170 -0.598 6.977 1.00 0.00 C ATOM 498 CG ARG A 125 3.851 -1.332 7.153 1.00 0.00 C ATOM 499 CD ARG A 125 3.665 -1.819 8.581 1.00 0.00 C ATOM 500 NE ARG A 125 3.681 -0.719 9.544 1.00 0.00 N ATOM 501 CZ ARG A 125 2.795 0.274 9.552 1.00 0.00 C ATOM 502 NH1 ARG A 125 1.816 0.306 8.657 1.00 0.00 N ATOM 503 NH2 ARG A 125 2.884 1.235 10.461 1.00 0.00 N ATOM 0 H ARG A 125 6.665 1.565 5.885 1.00 0.00 H new ATOM 0 HA ARG A 125 5.396 -0.899 4.866 1.00 0.00 H new ATOM 0 HB2 ARG A 125 5.989 -1.273 7.225 1.00 0.00 H new ATOM 0 HB3 ARG A 125 5.214 0.231 7.684 1.00 0.00 H new ATOM 0 HG2 ARG A 125 3.028 -0.670 6.884 1.00 0.00 H new ATOM 0 HG3 ARG A 125 3.813 -2.181 6.471 1.00 0.00 H new ATOM 0 HD2 ARG A 125 2.720 -2.356 8.660 1.00 0.00 H new ATOM 0 HD3 ARG A 125 4.456 -2.528 8.828 1.00 0.00 H new ATOM 0 HE ARG A 125 4.415 -0.712 10.252 1.00 0.00 H new ATOM 0 HH11 ARG A 125 1.740 -0.433 7.958 1.00 0.00 H new ATOM 0 HH12 ARG A 125 1.140 1.070 8.668 1.00 0.00 H new ATOM 0 HH21 ARG A 125 3.632 1.213 11.154 1.00 0.00 H new ATOM 0 HH22 ARG A 125 2.205 1.996 10.467 1.00 0.00 H new ATOM 517 N VAL A 126 3.274 0.339 4.425 1.00 0.00 N ATOM 518 CA VAL A 126 2.127 1.124 3.991 1.00 0.00 C ATOM 519 C VAL A 126 0.817 0.523 4.482 1.00 0.00 C ATOM 520 O VAL A 126 0.603 -0.690 4.399 1.00 0.00 O ATOM 521 CB VAL A 126 2.079 1.242 2.457 1.00 0.00 C ATOM 522 CG1 VAL A 126 3.339 1.911 1.938 1.00 0.00 C ATOM 523 CG2 VAL A 126 1.890 -0.124 1.818 1.00 0.00 C ATOM 0 H VAL A 126 3.273 -0.627 4.098 1.00 0.00 H new ATOM 0 HA VAL A 126 2.247 2.116 4.426 1.00 0.00 H new ATOM 0 HB VAL A 126 1.225 1.862 2.185 1.00 0.00 H new ATOM 0 HG11 VAL A 126 3.290 1.987 0.852 1.00 0.00 H new ATOM 0 HG12 VAL A 126 3.425 2.909 2.368 1.00 0.00 H new ATOM 0 HG13 VAL A 126 4.209 1.318 2.221 1.00 0.00 H new ATOM 0 HG21 VAL A 126 1.859 -0.017 0.734 1.00 0.00 H new ATOM 0 HG22 VAL A 126 2.721 -0.773 2.095 1.00 0.00 H new ATOM 0 HG23 VAL A 126 0.955 -0.562 2.166 1.00 0.00 H new ATOM 533 N GLU A 127 -0.064 1.387 4.980 1.00 0.00 N ATOM 534 CA GLU A 127 -1.367 0.958 5.470 1.00 0.00 C ATOM 535 C GLU A 127 -2.471 1.505 4.571 1.00 0.00 C ATOM 536 O GLU A 127 -2.687 2.715 4.503 1.00 0.00 O ATOM 537 CB GLU A 127 -1.577 1.430 6.910 1.00 0.00 C ATOM 538 CG GLU A 127 -2.931 1.049 7.486 1.00 0.00 C ATOM 539 CD GLU A 127 -3.106 1.509 8.920 1.00 0.00 C ATOM 540 OE1 GLU A 127 -3.016 2.730 9.167 1.00 0.00 O ATOM 541 OE2 GLU A 127 -3.336 0.649 9.796 1.00 0.00 O ATOM 0 H GLU A 127 0.103 2.390 5.054 1.00 0.00 H new ATOM 0 HA GLU A 127 -1.405 -0.131 5.453 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -0.793 1.009 7.539 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -1.468 2.514 6.947 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -3.719 1.484 6.870 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -3.050 -0.033 7.439 1.00 0.00 H new ATOM 548 N PHE A 128 -3.163 0.608 3.877 1.00 0.00 N ATOM 549 CA PHE A 128 -4.238 1.004 2.973 1.00 0.00 C ATOM 550 C PHE A 128 -5.502 1.385 3.735 1.00 0.00 C ATOM 551 O PHE A 128 -5.859 0.754 4.730 1.00 0.00 O ATOM 552 CB PHE A 128 -4.553 -0.118 1.980 1.00 0.00 C ATOM 553 CG PHE A 128 -3.467 -0.367 0.969 1.00 0.00 C ATOM 554 CD1 PHE A 128 -2.177 -0.677 1.370 1.00 0.00 C ATOM 555 CD2 PHE A 128 -3.742 -0.292 -0.388 1.00 0.00 C ATOM 556 CE1 PHE A 128 -1.182 -0.907 0.439 1.00 0.00 C ATOM 557 CE2 PHE A 128 -2.750 -0.521 -1.324 1.00 0.00 C ATOM 558 CZ PHE A 128 -1.469 -0.829 -0.910 1.00 0.00 C ATOM 0 H PHE A 128 -2.999 -0.398 3.923 1.00 0.00 H new ATOM 0 HA PHE A 128 -3.891 1.881 2.426 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -4.736 -1.038 2.534 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -5.476 0.126 1.453 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -1.947 -0.740 2.423 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -4.742 -0.052 -0.718 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -0.181 -1.147 0.766 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -2.977 -0.459 -2.378 1.00 0.00 H new ATOM 0 HZ PHE A 128 -0.693 -1.009 -1.639 1.00 0.00 H new ATOM 568 N ARG A 129 -6.185 2.413 3.240 1.00 0.00 N ATOM 569 CA ARG A 129 -7.425 2.885 3.843 1.00 0.00 C ATOM 570 C ARG A 129 -8.342 3.462 2.772 1.00 0.00 C ATOM 571 O ARG A 129 -8.073 4.525 2.213 1.00 0.00 O ATOM 572 CB ARG A 129 -7.145 3.940 4.916 1.00 0.00 C ATOM 573 CG ARG A 129 -6.509 3.380 6.171 1.00 0.00 C ATOM 574 CD ARG A 129 -6.339 4.453 7.236 1.00 0.00 C ATOM 575 NE ARG A 129 -5.847 3.903 8.497 1.00 0.00 N ATOM 576 CZ ARG A 129 -6.526 3.029 9.237 1.00 0.00 C ATOM 577 NH1 ARG A 129 -7.727 2.618 8.852 1.00 0.00 N ATOM 578 NH2 ARG A 129 -6.005 2.571 10.366 1.00 0.00 N ATOM 0 H ARG A 129 -5.896 2.939 2.415 1.00 0.00 H new ATOM 0 HA ARG A 129 -7.918 2.036 4.317 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -6.491 4.705 4.498 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -8.081 4.432 5.182 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -7.126 2.571 6.563 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -5.537 2.951 5.927 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -5.645 5.213 6.877 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -7.295 4.949 7.406 1.00 0.00 H new ATOM 0 HE ARG A 129 -4.931 4.206 8.829 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -8.134 2.972 7.986 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -8.244 1.948 9.422 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -5.084 2.888 10.668 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -6.525 1.901 10.933 1.00 0.00 H new ATOM 592 N CYS A 130 -9.418 2.741 2.482 1.00 0.00 N ATOM 593 CA CYS A 130 -10.375 3.161 1.467 1.00 0.00 C ATOM 594 C CYS A 130 -11.478 4.036 2.051 1.00 0.00 C ATOM 595 O CYS A 130 -11.713 4.044 3.259 1.00 0.00 O ATOM 596 CB CYS A 130 -10.975 1.939 0.770 1.00 0.00 C ATOM 597 SG CYS A 130 -9.782 1.041 -0.276 1.00 0.00 S ATOM 0 H CYS A 130 -9.650 1.859 2.938 1.00 0.00 H new ATOM 0 HA CYS A 130 -9.837 3.763 0.735 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -11.370 1.258 1.524 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -11.817 2.258 0.156 1.00 0.00 H new ATOM 602 N ASP A 131 -12.146 4.777 1.170 1.00 0.00 N ATOM 603 CA ASP A 131 -13.230 5.672 1.565 1.00 0.00 C ATOM 604 C ASP A 131 -14.283 4.941 2.398 1.00 0.00 C ATOM 605 O ASP A 131 -14.406 3.720 2.318 1.00 0.00 O ATOM 606 CB ASP A 131 -13.881 6.281 0.321 1.00 0.00 C ATOM 607 CG ASP A 131 -14.417 5.230 -0.633 1.00 0.00 C ATOM 608 OD1 ASP A 131 -14.270 4.026 -0.338 1.00 0.00 O ATOM 609 OD2 ASP A 131 -14.980 5.612 -1.680 1.00 0.00 O ATOM 0 H ASP A 131 -11.953 4.774 0.169 1.00 0.00 H new ATOM 0 HA ASP A 131 -12.805 6.465 2.181 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -14.696 6.938 0.627 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -13.151 6.900 -0.200 1.00 0.00 H new ATOM 614 N PRO A 132 -15.052 5.688 3.217 1.00 0.00 N ATOM 615 CA PRO A 132 -16.102 5.117 4.073 1.00 0.00 C ATOM 616 C PRO A 132 -17.306 4.620 3.273 1.00 0.00 C ATOM 617 O PRO A 132 -18.441 5.032 3.516 1.00 0.00 O ATOM 618 CB PRO A 132 -16.503 6.285 4.974 1.00 0.00 C ATOM 619 CG PRO A 132 -16.176 7.501 4.180 1.00 0.00 C ATOM 620 CD PRO A 132 -14.955 7.153 3.376 1.00 0.00 C ATOM 0 HA PRO A 132 -15.747 4.243 4.619 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -17.563 6.248 5.223 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -15.954 6.266 5.915 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -17.006 7.778 3.530 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -15.984 8.353 4.832 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -14.951 7.662 2.412 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -14.039 7.441 3.892 1.00 0.00 H new ATOM 628 N ASP A 133 -17.047 3.728 2.324 1.00 0.00 N ATOM 629 CA ASP A 133 -18.086 3.157 1.482 1.00 0.00 C ATOM 630 C ASP A 133 -17.656 1.777 1.003 1.00 0.00 C ATOM 631 O ASP A 133 -18.465 0.854 0.914 1.00 0.00 O ATOM 632 CB ASP A 133 -18.372 4.064 0.283 1.00 0.00 C ATOM 633 CG ASP A 133 -18.901 5.423 0.694 1.00 0.00 C ATOM 634 OD1 ASP A 133 -19.973 5.474 1.335 1.00 0.00 O ATOM 635 OD2 ASP A 133 -18.246 6.438 0.375 1.00 0.00 O ATOM 0 H ASP A 133 -16.110 3.382 2.118 1.00 0.00 H new ATOM 0 HA ASP A 133 -19.001 3.068 2.068 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -17.458 4.194 -0.296 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -19.097 3.578 -0.371 1.00 0.00 H new ATOM 640 N PHE A 134 -16.366 1.647 0.714 1.00 0.00 N ATOM 641 CA PHE A 134 -15.800 0.384 0.262 1.00 0.00 C ATOM 642 C PHE A 134 -14.929 -0.211 1.364 1.00 0.00 C ATOM 643 O PHE A 134 -14.128 0.495 1.976 1.00 0.00 O ATOM 644 CB PHE A 134 -14.961 0.588 -1.006 1.00 0.00 C ATOM 645 CG PHE A 134 -15.727 1.154 -2.171 1.00 0.00 C ATOM 646 CD1 PHE A 134 -16.338 2.396 -2.085 1.00 0.00 C ATOM 647 CD2 PHE A 134 -15.837 0.440 -3.353 1.00 0.00 C ATOM 648 CE1 PHE A 134 -17.041 2.914 -3.156 1.00 0.00 C ATOM 649 CE2 PHE A 134 -16.540 0.953 -4.428 1.00 0.00 C ATOM 650 CZ PHE A 134 -17.143 2.191 -4.329 1.00 0.00 C ATOM 0 H PHE A 134 -15.690 2.407 0.786 1.00 0.00 H new ATOM 0 HA PHE A 134 -16.617 -0.300 0.031 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -14.130 1.254 -0.774 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -14.530 -0.369 -1.300 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -16.264 2.965 -1.170 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -15.368 -0.529 -3.436 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -17.510 3.883 -3.076 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -16.617 0.386 -5.344 1.00 0.00 H new ATOM 0 HZ PHE A 134 -17.693 2.593 -5.167 1.00 0.00 H new ATOM 660 N HIS A 135 -15.090 -1.504 1.621 1.00 0.00 N ATOM 661 CA HIS A 135 -14.310 -2.164 2.659 1.00 0.00 C ATOM 662 C HIS A 135 -13.158 -2.961 2.059 1.00 0.00 C ATOM 663 O HIS A 135 -13.333 -3.707 1.092 1.00 0.00 O ATOM 664 CB HIS A 135 -15.200 -3.072 3.514 1.00 0.00 C ATOM 665 CG HIS A 135 -15.975 -4.084 2.731 1.00 0.00 C ATOM 666 ND1 HIS A 135 -16.933 -3.745 1.798 1.00 0.00 N ATOM 667 CD2 HIS A 135 -15.939 -5.438 2.753 1.00 0.00 C ATOM 668 CE1 HIS A 135 -17.452 -4.845 1.281 1.00 0.00 C ATOM 669 NE2 HIS A 135 -16.864 -5.885 1.843 1.00 0.00 N ATOM 0 H HIS A 135 -15.747 -2.110 1.130 1.00 0.00 H new ATOM 0 HA HIS A 135 -13.889 -1.390 3.300 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -14.577 -3.592 4.242 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -15.898 -2.452 4.077 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -15.301 -6.052 3.372 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -18.225 -4.886 0.528 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -17.065 -6.863 1.634 1.00 0.00 H new ATOM 678 N LEU A 136 -11.977 -2.784 2.643 1.00 0.00 N ATOM 679 CA LEU A 136 -10.773 -3.469 2.188 1.00 0.00 C ATOM 680 C LEU A 136 -10.776 -4.924 2.644 1.00 0.00 C ATOM 681 O LEU A 136 -11.011 -5.215 3.817 1.00 0.00 O ATOM 682 CB LEU A 136 -9.538 -2.743 2.721 1.00 0.00 C ATOM 683 CG LEU A 136 -8.191 -3.326 2.292 1.00 0.00 C ATOM 684 CD1 LEU A 136 -8.146 -3.532 0.787 1.00 0.00 C ATOM 685 CD2 LEU A 136 -7.060 -2.414 2.739 1.00 0.00 C ATOM 0 H LEU A 136 -11.828 -2.165 3.440 1.00 0.00 H new ATOM 0 HA LEU A 136 -10.751 -3.458 1.098 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -9.583 -1.703 2.398 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -9.582 -2.741 3.810 1.00 0.00 H new ATOM 0 HG LEU A 136 -8.068 -4.298 2.770 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -7.178 -3.947 0.505 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -8.937 -4.221 0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -8.290 -2.576 0.284 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -6.106 -2.839 2.428 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -7.184 -1.431 2.285 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -7.078 -2.317 3.825 1.00 0.00 H new ATOM 697 N VAL A 137 -10.528 -5.838 1.708 1.00 0.00 N ATOM 698 CA VAL A 137 -10.520 -7.263 2.020 1.00 0.00 C ATOM 699 C VAL A 137 -9.338 -7.978 1.366 1.00 0.00 C ATOM 700 O VAL A 137 -9.528 -8.868 0.537 1.00 0.00 O ATOM 701 CB VAL A 137 -11.827 -7.941 1.556 1.00 0.00 C ATOM 702 CG1 VAL A 137 -11.910 -9.366 2.083 1.00 0.00 C ATOM 703 CG2 VAL A 137 -13.040 -7.132 1.990 1.00 0.00 C ATOM 0 H VAL A 137 -10.331 -5.617 0.732 1.00 0.00 H new ATOM 0 HA VAL A 137 -10.429 -7.343 3.103 1.00 0.00 H new ATOM 0 HB VAL A 137 -11.821 -7.981 0.467 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -12.839 -9.826 1.744 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -11.063 -9.942 1.710 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -11.888 -9.353 3.173 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -13.949 -7.629 1.652 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -13.054 -7.051 3.077 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -12.988 -6.135 1.553 1.00 0.00 H new ATOM 713 N GLY A 138 -8.114 -7.595 1.728 1.00 0.00 N ATOM 714 CA GLY A 138 -6.958 -8.241 1.134 1.00 0.00 C ATOM 715 C GLY A 138 -5.653 -7.874 1.806 1.00 0.00 C ATOM 716 O GLY A 138 -5.572 -7.810 3.032 1.00 0.00 O ATOM 0 H GLY A 138 -7.906 -6.864 2.408 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -7.091 -9.322 1.181 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -6.903 -7.972 0.079 1.00 0.00 H new ATOM 720 N SER A 139 -4.628 -7.642 0.990 1.00 0.00 N ATOM 721 CA SER A 139 -3.309 -7.283 1.482 1.00 0.00 C ATOM 722 C SER A 139 -3.283 -5.839 1.970 1.00 0.00 C ATOM 723 O SER A 139 -2.500 -5.021 1.486 1.00 0.00 O ATOM 724 CB SER A 139 -2.278 -7.483 0.376 1.00 0.00 C ATOM 725 OG SER A 139 -2.187 -8.848 0.004 1.00 0.00 O ATOM 0 H SER A 139 -4.692 -7.698 -0.026 1.00 0.00 H new ATOM 0 HA SER A 139 -3.065 -7.929 2.326 1.00 0.00 H new ATOM 0 HB2 SER A 139 -2.551 -6.884 -0.493 1.00 0.00 H new ATOM 0 HB3 SER A 139 -1.304 -7.129 0.714 1.00 0.00 H new ATOM 0 HG SER A 139 -2.033 -8.914 -0.962 1.00 0.00 H new ATOM 731 N SER A 140 -4.149 -5.538 2.928 1.00 0.00 N ATOM 732 CA SER A 140 -4.247 -4.201 3.491 1.00 0.00 C ATOM 733 C SER A 140 -2.871 -3.676 3.898 1.00 0.00 C ATOM 734 O SER A 140 -2.569 -2.496 3.718 1.00 0.00 O ATOM 735 CB SER A 140 -5.193 -4.221 4.691 1.00 0.00 C ATOM 736 OG SER A 140 -5.351 -2.925 5.242 1.00 0.00 O ATOM 0 H SER A 140 -4.799 -6.211 3.334 1.00 0.00 H new ATOM 0 HA SER A 140 -4.646 -3.528 2.732 1.00 0.00 H new ATOM 0 HB2 SER A 140 -6.164 -4.610 4.385 1.00 0.00 H new ATOM 0 HB3 SER A 140 -4.804 -4.898 5.452 1.00 0.00 H new ATOM 0 HG SER A 140 -5.962 -2.967 6.007 1.00 0.00 H new ATOM 742 N ARG A 141 -2.039 -4.561 4.437 1.00 0.00 N ATOM 743 CA ARG A 141 -0.692 -4.191 4.859 1.00 0.00 C ATOM 744 C ARG A 141 0.343 -4.697 3.855 1.00 0.00 C ATOM 745 O ARG A 141 0.258 -5.834 3.392 1.00 0.00 O ATOM 746 CB ARG A 141 -0.403 -4.757 6.250 1.00 0.00 C ATOM 747 CG ARG A 141 -1.390 -4.289 7.307 1.00 0.00 C ATOM 748 CD ARG A 141 -1.114 -4.929 8.658 1.00 0.00 C ATOM 749 NE ARG A 141 -2.080 -4.504 9.669 1.00 0.00 N ATOM 750 CZ ARG A 141 -2.067 -4.929 10.929 1.00 0.00 C ATOM 751 NH1 ARG A 141 -1.139 -5.784 11.336 1.00 0.00 N ATOM 752 NH2 ARG A 141 -2.984 -4.496 11.784 1.00 0.00 N ATOM 0 H ARG A 141 -2.274 -5.541 4.592 1.00 0.00 H new ATOM 0 HA ARG A 141 -0.627 -3.104 4.901 1.00 0.00 H new ATOM 0 HB2 ARG A 141 -0.421 -5.846 6.203 1.00 0.00 H new ATOM 0 HB3 ARG A 141 0.604 -4.468 6.550 1.00 0.00 H new ATOM 0 HG2 ARG A 141 -1.336 -3.204 7.400 1.00 0.00 H new ATOM 0 HG3 ARG A 141 -2.404 -4.531 6.990 1.00 0.00 H new ATOM 0 HD2 ARG A 141 -1.145 -6.014 8.559 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -0.108 -4.668 8.985 1.00 0.00 H new ATOM 0 HE ARG A 141 -2.806 -3.843 9.392 1.00 0.00 H new ATOM 0 HH11 ARG A 141 -0.431 -6.118 10.682 1.00 0.00 H new ATOM 0 HH12 ARG A 141 -1.133 -6.107 12.303 1.00 0.00 H new ATOM 0 HH21 ARG A 141 -3.699 -3.837 11.475 1.00 0.00 H new ATOM 0 HH22 ARG A 141 -2.974 -4.822 12.751 1.00 0.00 H new ATOM 766 N SER A 142 1.315 -3.852 3.517 1.00 0.00 N ATOM 767 CA SER A 142 2.356 -4.231 2.558 1.00 0.00 C ATOM 768 C SER A 142 3.693 -3.581 2.905 1.00 0.00 C ATOM 769 O SER A 142 3.784 -2.360 3.044 1.00 0.00 O ATOM 770 CB SER A 142 1.939 -3.824 1.143 1.00 0.00 C ATOM 771 OG SER A 142 0.731 -4.462 0.764 1.00 0.00 O ATOM 0 H SER A 142 1.405 -2.906 3.889 1.00 0.00 H new ATOM 0 HA SER A 142 2.478 -5.313 2.607 1.00 0.00 H new ATOM 0 HB2 SER A 142 1.813 -2.742 1.094 1.00 0.00 H new ATOM 0 HB3 SER A 142 2.729 -4.085 0.438 1.00 0.00 H new ATOM 0 HG SER A 142 0.762 -5.405 1.028 1.00 0.00 H new ATOM 777 N VAL A 143 4.731 -4.405 3.032 1.00 0.00 N ATOM 778 CA VAL A 143 6.068 -3.914 3.351 1.00 0.00 C ATOM 779 C VAL A 143 6.962 -3.943 2.114 1.00 0.00 C ATOM 780 O VAL A 143 7.110 -4.981 1.470 1.00 0.00 O ATOM 781 CB VAL A 143 6.724 -4.750 4.467 1.00 0.00 C ATOM 782 CG1 VAL A 143 8.123 -4.236 4.773 1.00 0.00 C ATOM 783 CG2 VAL A 143 5.860 -4.739 5.719 1.00 0.00 C ATOM 0 H VAL A 143 4.671 -5.417 2.919 1.00 0.00 H new ATOM 0 HA VAL A 143 5.959 -2.887 3.700 1.00 0.00 H new ATOM 0 HB VAL A 143 6.810 -5.779 4.119 1.00 0.00 H new ATOM 0 HG11 VAL A 143 8.568 -4.840 5.564 1.00 0.00 H new ATOM 0 HG12 VAL A 143 8.739 -4.301 3.876 1.00 0.00 H new ATOM 0 HG13 VAL A 143 8.066 -3.197 5.099 1.00 0.00 H new ATOM 0 HG21 VAL A 143 6.339 -5.334 6.497 1.00 0.00 H new ATOM 0 HG22 VAL A 143 5.740 -3.714 6.069 1.00 0.00 H new ATOM 0 HG23 VAL A 143 4.882 -5.161 5.490 1.00 0.00 H new ATOM 793 N CYS A 144 7.552 -2.799 1.785 1.00 0.00 N ATOM 794 CA CYS A 144 8.424 -2.700 0.620 1.00 0.00 C ATOM 795 C CYS A 144 9.747 -3.425 0.846 1.00 0.00 C ATOM 796 O CYS A 144 10.221 -3.546 1.976 1.00 0.00 O ATOM 797 CB CYS A 144 8.694 -1.237 0.268 1.00 0.00 C ATOM 798 SG CYS A 144 9.617 -1.017 -1.288 1.00 0.00 S ATOM 0 H CYS A 144 7.443 -1.929 2.307 1.00 0.00 H new ATOM 0 HA CYS A 144 7.907 -3.180 -0.211 1.00 0.00 H new ATOM 0 HB2 CYS A 144 7.743 -0.709 0.194 1.00 0.00 H new ATOM 0 HB3 CYS A 144 9.254 -0.774 1.081 1.00 0.00 H new ATOM 803 N SER A 145 10.339 -3.898 -0.247 1.00 0.00 N ATOM 804 CA SER A 145 11.614 -4.607 -0.198 1.00 0.00 C ATOM 805 C SER A 145 12.168 -4.776 -1.608 1.00 0.00 C ATOM 806 O SER A 145 11.500 -5.334 -2.480 1.00 0.00 O ATOM 807 CB SER A 145 11.442 -5.974 0.468 1.00 0.00 C ATOM 808 OG SER A 145 12.673 -6.673 0.522 1.00 0.00 O ATOM 0 H SER A 145 9.952 -3.802 -1.186 1.00 0.00 H new ATOM 0 HA SER A 145 12.317 -4.021 0.394 1.00 0.00 H new ATOM 0 HB2 SER A 145 11.049 -5.844 1.477 1.00 0.00 H new ATOM 0 HB3 SER A 145 10.710 -6.562 -0.085 1.00 0.00 H new ATOM 0 HG SER A 145 13.266 -6.242 1.173 1.00 0.00 H new ATOM 814 N GLN A 146 13.382 -4.279 -1.832 1.00 0.00 N ATOM 815 CA GLN A 146 14.008 -4.364 -3.146 1.00 0.00 C ATOM 816 C GLN A 146 13.078 -3.760 -4.198 1.00 0.00 C ATOM 817 O GLN A 146 12.887 -4.319 -5.279 1.00 0.00 O ATOM 818 CB GLN A 146 14.337 -5.822 -3.491 1.00 0.00 C ATOM 819 CG GLN A 146 15.152 -5.983 -4.764 1.00 0.00 C ATOM 820 CD GLN A 146 15.458 -7.433 -5.083 1.00 0.00 C ATOM 821 OE1 GLN A 146 14.552 -8.246 -5.263 1.00 0.00 O ATOM 822 NE2 GLN A 146 16.742 -7.766 -5.152 1.00 0.00 N ATOM 0 H GLN A 146 13.949 -3.815 -1.122 1.00 0.00 H new ATOM 0 HA GLN A 146 14.941 -3.801 -3.133 1.00 0.00 H new ATOM 0 HB2 GLN A 146 14.886 -6.267 -2.661 1.00 0.00 H new ATOM 0 HB3 GLN A 146 13.406 -6.380 -3.594 1.00 0.00 H new ATOM 0 HG2 GLN A 146 14.608 -5.539 -5.598 1.00 0.00 H new ATOM 0 HG3 GLN A 146 16.087 -5.432 -4.664 1.00 0.00 H new ATOM 0 HE21 GLN A 146 17.461 -7.060 -4.996 1.00 0.00 H new ATOM 0 HE22 GLN A 146 17.009 -8.728 -5.361 1.00 0.00 H new ATOM 831 N GLY A 147 12.486 -2.620 -3.855 1.00 0.00 N ATOM 832 CA GLY A 147 11.563 -1.953 -4.754 1.00 0.00 C ATOM 833 C GLY A 147 10.397 -2.848 -5.133 1.00 0.00 C ATOM 834 O GLY A 147 9.829 -2.719 -6.216 1.00 0.00 O ATOM 0 H GLY A 147 12.631 -2.144 -2.964 1.00 0.00 H new ATOM 0 HA2 GLY A 147 11.186 -1.046 -4.281 1.00 0.00 H new ATOM 0 HA3 GLY A 147 12.093 -1.645 -5.656 1.00 0.00 H new ATOM 838 N GLN A 148 10.045 -3.755 -4.225 1.00 0.00 N ATOM 839 CA GLN A 148 8.941 -4.686 -4.443 1.00 0.00 C ATOM 840 C GLN A 148 8.130 -4.859 -3.162 1.00 0.00 C ATOM 841 O GLN A 148 8.691 -5.082 -2.090 1.00 0.00 O ATOM 842 CB GLN A 148 9.468 -6.044 -4.912 1.00 0.00 C ATOM 843 CG GLN A 148 10.136 -6.007 -6.277 1.00 0.00 C ATOM 844 CD GLN A 148 9.163 -5.693 -7.398 1.00 0.00 C ATOM 845 OE1 GLN A 148 8.542 -4.631 -7.420 1.00 0.00 O ATOM 846 NE2 GLN A 148 9.025 -6.621 -8.338 1.00 0.00 N ATOM 0 H GLN A 148 10.512 -3.865 -3.325 1.00 0.00 H new ATOM 0 HA GLN A 148 8.295 -4.273 -5.218 1.00 0.00 H new ATOM 0 HB2 GLN A 148 10.182 -6.419 -4.179 1.00 0.00 H new ATOM 0 HB3 GLN A 148 8.641 -6.753 -4.942 1.00 0.00 H new ATOM 0 HG2 GLN A 148 10.928 -5.258 -6.269 1.00 0.00 H new ATOM 0 HG3 GLN A 148 10.609 -6.970 -6.471 1.00 0.00 H new ATOM 0 HE21 GLN A 148 9.559 -7.488 -8.281 1.00 0.00 H new ATOM 0 HE22 GLN A 148 8.385 -6.467 -9.117 1.00 0.00 H new ATOM 855 N TRP A 149 6.812 -4.747 -3.278 1.00 0.00 N ATOM 856 CA TRP A 149 5.931 -4.883 -2.124 1.00 0.00 C ATOM 857 C TRP A 149 5.780 -6.340 -1.701 1.00 0.00 C ATOM 858 O TRP A 149 5.670 -7.234 -2.539 1.00 0.00 O ATOM 859 CB TRP A 149 4.563 -4.274 -2.427 1.00 0.00 C ATOM 860 CG TRP A 149 4.652 -2.842 -2.849 1.00 0.00 C ATOM 861 CD1 TRP A 149 4.775 -2.361 -4.122 1.00 0.00 C ATOM 862 CD2 TRP A 149 4.663 -1.703 -1.987 1.00 0.00 C ATOM 863 NE1 TRP A 149 4.837 -0.989 -4.102 1.00 0.00 N ATOM 864 CE2 TRP A 149 4.774 -0.561 -2.802 1.00 0.00 C ATOM 865 CE3 TRP A 149 4.581 -1.539 -0.604 1.00 0.00 C ATOM 866 CZ2 TRP A 149 4.807 0.727 -2.274 1.00 0.00 C ATOM 867 CZ3 TRP A 149 4.616 -0.262 -0.084 1.00 0.00 C ATOM 868 CH2 TRP A 149 4.727 0.857 -0.917 1.00 0.00 C ATOM 0 H TRP A 149 6.330 -4.563 -4.158 1.00 0.00 H new ATOM 0 HA TRP A 149 6.386 -4.343 -1.294 1.00 0.00 H new ATOM 0 HB2 TRP A 149 4.079 -4.852 -3.214 1.00 0.00 H new ATOM 0 HB3 TRP A 149 3.932 -4.350 -1.542 1.00 0.00 H new ATOM 0 HD1 TRP A 149 4.817 -2.970 -5.013 1.00 0.00 H new ATOM 0 HE1 TRP A 149 4.917 -0.387 -4.921 1.00 0.00 H new ATOM 0 HE3 TRP A 149 4.492 -2.396 0.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 4.893 1.592 -2.915 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 4.557 -0.123 0.985 1.00 0.00 H new ATOM 0 HH2 TRP A 149 4.750 1.843 -0.478 1.00 0.00 H new ATOM 879 N SER A 150 5.781 -6.566 -0.389 1.00 0.00 N ATOM 880 CA SER A 150 5.648 -7.909 0.161 1.00 0.00 C ATOM 881 C SER A 150 4.362 -8.576 -0.317 1.00 0.00 C ATOM 882 O SER A 150 4.398 -9.641 -0.933 1.00 0.00 O ATOM 883 CB SER A 150 5.672 -7.860 1.690 1.00 0.00 C ATOM 884 OG SER A 150 5.530 -9.156 2.245 1.00 0.00 O ATOM 0 H SER A 150 5.873 -5.832 0.313 1.00 0.00 H new ATOM 0 HA SER A 150 6.492 -8.501 -0.193 1.00 0.00 H new ATOM 0 HB2 SER A 150 6.609 -7.417 2.028 1.00 0.00 H new ATOM 0 HB3 SER A 150 4.868 -7.217 2.049 1.00 0.00 H new ATOM 0 HG SER A 150 5.550 -9.097 3.223 1.00 0.00 H new ATOM 890 N THR A 151 3.225 -7.946 -0.027 1.00 0.00 N ATOM 891 CA THR A 151 1.935 -8.492 -0.431 1.00 0.00 C ATOM 892 C THR A 151 1.326 -7.696 -1.586 1.00 0.00 C ATOM 893 O THR A 151 1.318 -6.466 -1.565 1.00 0.00 O ATOM 894 CB THR A 151 0.942 -8.509 0.744 1.00 0.00 C ATOM 895 OG1 THR A 151 0.759 -7.182 1.251 1.00 0.00 O ATOM 896 CG2 THR A 151 1.436 -9.420 1.857 1.00 0.00 C ATOM 0 H THR A 151 3.172 -7.064 0.482 1.00 0.00 H new ATOM 0 HA THR A 151 2.119 -9.514 -0.761 1.00 0.00 H new ATOM 0 HB THR A 151 -0.011 -8.892 0.380 1.00 0.00 H new ATOM 0 HG1 THR A 151 0.637 -7.217 2.223 1.00 0.00 H new ATOM 0 HG21 THR A 151 0.717 -9.416 2.677 1.00 0.00 H new ATOM 0 HG22 THR A 151 1.545 -10.435 1.475 1.00 0.00 H new ATOM 0 HG23 THR A 151 2.400 -9.063 2.218 1.00 0.00 H new ATOM 904 N PRO A 152 0.802 -8.395 -2.613 1.00 0.00 N ATOM 905 CA PRO A 152 0.184 -7.749 -3.778 1.00 0.00 C ATOM 906 C PRO A 152 -0.972 -6.839 -3.381 1.00 0.00 C ATOM 907 O PRO A 152 -1.730 -7.153 -2.465 1.00 0.00 O ATOM 908 CB PRO A 152 -0.328 -8.925 -4.617 1.00 0.00 C ATOM 909 CG PRO A 152 0.479 -10.094 -4.173 1.00 0.00 C ATOM 910 CD PRO A 152 0.767 -9.864 -2.718 1.00 0.00 C ATOM 0 HA PRO A 152 0.889 -7.109 -4.309 1.00 0.00 H new ATOM 0 HB2 PRO A 152 -1.392 -9.094 -4.452 1.00 0.00 H new ATOM 0 HB3 PRO A 152 -0.197 -8.736 -5.683 1.00 0.00 H new ATOM 0 HG2 PRO A 152 -0.068 -11.025 -4.321 1.00 0.00 H new ATOM 0 HG3 PRO A 152 1.402 -10.172 -4.747 1.00 0.00 H new ATOM 0 HD2 PRO A 152 -0.005 -10.295 -2.081 1.00 0.00 H new ATOM 0 HD3 PRO A 152 1.714 -10.312 -2.419 1.00 0.00 H new ATOM 918 N LYS A 153 -1.099 -5.708 -4.069 1.00 0.00 N ATOM 919 CA LYS A 153 -2.162 -4.750 -3.778 1.00 0.00 C ATOM 920 C LYS A 153 -3.528 -5.434 -3.752 1.00 0.00 C ATOM 921 O LYS A 153 -3.914 -6.105 -4.709 1.00 0.00 O ATOM 922 CB LYS A 153 -2.164 -3.630 -4.819 1.00 0.00 C ATOM 923 CG LYS A 153 -3.213 -2.560 -4.559 1.00 0.00 C ATOM 924 CD LYS A 153 -3.218 -1.506 -5.654 1.00 0.00 C ATOM 925 CE LYS A 153 -4.231 -0.411 -5.365 1.00 0.00 C ATOM 926 NZ LYS A 153 -4.281 0.601 -6.456 1.00 0.00 N ATOM 0 H LYS A 153 -0.480 -5.432 -4.831 1.00 0.00 H new ATOM 0 HA LYS A 153 -1.971 -4.326 -2.792 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -1.179 -3.164 -4.841 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -2.334 -4.062 -5.805 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -4.198 -3.023 -4.494 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -3.019 -2.086 -3.597 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -2.224 -1.069 -5.745 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -3.449 -1.974 -6.611 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -5.218 -0.855 -5.236 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -3.977 0.080 -4.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -4.137 1.550 -6.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -3.533 0.401 -7.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -5.208 0.560 -6.925 1.00 0.00 H new ATOM 940 N PRO A 154 -4.283 -5.270 -2.648 1.00 0.00 N ATOM 941 CA PRO A 154 -5.612 -5.873 -2.503 1.00 0.00 C ATOM 942 C PRO A 154 -6.664 -5.177 -3.362 1.00 0.00 C ATOM 943 O PRO A 154 -6.345 -4.606 -4.405 1.00 0.00 O ATOM 944 CB PRO A 154 -5.922 -5.682 -1.018 1.00 0.00 C ATOM 945 CG PRO A 154 -5.148 -4.472 -0.624 1.00 0.00 C ATOM 946 CD PRO A 154 -3.898 -4.484 -1.460 1.00 0.00 C ATOM 0 HA PRO A 154 -5.627 -6.913 -2.828 1.00 0.00 H new ATOM 0 HB2 PRO A 154 -6.990 -5.541 -0.851 1.00 0.00 H new ATOM 0 HB3 PRO A 154 -5.621 -6.552 -0.435 1.00 0.00 H new ATOM 0 HG2 PRO A 154 -5.726 -3.565 -0.801 1.00 0.00 H new ATOM 0 HG3 PRO A 154 -4.906 -4.493 0.439 1.00 0.00 H new ATOM 0 HD2 PRO A 154 -3.587 -3.475 -1.730 1.00 0.00 H new ATOM 0 HD3 PRO A 154 -3.064 -4.943 -0.928 1.00 0.00 H new ATOM 954 N HIS A 155 -7.917 -5.226 -2.918 1.00 0.00 N ATOM 955 CA HIS A 155 -9.009 -4.596 -3.650 1.00 0.00 C ATOM 956 C HIS A 155 -10.155 -4.214 -2.716 1.00 0.00 C ATOM 957 O HIS A 155 -10.583 -5.011 -1.882 1.00 0.00 O ATOM 958 CB HIS A 155 -9.519 -5.529 -4.749 1.00 0.00 C ATOM 959 CG HIS A 155 -10.000 -6.852 -4.239 1.00 0.00 C ATOM 960 ND1 HIS A 155 -9.193 -7.731 -3.546 1.00 0.00 N ATOM 961 CD2 HIS A 155 -11.214 -7.445 -4.323 1.00 0.00 C ATOM 962 CE1 HIS A 155 -9.889 -8.807 -3.229 1.00 0.00 C ATOM 963 NE2 HIS A 155 -11.119 -8.658 -3.688 1.00 0.00 N ATOM 0 H HIS A 155 -8.200 -5.694 -2.057 1.00 0.00 H new ATOM 0 HA HIS A 155 -8.623 -3.684 -4.105 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -10.333 -5.037 -5.282 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -8.720 -5.697 -5.471 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -12.093 -7.039 -4.801 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -9.516 -9.663 -2.687 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -11.875 -9.335 -3.587 1.00 0.00 H new ATOM 972 N CYS A 156 -10.654 -2.992 -2.872 1.00 0.00 N ATOM 973 CA CYS A 156 -11.758 -2.505 -2.052 1.00 0.00 C ATOM 974 C CYS A 156 -13.083 -2.628 -2.795 1.00 0.00 C ATOM 975 O CYS A 156 -13.191 -2.247 -3.961 1.00 0.00 O ATOM 976 CB CYS A 156 -11.513 -1.054 -1.633 1.00 0.00 C ATOM 977 SG CYS A 156 -10.406 -0.887 -0.194 1.00 0.00 S ATOM 0 H CYS A 156 -10.311 -2.320 -3.559 1.00 0.00 H new ATOM 0 HA CYS A 156 -11.813 -3.122 -1.155 1.00 0.00 H new ATOM 0 HB2 CYS A 156 -11.086 -0.509 -2.475 1.00 0.00 H new ATOM 0 HB3 CYS A 156 -12.469 -0.585 -1.402 1.00 0.00 H new ATOM 982 N GLN A 157 -14.088 -3.171 -2.114 1.00 0.00 N ATOM 983 CA GLN A 157 -15.405 -3.353 -2.712 1.00 0.00 C ATOM 984 C GLN A 157 -16.485 -2.680 -1.873 1.00 0.00 C ATOM 985 O GLN A 157 -16.452 -2.733 -0.644 1.00 0.00 O ATOM 986 CB GLN A 157 -15.712 -4.846 -2.866 1.00 0.00 C ATOM 987 CG GLN A 157 -17.083 -5.132 -3.461 1.00 0.00 C ATOM 988 CD GLN A 157 -17.234 -4.652 -4.896 1.00 0.00 C ATOM 989 OE1 GLN A 157 -16.149 -4.155 -5.484 1.00 0.00 O flip ATOM 990 NE2 GLN A 157 -18.316 -4.736 -5.476 1.00 0.00 N flip ATOM 0 H GLN A 157 -14.015 -3.492 -1.149 1.00 0.00 H new ATOM 0 HA GLN A 157 -15.399 -2.886 -3.697 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -14.950 -5.301 -3.498 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -15.643 -5.324 -1.889 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -17.270 -6.205 -3.424 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -17.845 -4.654 -2.845 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -19.126 -5.123 -4.991 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -18.403 -4.419 -6.441 1.00 0.00 H new ATOM 999 N VAL A 158 -17.440 -2.045 -2.545 1.00 0.00 N ATOM 1000 CA VAL A 158 -18.530 -1.357 -1.864 1.00 0.00 C ATOM 1001 C VAL A 158 -19.338 -2.324 -1.004 1.00 0.00 C ATOM 1002 O VAL A 158 -19.682 -3.423 -1.441 1.00 0.00 O ATOM 1003 CB VAL A 158 -19.468 -0.663 -2.872 1.00 0.00 C ATOM 1004 CG1 VAL A 158 -20.052 -1.675 -3.848 1.00 0.00 C ATOM 1005 CG2 VAL A 158 -20.574 0.091 -2.148 1.00 0.00 C ATOM 0 H VAL A 158 -17.481 -1.993 -3.563 1.00 0.00 H new ATOM 0 HA VAL A 158 -18.080 -0.601 -1.221 1.00 0.00 H new ATOM 0 HB VAL A 158 -18.883 0.059 -3.441 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -20.711 -1.165 -4.550 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -19.244 -2.161 -4.395 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -20.620 -2.425 -3.298 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -21.224 0.573 -2.878 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -21.158 -0.607 -1.548 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -20.134 0.848 -1.499 1.00 0.00 H new ATOM 1015 N ASN A 159 -19.636 -1.909 0.225 1.00 0.00 N ATOM 1016 CA ASN A 159 -20.400 -2.738 1.148 1.00 0.00 C ATOM 1017 C ASN A 159 -21.834 -2.920 0.660 1.00 0.00 C ATOM 1018 O ASN A 159 -22.319 -2.043 -0.085 1.00 0.00 O ATOM 1019 CB ASN A 159 -20.397 -2.121 2.549 1.00 0.00 C ATOM 1020 CG ASN A 159 -21.033 -0.744 2.582 1.00 0.00 C ATOM 1021 OD1 ASN A 159 -22.212 -0.583 2.269 1.00 0.00 O ATOM 1022 ND2 ASN A 159 -20.251 0.259 2.965 1.00 0.00 N ATOM 1023 OXT ASN A 159 -22.459 -3.937 1.027 1.00 0.00 O ATOM 0 H ASN A 159 -19.359 -1.003 0.603 1.00 0.00 H new ATOM 0 HA ASN A 159 -19.925 -3.718 1.192 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -20.931 -2.780 3.233 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -19.371 -2.052 2.909 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -20.623 1.208 3.008 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -19.279 0.080 3.216 1.00 0.00 H new