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 139 SER OG : rot -166:sc= -1.92! USER MOD Set 1.2: A 142 SER OG : rot 118:sc= -0.859 USER MOD Set 1.3: A 151 THR OG1 : rot 100:sc= -0.94 USER MOD Single : A 100 SER OG : rot 180:sc= -0.0094 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 137:sc= -1.92! USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 ASN :FLIP amide:sc= -0.369 F(o=-3.1!,f=-0.37) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.196 USER MOD Single : A 135 HIS :FLIP no HD1:sc= -1.36 F(o=-4.2!,f=-1.4) USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 145 SER OG : rot 180:sc= 0 USER MOD Single : A 146 GLN : amide:sc= -0.992 K(o=-0.99,f=-3.2!) USER MOD Single : A 148 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 150 SER OG : rot 180:sc= -0.166 USER MOD Single : A 153 LYS NZ :NH3+ 132:sc= -1.27! (180deg=-5.08!) USER MOD Single : A 155 HIS : no HD1:sc= -0.297 K(o=-0.3,f=-0.99) USER MOD Single : A 157 GLN : amide:sc= -0.765 K(o=-0.76,f=-6.1!) USER MOD Single : A 159 ASN : amide:sc= -0.0158 K(o=-0.016,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 103 N ILE A 98 12.890 2.741 -5.380 1.00 0.00 N ATOM 104 CA ILE A 98 12.033 3.404 -4.400 1.00 0.00 C ATOM 105 C ILE A 98 10.775 2.591 -4.118 1.00 0.00 C ATOM 106 O ILE A 98 9.716 3.153 -3.836 1.00 0.00 O ATOM 107 CB ILE A 98 11.609 4.823 -4.854 1.00 0.00 C ATOM 108 CG1 ILE A 98 11.399 4.873 -6.372 1.00 0.00 C ATOM 109 CG2 ILE A 98 12.626 5.866 -4.416 1.00 0.00 C ATOM 110 CD1 ILE A 98 10.274 3.991 -6.870 1.00 0.00 C ATOM 0 HA ILE A 98 12.630 3.487 -3.492 1.00 0.00 H new ATOM 0 HB ILE A 98 10.660 5.056 -4.372 1.00 0.00 H new ATOM 0 HG12 ILE A 98 11.196 5.903 -6.666 1.00 0.00 H new ATOM 0 HG13 ILE A 98 12.324 4.577 -6.866 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.302 6.852 -4.749 1.00 0.00 H new ATOM 0 HG22 ILE A 98 12.710 5.859 -3.329 1.00 0.00 H new ATOM 0 HG23 ILE A 98 13.596 5.635 -4.856 1.00 0.00 H new ATOM 0 HD11 ILE A 98 10.191 4.084 -7.953 1.00 0.00 H new ATOM 0 HD12 ILE A 98 10.483 2.953 -6.609 1.00 0.00 H new ATOM 0 HD13 ILE A 98 9.337 4.300 -6.407 1.00 0.00 H new ATOM 122 N CYS A 99 10.904 1.270 -4.185 1.00 0.00 N ATOM 123 CA CYS A 99 9.778 0.371 -3.931 1.00 0.00 C ATOM 124 C CYS A 99 8.636 0.648 -4.913 1.00 0.00 C ATOM 125 O CYS A 99 8.476 1.770 -5.391 1.00 0.00 O ATOM 126 CB CYS A 99 9.299 0.524 -2.487 1.00 0.00 C ATOM 127 SG CYS A 99 8.335 -0.892 -1.868 1.00 0.00 S ATOM 0 H CYS A 99 11.777 0.795 -4.413 1.00 0.00 H new ATOM 0 HA CYS A 99 10.110 -0.656 -4.080 1.00 0.00 H new ATOM 0 HB2 CYS A 99 10.165 0.670 -1.842 1.00 0.00 H new ATOM 0 HB3 CYS A 99 8.690 1.425 -2.411 1.00 0.00 H new ATOM 132 N SER A 100 7.857 -0.386 -5.227 1.00 0.00 N ATOM 133 CA SER A 100 6.742 -0.252 -6.169 1.00 0.00 C ATOM 134 C SER A 100 5.999 1.069 -5.966 1.00 0.00 C ATOM 135 O SER A 100 5.563 1.387 -4.860 1.00 0.00 O ATOM 136 CB SER A 100 5.773 -1.424 -6.018 1.00 0.00 C ATOM 137 OG SER A 100 6.418 -2.658 -6.286 1.00 0.00 O ATOM 0 H SER A 100 7.975 -1.324 -4.845 1.00 0.00 H new ATOM 0 HA SER A 100 7.156 -0.258 -7.177 1.00 0.00 H new ATOM 0 HB2 SER A 100 5.366 -1.435 -5.007 1.00 0.00 H new ATOM 0 HB3 SER A 100 4.932 -1.294 -6.699 1.00 0.00 H new ATOM 0 HG SER A 100 5.777 -3.392 -6.181 1.00 0.00 H new ATOM 143 N LYS A 101 5.873 1.837 -7.045 1.00 0.00 N ATOM 144 CA LYS A 101 5.197 3.132 -7.001 1.00 0.00 C ATOM 145 C LYS A 101 3.691 2.985 -7.201 1.00 0.00 C ATOM 146 O LYS A 101 2.908 3.722 -6.604 1.00 0.00 O ATOM 147 CB LYS A 101 5.775 4.060 -8.073 1.00 0.00 C ATOM 148 CG LYS A 101 5.219 5.475 -8.029 1.00 0.00 C ATOM 149 CD LYS A 101 5.585 6.182 -6.732 1.00 0.00 C ATOM 150 CE LYS A 101 7.092 6.320 -6.573 1.00 0.00 C ATOM 151 NZ LYS A 101 7.456 6.995 -5.297 1.00 0.00 N ATOM 0 H LYS A 101 6.232 1.584 -7.966 1.00 0.00 H new ATOM 0 HA LYS A 101 5.365 3.563 -6.014 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.858 4.102 -7.957 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.576 3.632 -9.056 1.00 0.00 H new ATOM 0 HG2 LYS A 101 5.604 6.044 -8.875 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.134 5.444 -8.133 1.00 0.00 H new ATOM 0 HD2 LYS A 101 5.125 7.170 -6.714 1.00 0.00 H new ATOM 0 HD3 LYS A 101 5.179 5.626 -5.887 1.00 0.00 H new ATOM 0 HE2 LYS A 101 7.552 5.333 -6.606 1.00 0.00 H new ATOM 0 HE3 LYS A 101 7.495 6.887 -7.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 8.491 7.070 -5.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 7.038 7.947 -5.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 7.094 6.440 -4.495 1.00 0.00 H new ATOM 165 N SER A 102 3.295 2.046 -8.059 1.00 0.00 N ATOM 166 CA SER A 102 1.880 1.807 -8.357 1.00 0.00 C ATOM 167 C SER A 102 1.129 1.205 -7.164 1.00 0.00 C ATOM 168 O SER A 102 0.292 0.319 -7.336 1.00 0.00 O ATOM 169 CB SER A 102 1.749 0.883 -9.569 1.00 0.00 C ATOM 170 OG SER A 102 2.373 -0.366 -9.330 1.00 0.00 O ATOM 0 H SER A 102 3.937 1.434 -8.563 1.00 0.00 H new ATOM 0 HA SER A 102 1.428 2.774 -8.577 1.00 0.00 H new ATOM 0 HB2 SER A 102 0.695 0.728 -9.799 1.00 0.00 H new ATOM 0 HB3 SER A 102 2.199 1.357 -10.441 1.00 0.00 H new ATOM 0 HG SER A 102 2.273 -0.938 -10.119 1.00 0.00 H new ATOM 176 N TYR A 103 1.424 1.687 -5.961 1.00 0.00 N ATOM 177 CA TYR A 103 0.769 1.191 -4.753 1.00 0.00 C ATOM 178 C TYR A 103 0.201 2.336 -3.921 1.00 0.00 C ATOM 179 O TYR A 103 -0.947 2.287 -3.480 1.00 0.00 O ATOM 180 CB TYR A 103 1.756 0.389 -3.902 1.00 0.00 C ATOM 181 CG TYR A 103 1.969 -1.034 -4.371 1.00 0.00 C ATOM 182 CD1 TYR A 103 2.318 -1.314 -5.686 1.00 0.00 C ATOM 183 CD2 TYR A 103 1.823 -2.100 -3.492 1.00 0.00 C ATOM 184 CE1 TYR A 103 2.516 -2.614 -6.112 1.00 0.00 C ATOM 185 CE2 TYR A 103 2.020 -3.403 -3.909 1.00 0.00 C ATOM 186 CZ TYR A 103 2.365 -3.654 -5.220 1.00 0.00 C ATOM 187 OH TYR A 103 2.561 -4.949 -5.640 1.00 0.00 O ATOM 0 H TYR A 103 2.113 2.421 -5.795 1.00 0.00 H new ATOM 0 HA TYR A 103 -0.052 0.546 -5.066 1.00 0.00 H new ATOM 0 HB2 TYR A 103 2.716 0.905 -3.897 1.00 0.00 H new ATOM 0 HB3 TYR A 103 1.398 0.370 -2.872 1.00 0.00 H new ATOM 0 HD1 TYR A 103 2.437 -0.502 -6.388 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.551 -1.907 -2.465 1.00 0.00 H new ATOM 0 HE1 TYR A 103 2.788 -2.814 -7.138 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.904 -4.220 -3.212 1.00 0.00 H new ATOM 0 HH TYR A 103 3.078 -5.437 -4.965 1.00 0.00 H new ATOM 197 N LEU A 104 1.019 3.360 -3.701 1.00 0.00 N ATOM 198 CA LEU A 104 0.611 4.517 -2.913 1.00 0.00 C ATOM 199 C LEU A 104 -0.674 5.151 -3.449 1.00 0.00 C ATOM 200 O LEU A 104 -1.452 5.728 -2.688 1.00 0.00 O ATOM 201 CB LEU A 104 1.747 5.545 -2.852 1.00 0.00 C ATOM 202 CG LEU A 104 2.579 5.688 -4.130 1.00 0.00 C ATOM 203 CD1 LEU A 104 1.693 6.029 -5.311 1.00 0.00 C ATOM 204 CD2 LEU A 104 3.659 6.741 -3.948 1.00 0.00 C ATOM 0 H LEU A 104 1.973 3.412 -4.059 1.00 0.00 H new ATOM 0 HA LEU A 104 0.396 4.171 -1.902 1.00 0.00 H new ATOM 0 HB2 LEU A 104 1.320 6.518 -2.607 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.414 5.274 -2.034 1.00 0.00 H new ATOM 0 HG LEU A 104 3.062 4.732 -4.333 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.304 6.126 -6.208 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.959 5.236 -5.456 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.178 6.970 -5.119 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.240 6.829 -4.866 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.196 7.701 -3.718 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.317 6.450 -3.129 1.00 0.00 H new ATOM 216 N THR A 105 -0.893 5.044 -4.756 1.00 0.00 N ATOM 217 CA THR A 105 -2.085 5.609 -5.380 1.00 0.00 C ATOM 218 C THR A 105 -3.208 4.579 -5.454 1.00 0.00 C ATOM 219 O THR A 105 -2.992 3.441 -5.868 1.00 0.00 O ATOM 220 CB THR A 105 -1.784 6.135 -6.796 1.00 0.00 C ATOM 221 OG1 THR A 105 -2.981 6.645 -7.396 1.00 0.00 O ATOM 222 CG2 THR A 105 -1.200 5.036 -7.672 1.00 0.00 C ATOM 0 H THR A 105 -0.261 4.572 -5.403 1.00 0.00 H new ATOM 0 HA THR A 105 -2.405 6.443 -4.755 1.00 0.00 H new ATOM 0 HB THR A 105 -1.051 6.937 -6.711 1.00 0.00 H new ATOM 0 HG1 THR A 105 -2.780 6.979 -8.295 1.00 0.00 H new ATOM 0 HG21 THR A 105 -0.996 5.433 -8.666 1.00 0.00 H new ATOM 0 HG22 THR A 105 -0.273 4.672 -7.230 1.00 0.00 H new ATOM 0 HG23 THR A 105 -1.912 4.214 -7.748 1.00 0.00 H new ATOM 230 N LEU A 106 -4.407 4.985 -5.047 1.00 0.00 N ATOM 231 CA LEU A 106 -5.561 4.092 -5.067 1.00 0.00 C ATOM 232 C LEU A 106 -6.844 4.846 -5.395 1.00 0.00 C ATOM 233 O LEU A 106 -7.167 5.848 -4.758 1.00 0.00 O ATOM 234 CB LEU A 106 -5.715 3.392 -3.714 1.00 0.00 C ATOM 235 CG LEU A 106 -6.989 2.554 -3.554 1.00 0.00 C ATOM 236 CD1 LEU A 106 -7.105 1.524 -4.668 1.00 0.00 C ATOM 237 CD2 LEU A 106 -7.011 1.875 -2.192 1.00 0.00 C ATOM 0 H LEU A 106 -4.605 5.924 -4.700 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.388 3.350 -5.846 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.852 2.745 -3.557 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.695 4.147 -2.928 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.847 3.222 -3.622 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -8.017 0.942 -4.532 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -7.139 2.032 -5.632 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.242 0.858 -4.639 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.922 1.284 -2.095 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -6.143 1.222 -2.097 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -6.984 2.632 -1.408 1.00 0.00 H new ATOM 249 N GLU A 107 -7.583 4.342 -6.377 1.00 0.00 N ATOM 250 CA GLU A 107 -8.844 4.955 -6.768 1.00 0.00 C ATOM 251 C GLU A 107 -9.913 4.657 -5.724 1.00 0.00 C ATOM 252 O GLU A 107 -10.094 3.506 -5.326 1.00 0.00 O ATOM 253 CB GLU A 107 -9.293 4.443 -8.139 1.00 0.00 C ATOM 254 CG GLU A 107 -8.384 4.872 -9.277 1.00 0.00 C ATOM 255 CD GLU A 107 -8.834 4.328 -10.619 1.00 0.00 C ATOM 256 OE1 GLU A 107 -8.902 3.090 -10.766 1.00 0.00 O ATOM 257 OE2 GLU A 107 -9.119 5.141 -11.523 1.00 0.00 O ATOM 0 H GLU A 107 -7.330 3.513 -6.915 1.00 0.00 H new ATOM 0 HA GLU A 107 -8.698 6.033 -6.834 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -9.340 3.354 -8.113 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -10.303 4.801 -8.338 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.353 5.961 -9.322 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -7.368 4.533 -9.074 1.00 0.00 H new ATOM 264 N ASN A 108 -10.612 5.696 -5.282 1.00 0.00 N ATOM 265 CA ASN A 108 -11.658 5.539 -4.280 1.00 0.00 C ATOM 266 C ASN A 108 -11.083 4.962 -2.988 1.00 0.00 C ATOM 267 O ASN A 108 -11.713 4.133 -2.331 1.00 0.00 O ATOM 268 CB ASN A 108 -12.769 4.628 -4.813 1.00 0.00 C ATOM 269 CG ASN A 108 -13.383 5.139 -6.107 1.00 0.00 C ATOM 270 OD1 ASN A 108 -12.893 6.274 -6.600 1.00 0.00 O flip ATOM 271 ND2 ASN A 108 -14.292 4.518 -6.658 1.00 0.00 N flip ATOM 0 H ASN A 108 -10.473 6.655 -5.601 1.00 0.00 H new ATOM 0 HA ASN A 108 -12.078 6.522 -4.064 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -12.365 3.629 -4.978 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -13.550 4.535 -4.058 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -14.639 3.651 -6.247 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -14.698 4.870 -7.525 1.00 0.00 H new ATOM 278 N GLY A 109 -9.883 5.409 -2.630 1.00 0.00 N ATOM 279 CA GLY A 109 -9.244 4.924 -1.419 1.00 0.00 C ATOM 280 C GLY A 109 -7.945 5.639 -1.113 1.00 0.00 C ATOM 281 O GLY A 109 -7.260 6.121 -2.015 1.00 0.00 O ATOM 0 H GLY A 109 -9.343 6.097 -3.155 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -9.928 5.047 -0.579 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -9.051 3.856 -1.519 1.00 0.00 H new ATOM 285 N LYS A 110 -7.614 5.701 0.168 1.00 0.00 N ATOM 286 CA LYS A 110 -6.391 6.355 0.620 1.00 0.00 C ATOM 287 C LYS A 110 -5.393 5.331 1.150 1.00 0.00 C ATOM 288 O LYS A 110 -5.764 4.404 1.872 1.00 0.00 O ATOM 289 CB LYS A 110 -6.711 7.387 1.704 1.00 0.00 C ATOM 290 CG LYS A 110 -7.436 6.805 2.907 1.00 0.00 C ATOM 291 CD LYS A 110 -7.721 7.869 3.954 1.00 0.00 C ATOM 292 CE LYS A 110 -8.454 7.288 5.153 1.00 0.00 C ATOM 293 NZ LYS A 110 -8.735 8.322 6.187 1.00 0.00 N ATOM 0 H LYS A 110 -8.178 5.304 0.919 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.942 6.864 -0.233 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.782 7.849 2.039 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -7.322 8.179 1.271 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -8.373 6.351 2.584 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -6.833 6.012 3.348 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -6.784 8.319 4.282 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -8.319 8.666 3.511 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -9.392 6.840 4.823 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -7.856 6.489 5.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -9.235 7.886 6.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -7.839 8.732 6.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -9.327 9.072 5.776 1.00 0.00 H new ATOM 307 N VAL A 111 -4.127 5.496 0.786 1.00 0.00 N ATOM 308 CA VAL A 111 -3.084 4.578 1.222 1.00 0.00 C ATOM 309 C VAL A 111 -2.194 5.213 2.289 1.00 0.00 C ATOM 310 O VAL A 111 -1.652 6.301 2.091 1.00 0.00 O ATOM 311 CB VAL A 111 -2.211 4.128 0.034 1.00 0.00 C ATOM 312 CG1 VAL A 111 -1.130 3.165 0.494 1.00 0.00 C ATOM 313 CG2 VAL A 111 -3.071 3.493 -1.049 1.00 0.00 C ATOM 0 H VAL A 111 -3.799 6.256 0.191 1.00 0.00 H new ATOM 0 HA VAL A 111 -3.583 3.709 1.650 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.724 5.008 -0.386 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -0.526 2.861 -0.361 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.494 3.656 1.231 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -1.593 2.286 0.943 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -2.438 3.181 -1.880 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -3.588 2.624 -0.641 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -3.804 4.218 -1.403 1.00 0.00 H new ATOM 323 N PHE A 112 -2.046 4.521 3.418 1.00 0.00 N ATOM 324 CA PHE A 112 -1.217 5.006 4.519 1.00 0.00 C ATOM 325 C PHE A 112 0.262 4.748 4.245 1.00 0.00 C ATOM 326 O PHE A 112 0.927 4.037 5.000 1.00 0.00 O ATOM 327 CB PHE A 112 -1.626 4.344 5.840 1.00 0.00 C ATOM 328 CG PHE A 112 -2.935 4.836 6.395 1.00 0.00 C ATOM 329 CD1 PHE A 112 -4.071 4.888 5.603 1.00 0.00 C ATOM 330 CD2 PHE A 112 -3.026 5.247 7.716 1.00 0.00 C ATOM 331 CE1 PHE A 112 -5.272 5.339 6.117 1.00 0.00 C ATOM 332 CE2 PHE A 112 -4.224 5.699 8.235 1.00 0.00 C ATOM 333 CZ PHE A 112 -5.349 5.745 7.435 1.00 0.00 C ATOM 0 H PHE A 112 -2.491 3.620 3.594 1.00 0.00 H new ATOM 0 HA PHE A 112 -1.373 6.082 4.601 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -1.690 3.266 5.689 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -0.843 4.517 6.578 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -4.017 4.572 4.572 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -2.150 5.213 8.347 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -6.150 5.374 5.489 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -4.281 6.016 9.266 1.00 0.00 H new ATOM 0 HZ PHE A 112 -6.287 6.098 7.839 1.00 0.00 H new ATOM 343 N LEU A 113 0.767 5.325 3.160 1.00 0.00 N ATOM 344 CA LEU A 113 2.165 5.156 2.780 1.00 0.00 C ATOM 345 C LEU A 113 3.098 5.635 3.888 1.00 0.00 C ATOM 346 O LEU A 113 2.842 6.648 4.539 1.00 0.00 O ATOM 347 CB LEU A 113 2.459 5.915 1.484 1.00 0.00 C ATOM 348 CG LEU A 113 3.917 5.863 1.012 1.00 0.00 C ATOM 349 CD1 LEU A 113 4.357 4.425 0.786 1.00 0.00 C ATOM 350 CD2 LEU A 113 4.094 6.680 -0.259 1.00 0.00 C ATOM 0 H LEU A 113 0.228 5.915 2.527 1.00 0.00 H new ATOM 0 HA LEU A 113 2.343 4.093 2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.824 5.513 0.695 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.175 6.959 1.621 1.00 0.00 H new ATOM 0 HG LEU A 113 4.545 6.295 1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.394 4.410 0.451 1.00 0.00 H new ATOM 0 HD12 LEU A 113 4.268 3.867 1.718 1.00 0.00 H new ATOM 0 HD13 LEU A 113 3.724 3.966 0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 113 5.135 6.632 -0.580 1.00 0.00 H new ATOM 0 HD22 LEU A 113 3.453 6.276 -1.043 1.00 0.00 H new ATOM 0 HD23 LEU A 113 3.821 7.717 -0.066 1.00 0.00 H new ATOM 362 N THR A 114 4.184 4.897 4.087 1.00 0.00 N ATOM 363 CA THR A 114 5.173 5.231 5.105 1.00 0.00 C ATOM 364 C THR A 114 6.525 4.632 4.730 1.00 0.00 C ATOM 365 O THR A 114 7.133 3.883 5.498 1.00 0.00 O ATOM 366 CB THR A 114 4.745 4.729 6.501 1.00 0.00 C ATOM 367 OG1 THR A 114 3.427 5.200 6.807 1.00 0.00 O ATOM 368 CG2 THR A 114 5.713 5.206 7.575 1.00 0.00 C ATOM 0 H THR A 114 4.403 4.057 3.552 1.00 0.00 H new ATOM 0 HA THR A 114 5.252 6.317 5.151 1.00 0.00 H new ATOM 0 HB THR A 114 4.753 3.639 6.484 1.00 0.00 H new ATOM 0 HG1 THR A 114 3.162 4.876 7.693 1.00 0.00 H new ATOM 0 HG21 THR A 114 5.387 4.838 8.548 1.00 0.00 H new ATOM 0 HG22 THR A 114 6.712 4.826 7.359 1.00 0.00 H new ATOM 0 HG23 THR A 114 5.734 6.296 7.588 1.00 0.00 H new ATOM 376 N GLY A 115 6.983 4.968 3.527 1.00 0.00 N ATOM 377 CA GLY A 115 8.248 4.469 3.035 1.00 0.00 C ATOM 378 C GLY A 115 8.429 4.751 1.557 1.00 0.00 C ATOM 379 O GLY A 115 7.884 4.042 0.711 1.00 0.00 O ATOM 0 H GLY A 115 6.491 5.585 2.880 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.062 4.929 3.595 1.00 0.00 H new ATOM 0 HA3 GLY A 115 8.308 3.395 3.210 1.00 0.00 H new ATOM 383 N GLY A 116 9.189 5.795 1.246 1.00 0.00 N ATOM 384 CA GLY A 116 9.419 6.160 -0.141 1.00 0.00 C ATOM 385 C GLY A 116 10.571 7.133 -0.309 1.00 0.00 C ATOM 386 O GLY A 116 10.861 7.919 0.594 1.00 0.00 O ATOM 0 H GLY A 116 9.650 6.396 1.929 1.00 0.00 H new ATOM 0 HA2 GLY A 116 9.623 5.259 -0.720 1.00 0.00 H new ATOM 0 HA3 GLY A 116 8.512 6.604 -0.551 1.00 0.00 H new ATOM 390 N ASP A 117 11.224 7.069 -1.471 1.00 0.00 N ATOM 391 CA ASP A 117 12.361 7.937 -1.789 1.00 0.00 C ATOM 392 C ASP A 117 13.630 7.457 -1.084 1.00 0.00 C ATOM 393 O ASP A 117 14.417 8.258 -0.578 1.00 0.00 O ATOM 394 CB ASP A 117 12.058 9.393 -1.414 1.00 0.00 C ATOM 395 CG ASP A 117 13.151 10.348 -1.853 1.00 0.00 C ATOM 396 OD1 ASP A 117 13.416 10.428 -3.070 1.00 0.00 O ATOM 397 OD2 ASP A 117 13.743 11.016 -0.979 1.00 0.00 O ATOM 0 H ASP A 117 10.981 6.416 -2.216 1.00 0.00 H new ATOM 0 HA ASP A 117 12.528 7.887 -2.865 1.00 0.00 H new ATOM 0 HB2 ASP A 117 11.114 9.693 -1.870 1.00 0.00 H new ATOM 0 HB3 ASP A 117 11.928 9.467 -0.334 1.00 0.00 H new ATOM 402 N LEU A 118 13.823 6.140 -1.069 1.00 0.00 N ATOM 403 CA LEU A 118 14.993 5.532 -0.443 1.00 0.00 C ATOM 404 C LEU A 118 15.450 4.312 -1.236 1.00 0.00 C ATOM 405 O LEU A 118 14.640 3.649 -1.882 1.00 0.00 O ATOM 406 CB LEU A 118 14.699 5.113 1.007 1.00 0.00 C ATOM 407 CG LEU A 118 14.610 6.244 2.043 1.00 0.00 C ATOM 408 CD1 LEU A 118 15.797 7.188 1.910 1.00 0.00 C ATOM 409 CD2 LEU A 118 13.301 7.005 1.909 1.00 0.00 C ATOM 0 H LEU A 118 13.178 5.469 -1.487 1.00 0.00 H new ATOM 0 HA LEU A 118 15.785 6.281 -0.436 1.00 0.00 H new ATOM 0 HB2 LEU A 118 13.757 4.564 1.019 1.00 0.00 H new ATOM 0 HB3 LEU A 118 15.477 4.419 1.326 1.00 0.00 H new ATOM 0 HG LEU A 118 14.638 5.795 3.036 1.00 0.00 H new ATOM 0 HD11 LEU A 118 15.715 7.982 2.652 1.00 0.00 H new ATOM 0 HD12 LEU A 118 16.722 6.634 2.071 1.00 0.00 H new ATOM 0 HD13 LEU A 118 15.805 7.625 0.911 1.00 0.00 H new ATOM 0 HD21 LEU A 118 13.264 7.800 2.654 1.00 0.00 H new ATOM 0 HD22 LEU A 118 13.233 7.439 0.912 1.00 0.00 H new ATOM 0 HD23 LEU A 118 12.466 6.322 2.065 1.00 0.00 H new ATOM 421 N PRO A 119 16.760 4.003 -1.197 1.00 0.00 N ATOM 422 CA PRO A 119 17.329 2.855 -1.914 1.00 0.00 C ATOM 423 C PRO A 119 16.639 1.546 -1.545 1.00 0.00 C ATOM 424 O PRO A 119 17.138 0.786 -0.714 1.00 0.00 O ATOM 425 CB PRO A 119 18.799 2.830 -1.472 1.00 0.00 C ATOM 426 CG PRO A 119 18.867 3.713 -0.270 1.00 0.00 C ATOM 427 CD PRO A 119 17.789 4.740 -0.452 1.00 0.00 C ATOM 0 HA PRO A 119 17.205 2.953 -2.992 1.00 0.00 H new ATOM 0 HB2 PRO A 119 19.120 1.816 -1.233 1.00 0.00 H new ATOM 0 HB3 PRO A 119 19.454 3.194 -2.264 1.00 0.00 H new ATOM 0 HG2 PRO A 119 18.711 3.141 0.644 1.00 0.00 H new ATOM 0 HG3 PRO A 119 19.846 4.185 -0.187 1.00 0.00 H new ATOM 0 HD2 PRO A 119 17.413 5.105 0.504 1.00 0.00 H new ATOM 0 HD3 PRO A 119 18.146 5.608 -1.007 1.00 0.00 H new ATOM 435 N ALA A 120 15.484 1.298 -2.167 1.00 0.00 N ATOM 436 CA ALA A 120 14.698 0.092 -1.913 1.00 0.00 C ATOM 437 C ALA A 120 13.999 0.162 -0.559 1.00 0.00 C ATOM 438 O ALA A 120 12.858 -0.282 -0.418 1.00 0.00 O ATOM 439 CB ALA A 120 15.572 -1.151 -1.999 1.00 0.00 C ATOM 0 H ALA A 120 15.070 1.925 -2.857 1.00 0.00 H new ATOM 0 HA ALA A 120 13.931 0.028 -2.685 1.00 0.00 H new ATOM 0 HB1 ALA A 120 14.966 -2.036 -1.806 1.00 0.00 H new ATOM 0 HB2 ALA A 120 16.009 -1.220 -2.995 1.00 0.00 H new ATOM 0 HB3 ALA A 120 16.368 -1.088 -1.257 1.00 0.00 H new ATOM 445 N LEU A 121 14.685 0.723 0.434 1.00 0.00 N ATOM 446 CA LEU A 121 14.131 0.854 1.773 1.00 0.00 C ATOM 447 C LEU A 121 13.681 -0.501 2.306 1.00 0.00 C ATOM 448 O LEU A 121 12.499 -0.840 2.253 1.00 0.00 O ATOM 449 CB LEU A 121 12.962 1.843 1.773 1.00 0.00 C ATOM 450 CG LEU A 121 12.511 2.303 3.160 1.00 0.00 C ATOM 451 CD1 LEU A 121 13.691 2.864 3.938 1.00 0.00 C ATOM 452 CD2 LEU A 121 11.406 3.341 3.041 1.00 0.00 C ATOM 0 H LEU A 121 15.629 1.095 0.332 1.00 0.00 H new ATOM 0 HA LEU A 121 14.912 1.238 2.430 1.00 0.00 H new ATOM 0 HB2 LEU A 121 13.246 2.719 1.190 1.00 0.00 H new ATOM 0 HB3 LEU A 121 12.115 1.382 1.265 1.00 0.00 H new ATOM 0 HG LEU A 121 12.117 1.444 3.702 1.00 0.00 H new ATOM 0 HD11 LEU A 121 13.356 3.188 4.923 1.00 0.00 H new ATOM 0 HD12 LEU A 121 14.453 2.093 4.049 1.00 0.00 H new ATOM 0 HD13 LEU A 121 14.111 3.714 3.400 1.00 0.00 H new ATOM 0 HD21 LEU A 121 11.096 3.658 4.037 1.00 0.00 H new ATOM 0 HD22 LEU A 121 11.774 4.202 2.484 1.00 0.00 H new ATOM 0 HD23 LEU A 121 10.554 2.907 2.517 1.00 0.00 H new ATOM 464 N ASP A 122 14.640 -1.274 2.808 1.00 0.00 N ATOM 465 CA ASP A 122 14.360 -2.600 3.350 1.00 0.00 C ATOM 466 C ASP A 122 13.690 -2.505 4.722 1.00 0.00 C ATOM 467 O ASP A 122 14.097 -3.173 5.673 1.00 0.00 O ATOM 468 CB ASP A 122 15.658 -3.409 3.446 1.00 0.00 C ATOM 469 CG ASP A 122 15.430 -4.826 3.937 1.00 0.00 C ATOM 470 OD1 ASP A 122 14.690 -5.574 3.265 1.00 0.00 O ATOM 471 OD2 ASP A 122 15.993 -5.188 4.990 1.00 0.00 O ATOM 0 H ASP A 122 15.622 -1.003 2.851 1.00 0.00 H new ATOM 0 HA ASP A 122 13.671 -3.108 2.675 1.00 0.00 H new ATOM 0 HB2 ASP A 122 16.135 -3.441 2.466 1.00 0.00 H new ATOM 0 HB3 ASP A 122 16.348 -2.902 4.120 1.00 0.00 H new ATOM 476 N GLY A 123 12.657 -1.674 4.815 1.00 0.00 N ATOM 477 CA GLY A 123 11.943 -1.509 6.064 1.00 0.00 C ATOM 478 C GLY A 123 10.776 -0.548 5.939 1.00 0.00 C ATOM 479 O GLY A 123 10.361 0.066 6.921 1.00 0.00 O ATOM 0 H GLY A 123 12.302 -1.110 4.043 1.00 0.00 H new ATOM 0 HA2 GLY A 123 11.577 -2.479 6.401 1.00 0.00 H new ATOM 0 HA3 GLY A 123 12.631 -1.144 6.827 1.00 0.00 H new ATOM 483 N ALA A 124 10.242 -0.430 4.727 1.00 0.00 N ATOM 484 CA ALA A 124 9.108 0.451 4.472 1.00 0.00 C ATOM 485 C ALA A 124 7.804 -0.216 4.891 1.00 0.00 C ATOM 486 O ALA A 124 7.635 -1.423 4.722 1.00 0.00 O ATOM 487 CB ALA A 124 9.059 0.841 3.003 1.00 0.00 C ATOM 0 H ALA A 124 10.577 -0.934 3.906 1.00 0.00 H new ATOM 0 HA ALA A 124 9.235 1.356 5.067 1.00 0.00 H new ATOM 0 HB1 ALA A 124 8.207 1.498 2.829 1.00 0.00 H new ATOM 0 HB2 ALA A 124 9.979 1.360 2.733 1.00 0.00 H new ATOM 0 HB3 ALA A 124 8.956 -0.056 2.392 1.00 0.00 H new ATOM 493 N ARG A 125 6.889 0.571 5.447 1.00 0.00 N ATOM 494 CA ARG A 125 5.606 0.041 5.898 1.00 0.00 C ATOM 495 C ARG A 125 4.447 0.897 5.398 1.00 0.00 C ATOM 496 O ARG A 125 4.591 2.101 5.201 1.00 0.00 O ATOM 497 CB ARG A 125 5.573 -0.040 7.424 1.00 0.00 C ATOM 498 CG ARG A 125 6.612 -0.984 8.008 1.00 0.00 C ATOM 499 CD ARG A 125 6.550 -1.012 9.527 1.00 0.00 C ATOM 500 NE ARG A 125 5.225 -1.386 10.018 1.00 0.00 N ATOM 501 CZ ARG A 125 4.650 -2.562 9.778 1.00 0.00 C ATOM 502 NH1 ARG A 125 5.285 -3.487 9.070 1.00 0.00 N ATOM 503 NH2 ARG A 125 3.436 -2.815 10.251 1.00 0.00 N ATOM 0 H ARG A 125 7.010 1.573 5.596 1.00 0.00 H new ATOM 0 HA ARG A 125 5.494 -0.960 5.483 1.00 0.00 H new ATOM 0 HB2 ARG A 125 5.729 0.957 7.835 1.00 0.00 H new ATOM 0 HB3 ARG A 125 4.582 -0.364 7.741 1.00 0.00 H new ATOM 0 HG2 ARG A 125 6.452 -1.989 7.618 1.00 0.00 H new ATOM 0 HG3 ARG A 125 7.607 -0.673 7.689 1.00 0.00 H new ATOM 0 HD2 ARG A 125 7.289 -1.718 9.906 1.00 0.00 H new ATOM 0 HD3 ARG A 125 6.817 -0.030 9.918 1.00 0.00 H new ATOM 0 HE ARG A 125 4.711 -0.706 10.578 1.00 0.00 H new ATOM 0 HH11 ARG A 125 6.219 -3.299 8.706 1.00 0.00 H new ATOM 0 HH12 ARG A 125 4.839 -4.386 8.889 1.00 0.00 H new ATOM 0 HH21 ARG A 125 2.944 -2.108 10.798 1.00 0.00 H new ATOM 0 HH22 ARG A 125 2.995 -3.716 10.067 1.00 0.00 H new ATOM 517 N VAL A 126 3.295 0.261 5.198 1.00 0.00 N ATOM 518 CA VAL A 126 2.107 0.963 4.726 1.00 0.00 C ATOM 519 C VAL A 126 0.839 0.247 5.153 1.00 0.00 C ATOM 520 O VAL A 126 0.848 -0.950 5.447 1.00 0.00 O ATOM 521 CB VAL A 126 2.096 1.114 3.196 1.00 0.00 C ATOM 522 CG1 VAL A 126 2.143 -0.247 2.525 1.00 0.00 C ATOM 523 CG2 VAL A 126 0.878 1.897 2.735 1.00 0.00 C ATOM 0 H VAL A 126 3.160 -0.738 5.356 1.00 0.00 H new ATOM 0 HA VAL A 126 2.140 1.954 5.178 1.00 0.00 H new ATOM 0 HB VAL A 126 2.986 1.673 2.905 1.00 0.00 H new ATOM 0 HG11 VAL A 126 2.134 -0.119 1.443 1.00 0.00 H new ATOM 0 HG12 VAL A 126 3.053 -0.768 2.822 1.00 0.00 H new ATOM 0 HG13 VAL A 126 1.275 -0.832 2.828 1.00 0.00 H new ATOM 0 HG21 VAL A 126 0.895 1.989 1.649 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -0.028 1.374 3.041 1.00 0.00 H new ATOM 0 HG23 VAL A 126 0.893 2.890 3.184 1.00 0.00 H new ATOM 533 N GLU A 127 -0.250 0.996 5.178 1.00 0.00 N ATOM 534 CA GLU A 127 -1.548 0.458 5.567 1.00 0.00 C ATOM 535 C GLU A 127 -2.651 0.957 4.637 1.00 0.00 C ATOM 536 O GLU A 127 -3.270 1.989 4.889 1.00 0.00 O ATOM 537 CB GLU A 127 -1.868 0.845 7.013 1.00 0.00 C ATOM 538 CG GLU A 127 -3.195 0.295 7.513 1.00 0.00 C ATOM 539 CD GLU A 127 -3.494 0.706 8.941 1.00 0.00 C ATOM 540 OE1 GLU A 127 -3.582 1.926 9.202 1.00 0.00 O ATOM 541 OE2 GLU A 127 -3.643 -0.189 9.799 1.00 0.00 O ATOM 0 H GLU A 127 -0.263 1.986 4.932 1.00 0.00 H new ATOM 0 HA GLU A 127 -1.501 -0.628 5.488 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -1.069 0.486 7.661 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -1.881 1.932 7.095 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -3.997 0.644 6.863 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -3.181 -0.793 7.447 1.00 0.00 H new ATOM 548 N PHE A 128 -2.893 0.210 3.564 1.00 0.00 N ATOM 549 CA PHE A 128 -3.924 0.570 2.595 1.00 0.00 C ATOM 550 C PHE A 128 -5.291 0.652 3.267 1.00 0.00 C ATOM 551 O PHE A 128 -5.564 -0.069 4.227 1.00 0.00 O ATOM 552 CB PHE A 128 -3.975 -0.450 1.452 1.00 0.00 C ATOM 553 CG PHE A 128 -2.717 -0.524 0.629 1.00 0.00 C ATOM 554 CD1 PHE A 128 -1.518 -0.923 1.196 1.00 0.00 C ATOM 555 CD2 PHE A 128 -2.741 -0.203 -0.719 1.00 0.00 C ATOM 556 CE1 PHE A 128 -0.366 -0.999 0.436 1.00 0.00 C ATOM 557 CE2 PHE A 128 -1.593 -0.278 -1.485 1.00 0.00 C ATOM 558 CZ PHE A 128 -0.404 -0.675 -0.906 1.00 0.00 C ATOM 0 H PHE A 128 -2.389 -0.649 3.343 1.00 0.00 H new ATOM 0 HA PHE A 128 -3.670 1.548 2.186 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -4.180 -1.436 1.870 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -4.810 -0.202 0.796 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -1.483 -1.178 2.245 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -3.668 0.110 -1.176 1.00 0.00 H new ATOM 0 HE1 PHE A 128 0.562 -1.311 0.891 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -1.626 -0.026 -2.535 1.00 0.00 H new ATOM 0 HZ PHE A 128 0.495 -0.732 -1.502 1.00 0.00 H new ATOM 568 N ARG A 129 -6.148 1.533 2.758 1.00 0.00 N ATOM 569 CA ARG A 129 -7.487 1.702 3.311 1.00 0.00 C ATOM 570 C ARG A 129 -8.410 2.360 2.288 1.00 0.00 C ATOM 571 O ARG A 129 -8.080 3.398 1.718 1.00 0.00 O ATOM 572 CB ARG A 129 -7.429 2.550 4.584 1.00 0.00 C ATOM 573 CG ARG A 129 -8.720 2.536 5.388 1.00 0.00 C ATOM 574 CD ARG A 129 -8.983 1.163 5.988 1.00 0.00 C ATOM 575 NE ARG A 129 -10.210 1.131 6.779 1.00 0.00 N ATOM 576 CZ ARG A 129 -11.427 1.289 6.266 1.00 0.00 C ATOM 577 NH1 ARG A 129 -11.582 1.462 4.961 1.00 0.00 N ATOM 578 NH2 ARG A 129 -12.489 1.265 7.057 1.00 0.00 N ATOM 0 H ARG A 129 -5.939 2.139 1.965 1.00 0.00 H new ATOM 0 HA ARG A 129 -7.885 0.718 3.557 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -6.616 2.189 5.213 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -7.191 3.579 4.314 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -8.663 3.278 6.184 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -9.554 2.820 4.746 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -9.050 0.426 5.188 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -8.140 0.876 6.617 1.00 0.00 H new ATOM 0 HE ARG A 129 -10.129 0.978 7.784 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -10.767 1.474 4.348 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -12.516 1.583 4.570 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -12.374 1.125 8.061 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -13.422 1.386 6.662 1.00 0.00 H new ATOM 592 N CYS A 130 -9.564 1.743 2.054 1.00 0.00 N ATOM 593 CA CYS A 130 -10.528 2.265 1.090 1.00 0.00 C ATOM 594 C CYS A 130 -11.498 3.240 1.749 1.00 0.00 C ATOM 595 O CYS A 130 -11.803 3.121 2.936 1.00 0.00 O ATOM 596 CB CYS A 130 -11.301 1.119 0.438 1.00 0.00 C ATOM 597 SG CYS A 130 -12.348 1.639 -0.957 1.00 0.00 S ATOM 0 H CYS A 130 -9.855 0.882 2.518 1.00 0.00 H new ATOM 0 HA CYS A 130 -9.973 2.805 0.322 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -10.593 0.368 0.088 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -11.927 0.640 1.191 1.00 0.00 H new ATOM 602 N ASP A 131 -11.984 4.206 0.970 1.00 0.00 N ATOM 603 CA ASP A 131 -12.926 5.203 1.476 1.00 0.00 C ATOM 604 C ASP A 131 -14.136 4.541 2.135 1.00 0.00 C ATOM 605 O ASP A 131 -14.459 3.390 1.841 1.00 0.00 O ATOM 606 CB ASP A 131 -13.389 6.123 0.344 1.00 0.00 C ATOM 607 CG ASP A 131 -12.288 7.046 -0.140 1.00 0.00 C ATOM 608 OD1 ASP A 131 -11.741 7.804 0.689 1.00 0.00 O ATOM 609 OD2 ASP A 131 -11.977 7.018 -1.349 1.00 0.00 O ATOM 0 H ASP A 131 -11.741 4.319 -0.014 1.00 0.00 H new ATOM 0 HA ASP A 131 -12.408 5.795 2.230 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -13.744 5.518 -0.490 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -14.234 6.720 0.687 1.00 0.00 H new ATOM 614 N PRO A 132 -14.820 5.267 3.044 1.00 0.00 N ATOM 615 CA PRO A 132 -16.000 4.754 3.753 1.00 0.00 C ATOM 616 C PRO A 132 -16.985 4.050 2.825 1.00 0.00 C ATOM 617 O PRO A 132 -16.932 4.221 1.606 1.00 0.00 O ATOM 618 CB PRO A 132 -16.626 6.016 4.342 1.00 0.00 C ATOM 619 CG PRO A 132 -15.472 6.931 4.564 1.00 0.00 C ATOM 620 CD PRO A 132 -14.496 6.649 3.454 1.00 0.00 C ATOM 0 HA PRO A 132 -15.734 4.002 4.496 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -17.355 6.454 3.660 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -17.149 5.803 5.274 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -15.792 7.973 4.546 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -15.016 6.754 5.538 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -14.616 7.350 2.628 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -13.465 6.733 3.797 1.00 0.00 H new ATOM 628 N ASP A 133 -17.872 3.248 3.417 1.00 0.00 N ATOM 629 CA ASP A 133 -18.873 2.490 2.664 1.00 0.00 C ATOM 630 C ASP A 133 -18.242 1.259 2.020 1.00 0.00 C ATOM 631 O ASP A 133 -18.860 0.198 1.948 1.00 0.00 O ATOM 632 CB ASP A 133 -19.545 3.361 1.598 1.00 0.00 C ATOM 633 CG ASP A 133 -20.263 4.558 2.193 1.00 0.00 C ATOM 634 OD1 ASP A 133 -20.232 4.714 3.432 1.00 0.00 O ATOM 635 OD2 ASP A 133 -20.856 5.338 1.419 1.00 0.00 O ATOM 0 H ASP A 133 -17.917 3.106 4.426 1.00 0.00 H new ATOM 0 HA ASP A 133 -19.640 2.164 3.367 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -18.793 3.708 0.890 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -20.257 2.757 1.036 1.00 0.00 H new ATOM 640 N PHE A 134 -17.002 1.404 1.565 1.00 0.00 N ATOM 641 CA PHE A 134 -16.283 0.300 0.943 1.00 0.00 C ATOM 642 C PHE A 134 -15.194 -0.206 1.883 1.00 0.00 C ATOM 643 O PHE A 134 -14.389 0.576 2.388 1.00 0.00 O ATOM 644 CB PHE A 134 -15.658 0.740 -0.386 1.00 0.00 C ATOM 645 CG PHE A 134 -16.652 1.232 -1.403 1.00 0.00 C ATOM 646 CD1 PHE A 134 -17.453 2.334 -1.141 1.00 0.00 C ATOM 647 CD2 PHE A 134 -16.778 0.595 -2.627 1.00 0.00 C ATOM 648 CE1 PHE A 134 -18.360 2.787 -2.079 1.00 0.00 C ATOM 649 CE2 PHE A 134 -17.683 1.045 -3.569 1.00 0.00 C ATOM 650 CZ PHE A 134 -18.476 2.143 -3.295 1.00 0.00 C ATOM 0 H PHE A 134 -16.475 2.276 1.616 1.00 0.00 H new ATOM 0 HA PHE A 134 -16.992 -0.504 0.744 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -14.934 1.531 -0.190 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -15.106 -0.099 -0.810 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -17.366 2.844 -0.193 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -16.161 -0.264 -2.847 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -18.979 3.645 -1.861 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -17.771 0.539 -4.519 1.00 0.00 H new ATOM 0 HZ PHE A 134 -19.184 2.496 -4.030 1.00 0.00 H new ATOM 660 N HIS A 135 -15.173 -1.514 2.119 1.00 0.00 N ATOM 661 CA HIS A 135 -14.178 -2.104 3.006 1.00 0.00 C ATOM 662 C HIS A 135 -13.070 -2.796 2.218 1.00 0.00 C ATOM 663 O HIS A 135 -13.328 -3.490 1.234 1.00 0.00 O ATOM 664 CB HIS A 135 -14.833 -3.087 3.988 1.00 0.00 C ATOM 665 CG HIS A 135 -15.624 -4.188 3.342 1.00 0.00 C ATOM 666 ND1 HIS A 135 -15.902 -4.448 2.041 1.00 0.00 N flip ATOM 667 CD2 HIS A 135 -16.244 -5.186 4.066 1.00 0.00 C flip ATOM 668 CE1 HIS A 135 -16.674 -5.582 2.007 1.00 0.00 C flip ATOM 669 NE2 HIS A 135 -16.865 -6.009 3.240 1.00 0.00 N flip ATOM 0 H HIS A 135 -15.829 -2.181 1.712 1.00 0.00 H new ATOM 0 HA HIS A 135 -13.727 -1.293 3.578 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -14.055 -3.533 4.607 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -15.491 -2.529 4.655 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -16.225 -5.280 5.142 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -17.063 -6.049 1.114 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -17.401 -6.834 3.510 1.00 0.00 H new ATOM 678 N LEU A 136 -11.832 -2.590 2.656 1.00 0.00 N ATOM 679 CA LEU A 136 -10.678 -3.187 1.999 1.00 0.00 C ATOM 680 C LEU A 136 -10.532 -4.649 2.409 1.00 0.00 C ATOM 681 O LEU A 136 -10.507 -4.972 3.597 1.00 0.00 O ATOM 682 CB LEU A 136 -9.412 -2.395 2.351 1.00 0.00 C ATOM 683 CG LEU A 136 -8.153 -2.763 1.557 1.00 0.00 C ATOM 684 CD1 LEU A 136 -7.101 -1.677 1.711 1.00 0.00 C ATOM 685 CD2 LEU A 136 -7.593 -4.102 2.015 1.00 0.00 C ATOM 0 H LEU A 136 -11.604 -2.013 3.465 1.00 0.00 H new ATOM 0 HA LEU A 136 -10.824 -3.150 0.919 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -9.616 -1.335 2.202 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -9.203 -2.533 3.412 1.00 0.00 H new ATOM 0 HG LEU A 136 -8.426 -2.848 0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -6.211 -1.949 1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -7.496 -0.732 1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -6.840 -1.570 2.764 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -6.700 -4.340 1.436 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -7.336 -4.046 3.073 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -8.341 -4.880 1.864 1.00 0.00 H new ATOM 697 N VAL A 137 -10.441 -5.529 1.417 1.00 0.00 N ATOM 698 CA VAL A 137 -10.304 -6.960 1.672 1.00 0.00 C ATOM 699 C VAL A 137 -9.146 -7.545 0.869 1.00 0.00 C ATOM 700 O VAL A 137 -9.349 -8.361 -0.030 1.00 0.00 O ATOM 701 CB VAL A 137 -11.601 -7.717 1.322 1.00 0.00 C ATOM 702 CG1 VAL A 137 -11.504 -9.177 1.740 1.00 0.00 C ATOM 703 CG2 VAL A 137 -12.802 -7.046 1.972 1.00 0.00 C ATOM 0 H VAL A 137 -10.460 -5.277 0.429 1.00 0.00 H new ATOM 0 HA VAL A 137 -10.102 -7.081 2.736 1.00 0.00 H new ATOM 0 HB VAL A 137 -11.735 -7.685 0.241 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -12.430 -9.691 1.483 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -10.670 -9.650 1.220 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -11.342 -9.237 2.816 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -13.708 -7.594 1.714 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -12.675 -7.043 3.055 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -12.884 -6.020 1.613 1.00 0.00 H new ATOM 713 N GLY A 138 -7.928 -7.117 1.190 1.00 0.00 N ATOM 714 CA GLY A 138 -6.767 -7.608 0.476 1.00 0.00 C ATOM 715 C GLY A 138 -5.464 -7.189 1.124 1.00 0.00 C ATOM 716 O GLY A 138 -5.242 -7.443 2.307 1.00 0.00 O ATOM 0 H GLY A 138 -7.727 -6.442 1.928 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -6.810 -8.696 0.425 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -6.793 -7.240 -0.550 1.00 0.00 H new ATOM 720 N SER A 139 -4.601 -6.552 0.338 1.00 0.00 N ATOM 721 CA SER A 139 -3.305 -6.087 0.821 1.00 0.00 C ATOM 722 C SER A 139 -3.456 -4.866 1.727 1.00 0.00 C ATOM 723 O SER A 139 -2.907 -3.800 1.446 1.00 0.00 O ATOM 724 CB SER A 139 -2.398 -5.753 -0.361 1.00 0.00 C ATOM 725 OG SER A 139 -1.182 -5.178 0.077 1.00 0.00 O ATOM 0 H SER A 139 -4.778 -6.345 -0.645 1.00 0.00 H new ATOM 0 HA SER A 139 -2.855 -6.888 1.408 1.00 0.00 H new ATOM 0 HB2 SER A 139 -2.191 -6.658 -0.932 1.00 0.00 H new ATOM 0 HB3 SER A 139 -2.909 -5.063 -1.032 1.00 0.00 H new ATOM 0 HG SER A 139 -0.719 -4.772 -0.685 1.00 0.00 H new ATOM 731 N SER A 140 -4.205 -5.030 2.810 1.00 0.00 N ATOM 732 CA SER A 140 -4.434 -3.949 3.758 1.00 0.00 C ATOM 733 C SER A 140 -3.113 -3.428 4.325 1.00 0.00 C ATOM 734 O SER A 140 -3.026 -2.281 4.763 1.00 0.00 O ATOM 735 CB SER A 140 -5.346 -4.430 4.889 1.00 0.00 C ATOM 736 OG SER A 140 -5.637 -3.378 5.794 1.00 0.00 O ATOM 0 H SER A 140 -4.666 -5.907 3.054 1.00 0.00 H new ATOM 0 HA SER A 140 -4.922 -3.128 3.232 1.00 0.00 H new ATOM 0 HB2 SER A 140 -6.274 -4.821 4.471 1.00 0.00 H new ATOM 0 HB3 SER A 140 -4.866 -5.251 5.423 1.00 0.00 H new ATOM 0 HG SER A 140 -6.222 -3.711 6.506 1.00 0.00 H new ATOM 742 N ARG A 141 -2.089 -4.279 4.315 1.00 0.00 N ATOM 743 CA ARG A 141 -0.773 -3.902 4.828 1.00 0.00 C ATOM 744 C ARG A 141 0.330 -4.475 3.939 1.00 0.00 C ATOM 745 O ARG A 141 0.317 -5.657 3.607 1.00 0.00 O ATOM 746 CB ARG A 141 -0.615 -4.400 6.271 1.00 0.00 C ATOM 747 CG ARG A 141 0.608 -3.854 7.001 1.00 0.00 C ATOM 748 CD ARG A 141 1.905 -4.467 6.492 1.00 0.00 C ATOM 749 NE ARG A 141 1.910 -5.924 6.609 1.00 0.00 N ATOM 750 CZ ARG A 141 1.833 -6.576 7.767 1.00 0.00 C ATOM 751 NH1 ARG A 141 1.757 -5.906 8.909 1.00 0.00 N ATOM 752 NH2 ARG A 141 1.836 -7.902 7.781 1.00 0.00 N ATOM 0 H ARG A 141 -2.145 -5.233 3.958 1.00 0.00 H new ATOM 0 HA ARG A 141 -0.687 -2.815 4.819 1.00 0.00 H new ATOM 0 HB2 ARG A 141 -1.508 -4.130 6.834 1.00 0.00 H new ATOM 0 HB3 ARG A 141 -0.560 -5.489 6.262 1.00 0.00 H new ATOM 0 HG2 ARG A 141 0.648 -2.772 6.879 1.00 0.00 H new ATOM 0 HG3 ARG A 141 0.510 -4.051 8.068 1.00 0.00 H new ATOM 0 HD2 ARG A 141 2.052 -4.187 5.449 1.00 0.00 H new ATOM 0 HD3 ARG A 141 2.744 -4.056 7.054 1.00 0.00 H new ATOM 0 HE ARG A 141 1.976 -6.474 5.752 1.00 0.00 H new ATOM 0 HH11 ARG A 141 1.757 -4.886 8.903 1.00 0.00 H new ATOM 0 HH12 ARG A 141 1.698 -6.411 9.793 1.00 0.00 H new ATOM 0 HH21 ARG A 141 1.897 -8.421 6.905 1.00 0.00 H new ATOM 0 HH22 ARG A 141 1.777 -8.403 8.668 1.00 0.00 H new ATOM 766 N SER A 142 1.282 -3.622 3.562 1.00 0.00 N ATOM 767 CA SER A 142 2.400 -4.029 2.706 1.00 0.00 C ATOM 768 C SER A 142 3.726 -3.536 3.282 1.00 0.00 C ATOM 769 O SER A 142 3.765 -2.535 4.000 1.00 0.00 O ATOM 770 CB SER A 142 2.215 -3.473 1.294 1.00 0.00 C ATOM 771 OG SER A 142 1.001 -3.924 0.722 1.00 0.00 O ATOM 0 H SER A 142 1.303 -2.640 3.837 1.00 0.00 H new ATOM 0 HA SER A 142 2.418 -5.118 2.664 1.00 0.00 H new ATOM 0 HB2 SER A 142 2.223 -2.383 1.325 1.00 0.00 H new ATOM 0 HB3 SER A 142 3.052 -3.780 0.667 1.00 0.00 H new ATOM 0 HG SER A 142 0.422 -3.156 0.535 1.00 0.00 H new ATOM 777 N VAL A 143 4.808 -4.245 2.968 1.00 0.00 N ATOM 778 CA VAL A 143 6.133 -3.875 3.459 1.00 0.00 C ATOM 779 C VAL A 143 7.206 -4.127 2.402 1.00 0.00 C ATOM 780 O VAL A 143 7.340 -5.238 1.892 1.00 0.00 O ATOM 781 CB VAL A 143 6.494 -4.661 4.736 1.00 0.00 C ATOM 782 CG1 VAL A 143 7.927 -4.375 5.160 1.00 0.00 C ATOM 783 CG2 VAL A 143 5.523 -4.335 5.860 1.00 0.00 C ATOM 0 H VAL A 143 4.793 -5.077 2.378 1.00 0.00 H new ATOM 0 HA VAL A 143 6.099 -2.810 3.689 1.00 0.00 H new ATOM 0 HB VAL A 143 6.413 -5.725 4.514 1.00 0.00 H new ATOM 0 HG11 VAL A 143 8.159 -4.940 6.063 1.00 0.00 H new ATOM 0 HG12 VAL A 143 8.608 -4.670 4.362 1.00 0.00 H new ATOM 0 HG13 VAL A 143 8.042 -3.310 5.360 1.00 0.00 H new ATOM 0 HG21 VAL A 143 5.795 -4.900 6.751 1.00 0.00 H new ATOM 0 HG22 VAL A 143 5.565 -3.268 6.079 1.00 0.00 H new ATOM 0 HG23 VAL A 143 4.511 -4.603 5.556 1.00 0.00 H new ATOM 793 N CYS A 144 7.977 -3.086 2.088 1.00 0.00 N ATOM 794 CA CYS A 144 9.047 -3.195 1.101 1.00 0.00 C ATOM 795 C CYS A 144 10.168 -4.087 1.625 1.00 0.00 C ATOM 796 O CYS A 144 10.353 -4.219 2.834 1.00 0.00 O ATOM 797 CB CYS A 144 9.599 -1.811 0.749 1.00 0.00 C ATOM 798 SG CYS A 144 8.340 -0.638 0.147 1.00 0.00 S ATOM 0 H CYS A 144 7.879 -2.159 2.503 1.00 0.00 H new ATOM 0 HA CYS A 144 8.633 -3.645 0.199 1.00 0.00 H new ATOM 0 HB2 CYS A 144 10.081 -1.389 1.631 1.00 0.00 H new ATOM 0 HB3 CYS A 144 10.370 -1.922 -0.013 1.00 0.00 H new ATOM 803 N SER A 145 10.910 -4.704 0.710 1.00 0.00 N ATOM 804 CA SER A 145 12.005 -5.587 1.094 1.00 0.00 C ATOM 805 C SER A 145 13.022 -5.729 -0.032 1.00 0.00 C ATOM 806 O SER A 145 14.185 -6.052 0.206 1.00 0.00 O ATOM 807 CB SER A 145 11.464 -6.963 1.485 1.00 0.00 C ATOM 808 OG SER A 145 12.515 -7.835 1.868 1.00 0.00 O ATOM 0 H SER A 145 10.774 -4.609 -0.296 1.00 0.00 H new ATOM 0 HA SER A 145 12.508 -5.142 1.952 1.00 0.00 H new ATOM 0 HB2 SER A 145 10.756 -6.859 2.307 1.00 0.00 H new ATOM 0 HB3 SER A 145 10.917 -7.394 0.646 1.00 0.00 H new ATOM 0 HG SER A 145 12.143 -8.707 2.115 1.00 0.00 H new ATOM 814 N GLN A 146 12.575 -5.494 -1.258 1.00 0.00 N ATOM 815 CA GLN A 146 13.447 -5.603 -2.420 1.00 0.00 C ATOM 816 C GLN A 146 12.884 -4.817 -3.604 1.00 0.00 C ATOM 817 O GLN A 146 12.637 -5.373 -4.676 1.00 0.00 O ATOM 818 CB GLN A 146 13.628 -7.074 -2.797 1.00 0.00 C ATOM 819 CG GLN A 146 14.620 -7.301 -3.926 1.00 0.00 C ATOM 820 CD GLN A 146 16.027 -6.860 -3.570 1.00 0.00 C ATOM 821 OE1 GLN A 146 16.272 -5.688 -3.283 1.00 0.00 O ATOM 822 NE2 GLN A 146 16.964 -7.802 -3.589 1.00 0.00 N ATOM 0 H GLN A 146 11.615 -5.227 -1.474 1.00 0.00 H new ATOM 0 HA GLN A 146 14.417 -5.177 -2.164 1.00 0.00 H new ATOM 0 HB2 GLN A 146 13.960 -7.626 -1.918 1.00 0.00 H new ATOM 0 HB3 GLN A 146 12.662 -7.487 -3.087 1.00 0.00 H new ATOM 0 HG2 GLN A 146 14.631 -8.359 -4.187 1.00 0.00 H new ATOM 0 HG3 GLN A 146 14.287 -6.758 -4.811 1.00 0.00 H new ATOM 0 HE21 GLN A 146 16.718 -8.761 -3.832 1.00 0.00 H new ATOM 0 HE22 GLN A 146 17.929 -7.566 -3.360 1.00 0.00 H new ATOM 831 N GLY A 147 12.684 -3.519 -3.403 1.00 0.00 N ATOM 832 CA GLY A 147 12.156 -2.676 -4.462 1.00 0.00 C ATOM 833 C GLY A 147 10.678 -2.903 -4.716 1.00 0.00 C ATOM 834 O GLY A 147 10.055 -2.164 -5.479 1.00 0.00 O ATOM 0 H GLY A 147 12.878 -3.035 -2.526 1.00 0.00 H new ATOM 0 HA2 GLY A 147 12.318 -1.630 -4.202 1.00 0.00 H new ATOM 0 HA3 GLY A 147 12.711 -2.866 -5.381 1.00 0.00 H new ATOM 838 N GLN A 148 10.114 -3.925 -4.081 1.00 0.00 N ATOM 839 CA GLN A 148 8.700 -4.239 -4.248 1.00 0.00 C ATOM 840 C GLN A 148 8.068 -4.641 -2.919 1.00 0.00 C ATOM 841 O GLN A 148 8.649 -5.407 -2.150 1.00 0.00 O ATOM 842 CB GLN A 148 8.523 -5.361 -5.274 1.00 0.00 C ATOM 843 CG GLN A 148 9.245 -6.647 -4.905 1.00 0.00 C ATOM 844 CD GLN A 148 9.071 -7.746 -5.941 1.00 0.00 C ATOM 845 OE1 GLN A 148 8.336 -7.452 -7.009 1.00 0.00 O flip ATOM 846 NE2 GLN A 148 9.594 -8.848 -5.781 1.00 0.00 N flip ATOM 0 H GLN A 148 10.613 -4.549 -3.447 1.00 0.00 H new ATOM 0 HA GLN A 148 8.195 -3.343 -4.610 1.00 0.00 H new ATOM 0 HB2 GLN A 148 7.460 -5.572 -5.389 1.00 0.00 H new ATOM 0 HB3 GLN A 148 8.886 -5.016 -6.242 1.00 0.00 H new ATOM 0 HG2 GLN A 148 10.307 -6.438 -4.781 1.00 0.00 H new ATOM 0 HG3 GLN A 148 8.875 -7.001 -3.943 1.00 0.00 H new ATOM 0 HE21 GLN A 148 10.151 -9.032 -4.946 1.00 0.00 H new ATOM 0 HE22 GLN A 148 9.471 -9.578 -6.483 1.00 0.00 H new ATOM 855 N TRP A 149 6.874 -4.117 -2.654 1.00 0.00 N ATOM 856 CA TRP A 149 6.163 -4.421 -1.418 1.00 0.00 C ATOM 857 C TRP A 149 5.880 -5.916 -1.311 1.00 0.00 C ATOM 858 O TRP A 149 5.727 -6.600 -2.324 1.00 0.00 O ATOM 859 CB TRP A 149 4.854 -3.633 -1.339 1.00 0.00 C ATOM 860 CG TRP A 149 5.039 -2.152 -1.480 1.00 0.00 C ATOM 861 CD1 TRP A 149 5.170 -1.451 -2.644 1.00 0.00 C ATOM 862 CD2 TRP A 149 5.139 -1.194 -0.420 1.00 0.00 C ATOM 863 NE1 TRP A 149 5.320 -0.113 -2.373 1.00 0.00 N ATOM 864 CE2 TRP A 149 5.308 0.070 -1.016 1.00 0.00 C ATOM 865 CE3 TRP A 149 5.094 -1.280 0.973 1.00 0.00 C ATOM 866 CZ2 TRP A 149 5.433 1.237 -0.267 1.00 0.00 C ATOM 867 CZ3 TRP A 149 5.224 -0.121 1.716 1.00 0.00 C ATOM 868 CH2 TRP A 149 5.390 1.122 1.094 1.00 0.00 C ATOM 0 H TRP A 149 6.380 -3.480 -3.279 1.00 0.00 H new ATOM 0 HA TRP A 149 6.799 -4.126 -0.584 1.00 0.00 H new ATOM 0 HB2 TRP A 149 4.180 -3.983 -2.121 1.00 0.00 H new ATOM 0 HB3 TRP A 149 4.370 -3.842 -0.385 1.00 0.00 H new ATOM 0 HD1 TRP A 149 5.158 -1.885 -3.633 1.00 0.00 H new ATOM 0 HE1 TRP A 149 5.424 0.625 -3.070 1.00 0.00 H new ATOM 0 HE3 TRP A 149 4.960 -2.234 1.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 5.559 2.198 -0.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 5.197 -0.176 2.794 1.00 0.00 H new ATOM 0 HH2 TRP A 149 5.486 2.009 1.703 1.00 0.00 H new ATOM 879 N SER A 150 5.819 -6.416 -0.081 1.00 0.00 N ATOM 880 CA SER A 150 5.565 -7.832 0.159 1.00 0.00 C ATOM 881 C SER A 150 4.290 -8.290 -0.542 1.00 0.00 C ATOM 882 O SER A 150 4.324 -9.196 -1.376 1.00 0.00 O ATOM 883 CB SER A 150 5.459 -8.104 1.660 1.00 0.00 C ATOM 884 OG SER A 150 4.403 -7.358 2.242 1.00 0.00 O ATOM 0 H SER A 150 5.942 -5.861 0.766 1.00 0.00 H new ATOM 0 HA SER A 150 6.403 -8.397 -0.251 1.00 0.00 H new ATOM 0 HB2 SER A 150 5.292 -9.168 1.829 1.00 0.00 H new ATOM 0 HB3 SER A 150 6.400 -7.848 2.146 1.00 0.00 H new ATOM 0 HG SER A 150 4.356 -7.552 3.202 1.00 0.00 H new ATOM 890 N THR A 151 3.167 -7.662 -0.207 1.00 0.00 N ATOM 891 CA THR A 151 1.891 -8.017 -0.817 1.00 0.00 C ATOM 892 C THR A 151 1.463 -6.981 -1.857 1.00 0.00 C ATOM 893 O THR A 151 1.723 -5.789 -1.698 1.00 0.00 O ATOM 894 CB THR A 151 0.786 -8.173 0.242 1.00 0.00 C ATOM 895 OG1 THR A 151 -0.489 -8.329 -0.390 1.00 0.00 O ATOM 896 CG2 THR A 151 0.759 -6.973 1.170 1.00 0.00 C ATOM 0 H THR A 151 3.115 -6.909 0.479 1.00 0.00 H new ATOM 0 HA THR A 151 2.035 -8.975 -1.316 1.00 0.00 H new ATOM 0 HB THR A 151 1.002 -9.064 0.831 1.00 0.00 H new ATOM 0 HG1 THR A 151 -0.733 -9.278 -0.404 1.00 0.00 H new ATOM 0 HG21 THR A 151 -0.030 -7.104 1.911 1.00 0.00 H new ATOM 0 HG22 THR A 151 1.720 -6.882 1.675 1.00 0.00 H new ATOM 0 HG23 THR A 151 0.567 -6.070 0.591 1.00 0.00 H new ATOM 904 N PRO A 152 0.808 -7.431 -2.948 1.00 0.00 N ATOM 905 CA PRO A 152 0.347 -6.544 -4.029 1.00 0.00 C ATOM 906 C PRO A 152 -0.623 -5.470 -3.547 1.00 0.00 C ATOM 907 O PRO A 152 -0.528 -4.988 -2.421 1.00 0.00 O ATOM 908 CB PRO A 152 -0.357 -7.498 -5.005 1.00 0.00 C ATOM 909 CG PRO A 152 -0.643 -8.728 -4.213 1.00 0.00 C ATOM 910 CD PRO A 152 0.471 -8.838 -3.216 1.00 0.00 C ATOM 0 HA PRO A 152 1.177 -5.992 -4.470 1.00 0.00 H new ATOM 0 HB2 PRO A 152 -1.275 -7.057 -5.393 1.00 0.00 H new ATOM 0 HB3 PRO A 152 0.277 -7.721 -5.863 1.00 0.00 H new ATOM 0 HG2 PRO A 152 -1.609 -8.656 -3.714 1.00 0.00 H new ATOM 0 HG3 PRO A 152 -0.681 -9.607 -4.856 1.00 0.00 H new ATOM 0 HD2 PRO A 152 0.155 -9.358 -2.312 1.00 0.00 H new ATOM 0 HD3 PRO A 152 1.321 -9.388 -3.619 1.00 0.00 H new ATOM 918 N LYS A 153 -1.550 -5.093 -4.418 1.00 0.00 N ATOM 919 CA LYS A 153 -2.539 -4.071 -4.095 1.00 0.00 C ATOM 920 C LYS A 153 -3.924 -4.697 -3.925 1.00 0.00 C ATOM 921 O LYS A 153 -4.331 -5.540 -4.725 1.00 0.00 O ATOM 922 CB LYS A 153 -2.568 -3.004 -5.191 1.00 0.00 C ATOM 923 CG LYS A 153 -3.345 -1.756 -4.808 1.00 0.00 C ATOM 924 CD LYS A 153 -3.318 -0.721 -5.919 1.00 0.00 C ATOM 925 CE LYS A 153 -4.003 0.565 -5.492 1.00 0.00 C ATOM 926 NZ LYS A 153 -3.359 1.166 -4.292 1.00 0.00 N ATOM 0 H LYS A 153 -1.638 -5.481 -5.357 1.00 0.00 H new ATOM 0 HA LYS A 153 -2.258 -3.601 -3.153 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -1.545 -2.722 -5.439 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -3.007 -3.433 -6.092 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -4.378 -2.024 -4.584 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -2.922 -1.327 -3.899 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -2.285 -0.510 -6.198 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -3.812 -1.122 -6.804 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -3.977 1.280 -6.314 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -5.053 0.363 -5.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -3.195 2.180 -4.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -3.981 1.046 -3.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -2.450 0.693 -4.112 1.00 0.00 H new ATOM 940 N PRO A 154 -4.669 -4.302 -2.873 1.00 0.00 N ATOM 941 CA PRO A 154 -6.006 -4.843 -2.607 1.00 0.00 C ATOM 942 C PRO A 154 -7.078 -4.262 -3.523 1.00 0.00 C ATOM 943 O PRO A 154 -6.786 -3.795 -4.624 1.00 0.00 O ATOM 944 CB PRO A 154 -6.265 -4.429 -1.160 1.00 0.00 C ATOM 945 CG PRO A 154 -5.482 -3.174 -0.983 1.00 0.00 C ATOM 946 CD PRO A 154 -4.264 -3.307 -1.859 1.00 0.00 C ATOM 0 HA PRO A 154 -6.047 -5.918 -2.781 1.00 0.00 H new ATOM 0 HB2 PRO A 154 -7.327 -4.263 -0.979 1.00 0.00 H new ATOM 0 HB3 PRO A 154 -5.940 -5.201 -0.462 1.00 0.00 H new ATOM 0 HG2 PRO A 154 -6.073 -2.304 -1.269 1.00 0.00 H new ATOM 0 HG3 PRO A 154 -5.197 -3.037 0.060 1.00 0.00 H new ATOM 0 HD2 PRO A 154 -3.994 -2.355 -2.317 1.00 0.00 H new ATOM 0 HD3 PRO A 154 -3.397 -3.644 -1.291 1.00 0.00 H new ATOM 954 N HIS A 155 -8.324 -4.293 -3.053 1.00 0.00 N ATOM 955 CA HIS A 155 -9.452 -3.770 -3.820 1.00 0.00 C ATOM 956 C HIS A 155 -10.583 -3.328 -2.893 1.00 0.00 C ATOM 957 O HIS A 155 -10.639 -3.734 -1.732 1.00 0.00 O ATOM 958 CB HIS A 155 -9.964 -4.823 -4.805 1.00 0.00 C ATOM 959 CG HIS A 155 -10.422 -6.090 -4.152 1.00 0.00 C ATOM 960 ND1 HIS A 155 -9.591 -6.893 -3.401 1.00 0.00 N ATOM 961 CD2 HIS A 155 -11.635 -6.692 -4.140 1.00 0.00 C ATOM 962 CE1 HIS A 155 -10.271 -7.936 -2.957 1.00 0.00 C ATOM 963 NE2 HIS A 155 -11.514 -7.836 -3.390 1.00 0.00 N ATOM 0 H HIS A 155 -8.578 -4.676 -2.142 1.00 0.00 H new ATOM 0 HA HIS A 155 -9.105 -2.902 -4.380 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -10.790 -4.401 -5.377 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -9.172 -5.058 -5.516 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -12.531 -6.338 -4.629 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -9.877 -8.734 -2.345 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -12.263 -8.501 -3.198 1.00 0.00 H new ATOM 972 N CYS A 156 -11.483 -2.497 -3.414 1.00 0.00 N ATOM 973 CA CYS A 156 -12.614 -2.005 -2.631 1.00 0.00 C ATOM 974 C CYS A 156 -13.857 -2.850 -2.886 1.00 0.00 C ATOM 975 O CYS A 156 -14.210 -3.121 -4.034 1.00 0.00 O ATOM 976 CB CYS A 156 -12.910 -0.543 -2.979 1.00 0.00 C ATOM 977 SG CYS A 156 -11.583 0.624 -2.540 1.00 0.00 S ATOM 0 H CYS A 156 -11.451 -2.151 -4.373 1.00 0.00 H new ATOM 0 HA CYS A 156 -12.348 -2.077 -1.576 1.00 0.00 H new ATOM 0 HB2 CYS A 156 -13.101 -0.470 -4.050 1.00 0.00 H new ATOM 0 HB3 CYS A 156 -13.825 -0.240 -2.470 1.00 0.00 H new ATOM 982 N GLN A 157 -14.519 -3.265 -1.809 1.00 0.00 N ATOM 983 CA GLN A 157 -15.724 -4.079 -1.920 1.00 0.00 C ATOM 984 C GLN A 157 -16.924 -3.363 -1.305 1.00 0.00 C ATOM 985 O GLN A 157 -16.815 -2.750 -0.243 1.00 0.00 O ATOM 986 CB GLN A 157 -15.513 -5.433 -1.238 1.00 0.00 C ATOM 987 CG GLN A 157 -16.707 -6.369 -1.350 1.00 0.00 C ATOM 988 CD GLN A 157 -17.027 -6.746 -2.784 1.00 0.00 C ATOM 989 OE1 GLN A 157 -17.350 -5.890 -3.607 1.00 0.00 O ATOM 990 NE2 GLN A 157 -16.939 -8.035 -3.089 1.00 0.00 N ATOM 0 H GLN A 157 -14.241 -3.051 -0.851 1.00 0.00 H new ATOM 0 HA GLN A 157 -15.928 -4.242 -2.978 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -14.641 -5.918 -1.676 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -15.290 -5.268 -0.184 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -16.508 -7.275 -0.777 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -17.579 -5.893 -0.901 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -16.667 -8.711 -2.375 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -17.143 -8.350 -4.038 1.00 0.00 H new ATOM 999 N VAL A 158 -18.065 -3.443 -1.981 1.00 0.00 N ATOM 1000 CA VAL A 158 -19.286 -2.802 -1.502 1.00 0.00 C ATOM 1001 C VAL A 158 -19.742 -3.403 -0.175 1.00 0.00 C ATOM 1002 O VAL A 158 -19.729 -4.621 0.003 1.00 0.00 O ATOM 1003 CB VAL A 158 -20.427 -2.922 -2.533 1.00 0.00 C ATOM 1004 CG1 VAL A 158 -20.734 -4.383 -2.827 1.00 0.00 C ATOM 1005 CG2 VAL A 158 -21.672 -2.197 -2.043 1.00 0.00 C ATOM 0 H VAL A 158 -18.171 -3.945 -2.862 1.00 0.00 H new ATOM 0 HA VAL A 158 -19.052 -1.748 -1.355 1.00 0.00 H new ATOM 0 HB VAL A 158 -20.101 -2.450 -3.460 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -21.542 -4.445 -3.556 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -19.844 -4.868 -3.228 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -21.036 -4.883 -1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -22.465 -2.294 -2.785 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -22.001 -2.635 -1.101 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -21.443 -1.142 -1.892 1.00 0.00 H new ATOM 1015 N ASN A 159 -20.145 -2.539 0.754 1.00 0.00 N ATOM 1016 CA ASN A 159 -20.606 -2.985 2.065 1.00 0.00 C ATOM 1017 C ASN A 159 -21.833 -3.882 1.938 1.00 0.00 C ATOM 1018 O ASN A 159 -22.395 -3.962 0.825 1.00 0.00 O ATOM 1019 CB ASN A 159 -20.932 -1.780 2.954 1.00 0.00 C ATOM 1020 CG ASN A 159 -22.005 -0.889 2.359 1.00 0.00 C ATOM 1021 OD1 ASN A 159 -23.125 -1.331 2.103 1.00 0.00 O ATOM 1022 ND2 ASN A 159 -21.667 0.377 2.140 1.00 0.00 N ATOM 1023 OXT ASN A 159 -22.222 -4.497 2.952 1.00 0.00 O ATOM 0 H ASN A 159 -20.161 -1.528 0.623 1.00 0.00 H new ATOM 0 HA ASN A 159 -19.803 -3.562 2.524 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -21.259 -2.133 3.932 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -20.026 -1.195 3.113 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -22.348 1.026 1.745 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -20.727 0.700 2.367 1.00 0.00 H new