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 146 GLN :FLIP amide:sc= 0 X(o=-0.001,f=0) USER MOD Set 1.2: A 148 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 139 SER OG : rot -56:sc= 1.86 USER MOD Set 2.2: A 151 THR OG1 : rot 79:sc= 0.0646 USER MOD Set 3.1: A 135 HIS : no HD1:sc= -4.31 K(o=-4.6,f=-8.3!) USER MOD Set 3.2: A 157 GLN : amide:sc= -0.273 K(o=-4.6,f=-8.3) USER MOD Set 4.1: A 100 SER OG : rot 38:sc= 0.383 USER MOD Set 4.2: A 102 SER OG : rot 180:sc= -0.0263 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 TYR OH : rot -60:sc= -2.29! USER MOD Single : A 105 THR OG1 : rot 7:sc= 0.758 USER MOD Single : A 108 ASN :FLIP amide:sc= -0.161 F(o=-2.4!,f=-0.16) USER MOD Single : A 110 LYS NZ :NH3+ 132:sc= 0.0535 (180deg=-0.552) USER MOD Single : A 114 THR OG1 : rot -26:sc= 0.627 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 96:sc= 0.232 USER MOD Single : A 145 SER OG : rot 83:sc= 1.28 USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 153 LYS NZ :NH3+ -138:sc= -0.115 (180deg=-0.377) USER MOD Single : A 155 HIS : no HD1:sc= -0.29 K(o=-0.29,f=-0.92) USER MOD Single : A 159 ASN : amide:sc= -0.427 K(o=-0.43,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 103 N ILE A 98 13.264 1.062 -5.429 1.00 0.00 N ATOM 104 CA ILE A 98 12.118 1.251 -4.565 1.00 0.00 C ATOM 105 C ILE A 98 10.938 0.411 -5.024 1.00 0.00 C ATOM 106 O ILE A 98 10.776 0.135 -6.213 1.00 0.00 O ATOM 107 CB ILE A 98 11.697 2.733 -4.477 1.00 0.00 C ATOM 108 CG1 ILE A 98 11.795 3.422 -5.842 1.00 0.00 C ATOM 109 CG2 ILE A 98 12.550 3.463 -3.451 1.00 0.00 C ATOM 110 CD1 ILE A 98 10.884 2.842 -6.899 1.00 0.00 C ATOM 0 HA ILE A 98 12.422 0.924 -3.571 1.00 0.00 H new ATOM 0 HB ILE A 98 10.655 2.769 -4.160 1.00 0.00 H new ATOM 0 HG12 ILE A 98 11.562 4.480 -5.719 1.00 0.00 H new ATOM 0 HG13 ILE A 98 12.825 3.361 -6.194 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.242 4.507 -3.399 1.00 0.00 H new ATOM 0 HG22 ILE A 98 12.421 2.998 -2.474 1.00 0.00 H new ATOM 0 HG23 ILE A 98 13.598 3.408 -3.744 1.00 0.00 H new ATOM 0 HD11 ILE A 98 11.017 3.388 -7.833 1.00 0.00 H new ATOM 0 HD12 ILE A 98 11.130 1.791 -7.054 1.00 0.00 H new ATOM 0 HD13 ILE A 98 9.847 2.928 -6.573 1.00 0.00 H new ATOM 122 N CYS A 99 10.118 0.003 -4.071 1.00 0.00 N ATOM 123 CA CYS A 99 8.950 -0.803 -4.372 1.00 0.00 C ATOM 124 C CYS A 99 8.027 -0.042 -5.319 1.00 0.00 C ATOM 125 O CYS A 99 7.873 1.173 -5.197 1.00 0.00 O ATOM 126 CB CYS A 99 8.227 -1.175 -3.079 1.00 0.00 C ATOM 127 SG CYS A 99 9.221 -2.206 -1.950 1.00 0.00 S ATOM 0 H CYS A 99 10.241 0.217 -3.081 1.00 0.00 H new ATOM 0 HA CYS A 99 9.260 -1.725 -4.864 1.00 0.00 H new ATOM 0 HB2 CYS A 99 7.936 -0.261 -2.561 1.00 0.00 H new ATOM 0 HB3 CYS A 99 7.308 -1.707 -3.327 1.00 0.00 H new ATOM 132 N SER A 100 7.444 -0.757 -6.282 1.00 0.00 N ATOM 133 CA SER A 100 6.562 -0.144 -7.274 1.00 0.00 C ATOM 134 C SER A 100 5.694 0.948 -6.656 1.00 0.00 C ATOM 135 O SER A 100 4.828 0.677 -5.825 1.00 0.00 O ATOM 136 CB SER A 100 5.676 -1.207 -7.925 1.00 0.00 C ATOM 137 OG SER A 100 4.884 -1.875 -6.960 1.00 0.00 O ATOM 0 H SER A 100 7.568 -1.763 -6.396 1.00 0.00 H new ATOM 0 HA SER A 100 7.192 0.317 -8.035 1.00 0.00 H new ATOM 0 HB2 SER A 100 5.030 -0.740 -8.669 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.299 -1.930 -8.452 1.00 0.00 H new ATOM 0 HG SER A 100 4.583 -1.233 -6.283 1.00 0.00 H new ATOM 143 N LYS A 101 5.939 2.187 -7.073 1.00 0.00 N ATOM 144 CA LYS A 101 5.191 3.333 -6.568 1.00 0.00 C ATOM 145 C LYS A 101 3.746 3.313 -7.060 1.00 0.00 C ATOM 146 O LYS A 101 2.968 4.219 -6.760 1.00 0.00 O ATOM 147 CB LYS A 101 5.875 4.636 -6.990 1.00 0.00 C ATOM 148 CG LYS A 101 7.273 4.800 -6.417 1.00 0.00 C ATOM 149 CD LYS A 101 7.923 6.087 -6.898 1.00 0.00 C ATOM 150 CE LYS A 101 9.332 6.239 -6.349 1.00 0.00 C ATOM 151 NZ LYS A 101 9.979 7.495 -6.817 1.00 0.00 N ATOM 0 H LYS A 101 6.653 2.423 -7.762 1.00 0.00 H new ATOM 0 HA LYS A 101 5.176 3.273 -5.480 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.930 4.672 -8.078 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.260 5.479 -6.674 1.00 0.00 H new ATOM 0 HG2 LYS A 101 7.224 4.801 -5.328 1.00 0.00 H new ATOM 0 HG3 LYS A 101 7.889 3.949 -6.708 1.00 0.00 H new ATOM 0 HD2 LYS A 101 7.953 6.095 -7.988 1.00 0.00 H new ATOM 0 HD3 LYS A 101 7.317 6.939 -6.589 1.00 0.00 H new ATOM 0 HE2 LYS A 101 9.300 6.232 -5.260 1.00 0.00 H new ATOM 0 HE3 LYS A 101 9.935 5.384 -6.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 10.938 7.560 -6.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 10.034 7.491 -7.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 9.418 8.312 -6.503 1.00 0.00 H new ATOM 165 N SER A 102 3.391 2.274 -7.810 1.00 0.00 N ATOM 166 CA SER A 102 2.037 2.136 -8.334 1.00 0.00 C ATOM 167 C SER A 102 1.025 2.087 -7.196 1.00 0.00 C ATOM 168 O SER A 102 -0.074 2.634 -7.303 1.00 0.00 O ATOM 169 CB SER A 102 1.923 0.874 -9.190 1.00 0.00 C ATOM 170 OG SER A 102 2.222 -0.285 -8.433 1.00 0.00 O ATOM 0 H SER A 102 4.022 1.516 -8.068 1.00 0.00 H new ATOM 0 HA SER A 102 1.821 3.005 -8.956 1.00 0.00 H new ATOM 0 HB2 SER A 102 0.915 0.796 -9.596 1.00 0.00 H new ATOM 0 HB3 SER A 102 2.604 0.944 -10.038 1.00 0.00 H new ATOM 0 HG SER A 102 2.140 -1.078 -9.003 1.00 0.00 H new ATOM 176 N TYR A 103 1.406 1.428 -6.106 1.00 0.00 N ATOM 177 CA TYR A 103 0.541 1.302 -4.938 1.00 0.00 C ATOM 178 C TYR A 103 0.077 2.672 -4.456 1.00 0.00 C ATOM 179 O TYR A 103 -1.054 2.826 -3.995 1.00 0.00 O ATOM 180 CB TYR A 103 1.268 0.564 -3.810 1.00 0.00 C ATOM 181 CG TYR A 103 1.543 -0.897 -4.104 1.00 0.00 C ATOM 182 CD1 TYR A 103 2.043 -1.302 -5.337 1.00 0.00 C ATOM 183 CD2 TYR A 103 1.301 -1.872 -3.144 1.00 0.00 C ATOM 184 CE1 TYR A 103 2.292 -2.635 -5.604 1.00 0.00 C ATOM 185 CE2 TYR A 103 1.550 -3.207 -3.404 1.00 0.00 C ATOM 186 CZ TYR A 103 2.044 -3.582 -4.635 1.00 0.00 C ATOM 187 OH TYR A 103 2.293 -4.909 -4.898 1.00 0.00 O ATOM 0 H TYR A 103 2.313 0.971 -6.007 1.00 0.00 H new ATOM 0 HA TYR A 103 -0.336 0.724 -5.228 1.00 0.00 H new ATOM 0 HB2 TYR A 103 2.214 1.068 -3.611 1.00 0.00 H new ATOM 0 HB3 TYR A 103 0.672 0.635 -2.900 1.00 0.00 H new ATOM 0 HD1 TYR A 103 2.240 -0.562 -6.099 1.00 0.00 H new ATOM 0 HD2 TYR A 103 0.912 -1.582 -2.179 1.00 0.00 H new ATOM 0 HE1 TYR A 103 2.679 -2.933 -6.567 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.358 -3.952 -2.646 1.00 0.00 H new ATOM 0 HH TYR A 103 1.748 -5.199 -5.659 1.00 0.00 H new ATOM 197 N LEU A 104 0.955 3.665 -4.572 1.00 0.00 N ATOM 198 CA LEU A 104 0.632 5.025 -4.155 1.00 0.00 C ATOM 199 C LEU A 104 -0.658 5.491 -4.821 1.00 0.00 C ATOM 200 O LEU A 104 -0.887 5.212 -5.995 1.00 0.00 O ATOM 201 CB LEU A 104 1.775 5.979 -4.509 1.00 0.00 C ATOM 202 CG LEU A 104 3.142 5.603 -3.929 1.00 0.00 C ATOM 203 CD1 LEU A 104 4.201 6.598 -4.380 1.00 0.00 C ATOM 204 CD2 LEU A 104 3.082 5.540 -2.410 1.00 0.00 C ATOM 0 H LEU A 104 1.895 3.553 -4.951 1.00 0.00 H new ATOM 0 HA LEU A 104 0.493 5.029 -3.074 1.00 0.00 H new ATOM 0 HB2 LEU A 104 1.861 6.031 -5.594 1.00 0.00 H new ATOM 0 HB3 LEU A 104 1.513 6.979 -4.162 1.00 0.00 H new ATOM 0 HG LEU A 104 3.413 4.615 -4.301 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.167 6.317 -3.960 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.264 6.594 -5.468 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.932 7.597 -4.036 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.063 5.271 -2.018 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.788 6.513 -2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.352 4.790 -2.106 1.00 0.00 H new ATOM 216 N THR A 105 -1.495 6.191 -4.054 1.00 0.00 N ATOM 217 CA THR A 105 -2.777 6.696 -4.547 1.00 0.00 C ATOM 218 C THR A 105 -3.680 5.552 -5.003 1.00 0.00 C ATOM 219 O THR A 105 -3.260 4.671 -5.754 1.00 0.00 O ATOM 220 CB THR A 105 -2.602 7.700 -5.707 1.00 0.00 C ATOM 221 OG1 THR A 105 -2.137 7.033 -6.884 1.00 0.00 O ATOM 222 CG2 THR A 105 -1.619 8.799 -5.325 1.00 0.00 C ATOM 0 H THR A 105 -1.305 6.423 -3.079 1.00 0.00 H new ATOM 0 HA THR A 105 -3.244 7.217 -3.711 1.00 0.00 H new ATOM 0 HB THR A 105 -3.575 8.148 -5.910 1.00 0.00 H new ATOM 0 HG1 THR A 105 -2.129 6.065 -6.730 1.00 0.00 H new ATOM 0 HG21 THR A 105 -1.511 9.495 -6.157 1.00 0.00 H new ATOM 0 HG22 THR A 105 -1.992 9.333 -4.451 1.00 0.00 H new ATOM 0 HG23 THR A 105 -0.650 8.356 -5.094 1.00 0.00 H new ATOM 230 N LEU A 106 -4.925 5.566 -4.538 1.00 0.00 N ATOM 231 CA LEU A 106 -5.885 4.526 -4.892 1.00 0.00 C ATOM 232 C LEU A 106 -7.294 5.091 -5.011 1.00 0.00 C ATOM 233 O LEU A 106 -7.741 5.857 -4.158 1.00 0.00 O ATOM 234 CB LEU A 106 -5.857 3.409 -3.844 1.00 0.00 C ATOM 235 CG LEU A 106 -6.960 2.354 -3.978 1.00 0.00 C ATOM 236 CD1 LEU A 106 -6.948 1.730 -5.366 1.00 0.00 C ATOM 237 CD2 LEU A 106 -6.803 1.283 -2.908 1.00 0.00 C ATOM 0 H LEU A 106 -5.293 6.285 -3.916 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.600 4.120 -5.863 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.890 2.908 -3.897 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.928 3.861 -2.854 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.922 2.846 -3.837 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.740 0.984 -5.437 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -7.112 2.505 -6.115 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.984 1.253 -5.542 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.594 0.541 -3.017 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -5.833 0.798 -3.018 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -6.869 1.742 -1.921 1.00 0.00 H new ATOM 249 N GLU A 107 -7.992 4.698 -6.071 1.00 0.00 N ATOM 250 CA GLU A 107 -9.356 5.156 -6.296 1.00 0.00 C ATOM 251 C GLU A 107 -10.270 4.665 -5.180 1.00 0.00 C ATOM 252 O GLU A 107 -10.231 3.493 -4.804 1.00 0.00 O ATOM 253 CB GLU A 107 -9.881 4.675 -7.654 1.00 0.00 C ATOM 254 CG GLU A 107 -9.886 3.162 -7.822 1.00 0.00 C ATOM 255 CD GLU A 107 -8.520 2.596 -8.161 1.00 0.00 C ATOM 256 OE1 GLU A 107 -7.589 3.391 -8.410 1.00 0.00 O ATOM 257 OE2 GLU A 107 -8.386 1.354 -8.194 1.00 0.00 O ATOM 0 H GLU A 107 -7.635 4.064 -6.786 1.00 0.00 H new ATOM 0 HA GLU A 107 -9.350 6.246 -6.297 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -10.896 5.048 -7.791 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.271 5.115 -8.443 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -10.245 2.702 -6.902 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -10.590 2.892 -8.609 1.00 0.00 H new ATOM 264 N ASN A 108 -11.086 5.569 -4.649 1.00 0.00 N ATOM 265 CA ASN A 108 -12.006 5.228 -3.571 1.00 0.00 C ATOM 266 C ASN A 108 -11.249 4.685 -2.363 1.00 0.00 C ATOM 267 O ASN A 108 -11.665 3.704 -1.747 1.00 0.00 O ATOM 268 CB ASN A 108 -13.037 4.201 -4.051 1.00 0.00 C ATOM 269 CG ASN A 108 -13.895 4.714 -5.196 1.00 0.00 C ATOM 270 OD1 ASN A 108 -13.658 5.953 -5.617 1.00 0.00 O flip ATOM 271 ND2 ASN A 108 -14.763 4.000 -5.698 1.00 0.00 N flip ATOM 0 H ASN A 108 -11.129 6.543 -4.948 1.00 0.00 H new ATOM 0 HA ASN A 108 -12.528 6.137 -3.272 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -12.520 3.296 -4.369 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -13.681 3.924 -3.217 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -14.913 3.055 -5.345 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -15.332 4.354 -6.467 1.00 0.00 H new ATOM 278 N GLY A 109 -10.134 5.330 -2.027 1.00 0.00 N ATOM 279 CA GLY A 109 -9.338 4.897 -0.893 1.00 0.00 C ATOM 280 C GLY A 109 -8.188 5.839 -0.596 1.00 0.00 C ATOM 281 O GLY A 109 -8.032 6.868 -1.253 1.00 0.00 O ATOM 0 H GLY A 109 -9.769 6.144 -2.520 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -9.977 4.820 -0.013 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.945 3.900 -1.089 1.00 0.00 H new ATOM 285 N LYS A 110 -7.380 5.485 0.400 1.00 0.00 N ATOM 286 CA LYS A 110 -6.236 6.301 0.790 1.00 0.00 C ATOM 287 C LYS A 110 -5.053 5.419 1.171 1.00 0.00 C ATOM 288 O LYS A 110 -5.230 4.287 1.620 1.00 0.00 O ATOM 289 CB LYS A 110 -6.603 7.212 1.963 1.00 0.00 C ATOM 290 CG LYS A 110 -5.502 8.186 2.349 1.00 0.00 C ATOM 291 CD LYS A 110 -5.225 9.187 1.237 1.00 0.00 C ATOM 292 CE LYS A 110 -4.117 10.156 1.620 1.00 0.00 C ATOM 293 NZ LYS A 110 -2.826 9.455 1.862 1.00 0.00 N ATOM 0 H LYS A 110 -7.498 4.636 0.952 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.954 6.919 -0.063 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -7.501 7.775 1.707 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -6.849 6.595 2.827 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -5.788 8.719 3.256 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -4.590 7.634 2.578 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -4.945 8.654 0.328 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.135 9.744 1.013 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -3.987 10.892 0.826 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -4.407 10.703 2.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -2.064 9.944 1.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.616 9.456 2.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.895 8.474 1.524 1.00 0.00 H new ATOM 307 N VAL A 111 -3.848 5.944 0.986 1.00 0.00 N ATOM 308 CA VAL A 111 -2.635 5.200 1.307 1.00 0.00 C ATOM 309 C VAL A 111 -1.696 6.021 2.185 1.00 0.00 C ATOM 310 O VAL A 111 -1.302 7.130 1.823 1.00 0.00 O ATOM 311 CB VAL A 111 -1.888 4.776 0.028 1.00 0.00 C ATOM 312 CG1 VAL A 111 -0.593 4.059 0.374 1.00 0.00 C ATOM 313 CG2 VAL A 111 -2.775 3.899 -0.843 1.00 0.00 C ATOM 0 H VAL A 111 -3.684 6.880 0.616 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.945 4.309 1.854 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.637 5.674 -0.536 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -0.082 3.768 -0.544 1.00 0.00 H new ATOM 0 HG12 VAL A 111 0.048 4.725 0.952 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -0.816 3.169 0.963 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -2.230 3.609 -1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -3.061 3.005 -0.288 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -3.671 4.453 -1.124 1.00 0.00 H new ATOM 323 N PHE A 112 -1.338 5.466 3.339 1.00 0.00 N ATOM 324 CA PHE A 112 -0.440 6.139 4.271 1.00 0.00 C ATOM 325 C PHE A 112 1.013 5.784 3.973 1.00 0.00 C ATOM 326 O PHE A 112 1.398 4.619 4.039 1.00 0.00 O ATOM 327 CB PHE A 112 -0.779 5.752 5.714 1.00 0.00 C ATOM 328 CG PHE A 112 -2.129 6.228 6.182 1.00 0.00 C ATOM 329 CD1 PHE A 112 -3.276 5.955 5.452 1.00 0.00 C ATOM 330 CD2 PHE A 112 -2.247 6.947 7.360 1.00 0.00 C ATOM 331 CE1 PHE A 112 -4.512 6.391 5.888 1.00 0.00 C ATOM 332 CE2 PHE A 112 -3.481 7.386 7.801 1.00 0.00 C ATOM 333 CZ PHE A 112 -4.615 7.108 7.064 1.00 0.00 C ATOM 0 H PHE A 112 -1.657 4.549 3.652 1.00 0.00 H new ATOM 0 HA PHE A 112 -0.572 7.214 4.149 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -0.737 4.667 5.806 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -0.014 6.158 6.376 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -3.202 5.395 4.532 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -1.364 7.167 7.941 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -5.397 6.171 5.310 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -3.558 7.946 8.721 1.00 0.00 H new ATOM 0 HZ PHE A 112 -5.580 7.450 7.406 1.00 0.00 H new ATOM 343 N LEU A 113 1.821 6.791 3.653 1.00 0.00 N ATOM 344 CA LEU A 113 3.233 6.567 3.355 1.00 0.00 C ATOM 345 C LEU A 113 4.048 6.442 4.639 1.00 0.00 C ATOM 346 O LEU A 113 3.759 7.102 5.637 1.00 0.00 O ATOM 347 CB LEU A 113 3.794 7.699 2.491 1.00 0.00 C ATOM 348 CG LEU A 113 5.274 7.553 2.114 1.00 0.00 C ATOM 349 CD1 LEU A 113 5.508 6.255 1.354 1.00 0.00 C ATOM 350 CD2 LEU A 113 5.740 8.744 1.290 1.00 0.00 C ATOM 0 H LEU A 113 1.525 7.765 3.593 1.00 0.00 H new ATOM 0 HA LEU A 113 3.309 5.632 2.800 1.00 0.00 H new ATOM 0 HB2 LEU A 113 3.206 7.763 1.576 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.661 8.642 3.022 1.00 0.00 H new ATOM 0 HG LEU A 113 5.858 7.524 3.034 1.00 0.00 H new ATOM 0 HD11 LEU A 113 6.563 6.170 1.096 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.218 5.410 1.979 1.00 0.00 H new ATOM 0 HD13 LEU A 113 4.910 6.254 0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.792 8.620 1.034 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.149 8.808 0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.613 9.659 1.869 1.00 0.00 H new ATOM 362 N THR A 114 5.070 5.592 4.602 1.00 0.00 N ATOM 363 CA THR A 114 5.933 5.379 5.758 1.00 0.00 C ATOM 364 C THR A 114 7.280 4.797 5.328 1.00 0.00 C ATOM 365 O THR A 114 7.691 3.733 5.794 1.00 0.00 O ATOM 366 CB THR A 114 5.275 4.440 6.791 1.00 0.00 C ATOM 367 OG1 THR A 114 3.949 4.892 7.090 1.00 0.00 O ATOM 368 CG2 THR A 114 6.089 4.389 8.077 1.00 0.00 C ATOM 0 H THR A 114 5.321 5.039 3.782 1.00 0.00 H new ATOM 0 HA THR A 114 6.091 6.351 6.225 1.00 0.00 H new ATOM 0 HB THR A 114 5.235 3.440 6.360 1.00 0.00 H new ATOM 0 HG1 THR A 114 3.890 5.858 6.935 1.00 0.00 H new ATOM 0 HG21 THR A 114 5.604 3.721 8.788 1.00 0.00 H new ATOM 0 HG22 THR A 114 7.091 4.021 7.859 1.00 0.00 H new ATOM 0 HG23 THR A 114 6.155 5.389 8.506 1.00 0.00 H new ATOM 376 N GLY A 115 7.957 5.503 4.426 1.00 0.00 N ATOM 377 CA GLY A 115 9.243 5.052 3.938 1.00 0.00 C ATOM 378 C GLY A 115 10.051 6.189 3.346 1.00 0.00 C ATOM 379 O GLY A 115 10.533 7.060 4.071 1.00 0.00 O ATOM 0 H GLY A 115 7.633 6.383 4.025 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.802 4.596 4.755 1.00 0.00 H new ATOM 0 HA3 GLY A 115 9.095 4.280 3.183 1.00 0.00 H new ATOM 383 N GLY A 116 10.196 6.182 2.028 1.00 0.00 N ATOM 384 CA GLY A 116 10.950 7.229 1.361 1.00 0.00 C ATOM 385 C GLY A 116 11.446 6.815 -0.012 1.00 0.00 C ATOM 386 O GLY A 116 10.661 6.409 -0.870 1.00 0.00 O ATOM 0 H GLY A 116 9.806 5.472 1.408 1.00 0.00 H new ATOM 0 HA2 GLY A 116 10.323 8.115 1.263 1.00 0.00 H new ATOM 0 HA3 GLY A 116 11.802 7.508 1.981 1.00 0.00 H new ATOM 390 N ASP A 117 12.756 6.925 -0.217 1.00 0.00 N ATOM 391 CA ASP A 117 13.372 6.570 -1.492 1.00 0.00 C ATOM 392 C ASP A 117 14.814 6.112 -1.273 1.00 0.00 C ATOM 393 O ASP A 117 15.747 6.624 -1.893 1.00 0.00 O ATOM 394 CB ASP A 117 13.333 7.765 -2.448 1.00 0.00 C ATOM 395 CG ASP A 117 13.873 7.428 -3.824 1.00 0.00 C ATOM 396 OD1 ASP A 117 13.302 6.535 -4.484 1.00 0.00 O ATOM 397 OD2 ASP A 117 14.867 8.058 -4.242 1.00 0.00 O ATOM 0 H ASP A 117 13.414 7.259 0.487 1.00 0.00 H new ATOM 0 HA ASP A 117 12.810 5.749 -1.937 1.00 0.00 H new ATOM 0 HB2 ASP A 117 12.306 8.118 -2.541 1.00 0.00 H new ATOM 0 HB3 ASP A 117 13.914 8.584 -2.024 1.00 0.00 H new ATOM 402 N LEU A 118 14.980 5.144 -0.376 1.00 0.00 N ATOM 403 CA LEU A 118 16.295 4.603 -0.049 1.00 0.00 C ATOM 404 C LEU A 118 16.543 3.292 -0.789 1.00 0.00 C ATOM 405 O LEU A 118 15.597 2.611 -1.187 1.00 0.00 O ATOM 406 CB LEU A 118 16.413 4.381 1.461 1.00 0.00 C ATOM 407 CG LEU A 118 16.293 5.644 2.317 1.00 0.00 C ATOM 408 CD1 LEU A 118 16.373 5.295 3.795 1.00 0.00 C ATOM 409 CD2 LEU A 118 17.376 6.646 1.946 1.00 0.00 C ATOM 0 H LEU A 118 14.212 4.715 0.141 1.00 0.00 H new ATOM 0 HA LEU A 118 17.049 5.324 -0.365 1.00 0.00 H new ATOM 0 HB2 LEU A 118 15.640 3.677 1.770 1.00 0.00 H new ATOM 0 HB3 LEU A 118 17.374 3.911 1.669 1.00 0.00 H new ATOM 0 HG LEU A 118 15.322 6.100 2.123 1.00 0.00 H new ATOM 0 HD11 LEU A 118 16.286 6.205 4.389 1.00 0.00 H new ATOM 0 HD12 LEU A 118 15.561 4.614 4.053 1.00 0.00 H new ATOM 0 HD13 LEU A 118 17.329 4.815 4.004 1.00 0.00 H new ATOM 0 HD21 LEU A 118 17.274 7.537 2.565 1.00 0.00 H new ATOM 0 HD22 LEU A 118 18.357 6.200 2.111 1.00 0.00 H new ATOM 0 HD23 LEU A 118 17.274 6.920 0.896 1.00 0.00 H new ATOM 421 N PRO A 119 17.822 2.918 -0.983 1.00 0.00 N ATOM 422 CA PRO A 119 18.182 1.680 -1.678 1.00 0.00 C ATOM 423 C PRO A 119 17.333 0.498 -1.225 1.00 0.00 C ATOM 424 O PRO A 119 17.453 0.037 -0.089 1.00 0.00 O ATOM 425 CB PRO A 119 19.644 1.478 -1.285 1.00 0.00 C ATOM 426 CG PRO A 119 20.168 2.856 -1.066 1.00 0.00 C ATOM 427 CD PRO A 119 19.013 3.671 -0.543 1.00 0.00 C ATOM 0 HA PRO A 119 18.021 1.745 -2.754 1.00 0.00 H new ATOM 0 HB2 PRO A 119 19.732 0.872 -0.383 1.00 0.00 H new ATOM 0 HB3 PRO A 119 20.198 0.963 -2.070 1.00 0.00 H new ATOM 0 HG2 PRO A 119 20.993 2.849 -0.354 1.00 0.00 H new ATOM 0 HG3 PRO A 119 20.552 3.278 -1.995 1.00 0.00 H new ATOM 0 HD2 PRO A 119 19.049 3.764 0.542 1.00 0.00 H new ATOM 0 HD3 PRO A 119 19.020 4.682 -0.950 1.00 0.00 H new ATOM 435 N ALA A 120 16.475 0.019 -2.128 1.00 0.00 N ATOM 436 CA ALA A 120 15.584 -1.106 -1.849 1.00 0.00 C ATOM 437 C ALA A 120 14.450 -0.705 -0.905 1.00 0.00 C ATOM 438 O ALA A 120 13.309 -1.137 -1.080 1.00 0.00 O ATOM 439 CB ALA A 120 16.364 -2.283 -1.277 1.00 0.00 C ATOM 0 H ALA A 120 16.379 0.399 -3.070 1.00 0.00 H new ATOM 0 HA ALA A 120 15.136 -1.412 -2.795 1.00 0.00 H new ATOM 0 HB1 ALA A 120 15.681 -3.109 -1.077 1.00 0.00 H new ATOM 0 HB2 ALA A 120 17.119 -2.602 -1.995 1.00 0.00 H new ATOM 0 HB3 ALA A 120 16.850 -1.981 -0.349 1.00 0.00 H new ATOM 445 N LEU A 121 14.765 0.124 0.088 1.00 0.00 N ATOM 446 CA LEU A 121 13.773 0.586 1.049 1.00 0.00 C ATOM 447 C LEU A 121 13.119 -0.590 1.774 1.00 0.00 C ATOM 448 O LEU A 121 11.894 -0.700 1.826 1.00 0.00 O ATOM 449 CB LEU A 121 12.717 1.442 0.347 1.00 0.00 C ATOM 450 CG LEU A 121 11.799 2.236 1.278 1.00 0.00 C ATOM 451 CD1 LEU A 121 12.621 3.051 2.265 1.00 0.00 C ATOM 452 CD2 LEU A 121 10.878 3.138 0.471 1.00 0.00 C ATOM 0 H LEU A 121 15.704 0.489 0.246 1.00 0.00 H new ATOM 0 HA LEU A 121 14.280 1.197 1.796 1.00 0.00 H new ATOM 0 HB2 LEU A 121 13.223 2.140 -0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 121 12.102 0.793 -0.277 1.00 0.00 H new ATOM 0 HG LEU A 121 11.184 1.535 1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 121 11.953 3.610 2.920 1.00 0.00 H new ATOM 0 HD12 LEU A 121 13.240 2.382 2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 121 13.260 3.746 1.720 1.00 0.00 H new ATOM 0 HD21 LEU A 121 10.231 3.696 1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 121 11.475 3.835 -0.117 1.00 0.00 H new ATOM 0 HD23 LEU A 121 10.267 2.530 -0.196 1.00 0.00 H new ATOM 464 N ASP A 122 13.954 -1.467 2.330 1.00 0.00 N ATOM 465 CA ASP A 122 13.476 -2.639 3.057 1.00 0.00 C ATOM 466 C ASP A 122 12.965 -2.252 4.446 1.00 0.00 C ATOM 467 O ASP A 122 13.485 -2.716 5.462 1.00 0.00 O ATOM 468 CB ASP A 122 14.595 -3.677 3.179 1.00 0.00 C ATOM 469 CG ASP A 122 14.158 -4.922 3.925 1.00 0.00 C ATOM 470 OD1 ASP A 122 13.202 -5.583 3.471 1.00 0.00 O ATOM 471 OD2 ASP A 122 14.772 -5.235 4.967 1.00 0.00 O ATOM 0 H ASP A 122 14.970 -1.386 2.289 1.00 0.00 H new ATOM 0 HA ASP A 122 12.647 -3.072 2.497 1.00 0.00 H new ATOM 0 HB2 ASP A 122 14.936 -3.956 2.182 1.00 0.00 H new ATOM 0 HB3 ASP A 122 15.446 -3.230 3.693 1.00 0.00 H new ATOM 476 N GLY A 123 11.951 -1.395 4.484 1.00 0.00 N ATOM 477 CA GLY A 123 11.395 -0.956 5.750 1.00 0.00 C ATOM 478 C GLY A 123 10.084 -0.215 5.579 1.00 0.00 C ATOM 479 O GLY A 123 9.205 -0.290 6.439 1.00 0.00 O ATOM 0 H GLY A 123 11.503 -0.996 3.659 1.00 0.00 H new ATOM 0 HA2 GLY A 123 11.239 -1.821 6.395 1.00 0.00 H new ATOM 0 HA3 GLY A 123 12.112 -0.308 6.254 1.00 0.00 H new ATOM 483 N ALA A 124 9.959 0.504 4.468 1.00 0.00 N ATOM 484 CA ALA A 124 8.751 1.269 4.177 1.00 0.00 C ATOM 485 C ALA A 124 7.497 0.417 4.342 1.00 0.00 C ATOM 486 O ALA A 124 7.535 -0.802 4.179 1.00 0.00 O ATOM 487 CB ALA A 124 8.812 1.836 2.768 1.00 0.00 C ATOM 0 H ALA A 124 10.682 0.573 3.752 1.00 0.00 H new ATOM 0 HA ALA A 124 8.698 2.089 4.893 1.00 0.00 H new ATOM 0 HB1 ALA A 124 7.904 2.404 2.565 1.00 0.00 H new ATOM 0 HB2 ALA A 124 9.678 2.491 2.677 1.00 0.00 H new ATOM 0 HB3 ALA A 124 8.897 1.020 2.051 1.00 0.00 H new ATOM 493 N ARG A 125 6.387 1.070 4.667 1.00 0.00 N ATOM 494 CA ARG A 125 5.117 0.380 4.853 1.00 0.00 C ATOM 495 C ARG A 125 3.953 1.337 4.621 1.00 0.00 C ATOM 496 O ARG A 125 3.848 2.369 5.281 1.00 0.00 O ATOM 497 CB ARG A 125 5.038 -0.211 6.263 1.00 0.00 C ATOM 498 CG ARG A 125 3.730 -0.929 6.556 1.00 0.00 C ATOM 499 CD ARG A 125 3.703 -1.483 7.972 1.00 0.00 C ATOM 500 NE ARG A 125 2.434 -2.136 8.280 1.00 0.00 N ATOM 501 CZ ARG A 125 2.151 -2.679 9.461 1.00 0.00 C ATOM 502 NH1 ARG A 125 3.046 -2.648 10.440 1.00 0.00 N ATOM 503 NH2 ARG A 125 0.974 -3.253 9.663 1.00 0.00 N ATOM 0 H ARG A 125 6.342 2.079 4.807 1.00 0.00 H new ATOM 0 HA ARG A 125 5.053 -0.430 4.127 1.00 0.00 H new ATOM 0 HB2 ARG A 125 5.864 -0.909 6.401 1.00 0.00 H new ATOM 0 HB3 ARG A 125 5.173 0.590 6.990 1.00 0.00 H new ATOM 0 HG2 ARG A 125 2.897 -0.240 6.418 1.00 0.00 H new ATOM 0 HG3 ARG A 125 3.593 -1.742 5.843 1.00 0.00 H new ATOM 0 HD2 ARG A 125 4.518 -2.196 8.098 1.00 0.00 H new ATOM 0 HD3 ARG A 125 3.876 -0.674 8.681 1.00 0.00 H new ATOM 0 HE ARG A 125 1.724 -2.178 7.548 1.00 0.00 H new ATOM 0 HH11 ARG A 125 3.953 -2.207 10.288 1.00 0.00 H new ATOM 0 HH12 ARG A 125 2.827 -3.065 11.345 1.00 0.00 H new ATOM 0 HH21 ARG A 125 0.284 -3.279 8.913 1.00 0.00 H new ATOM 0 HH22 ARG A 125 0.758 -3.669 10.569 1.00 0.00 H new ATOM 517 N VAL A 126 3.084 0.995 3.675 1.00 0.00 N ATOM 518 CA VAL A 126 1.939 1.840 3.362 1.00 0.00 C ATOM 519 C VAL A 126 0.624 1.182 3.764 1.00 0.00 C ATOM 520 O VAL A 126 0.400 -0.004 3.510 1.00 0.00 O ATOM 521 CB VAL A 126 1.896 2.208 1.867 1.00 0.00 C ATOM 522 CG1 VAL A 126 3.112 3.037 1.488 1.00 0.00 C ATOM 523 CG2 VAL A 126 1.811 0.961 1.004 1.00 0.00 C ATOM 0 H VAL A 126 3.150 0.145 3.116 1.00 0.00 H new ATOM 0 HA VAL A 126 2.063 2.753 3.944 1.00 0.00 H new ATOM 0 HB VAL A 126 1.001 2.804 1.690 1.00 0.00 H new ATOM 0 HG11 VAL A 126 3.065 3.288 0.428 1.00 0.00 H new ATOM 0 HG12 VAL A 126 3.126 3.954 2.078 1.00 0.00 H new ATOM 0 HG13 VAL A 126 4.018 2.465 1.686 1.00 0.00 H new ATOM 0 HG21 VAL A 126 1.782 1.247 -0.047 1.00 0.00 H new ATOM 0 HG22 VAL A 126 2.683 0.333 1.185 1.00 0.00 H new ATOM 0 HG23 VAL A 126 0.907 0.406 1.254 1.00 0.00 H new ATOM 533 N GLU A 127 -0.238 1.969 4.402 1.00 0.00 N ATOM 534 CA GLU A 127 -1.539 1.491 4.856 1.00 0.00 C ATOM 535 C GLU A 127 -2.592 1.630 3.760 1.00 0.00 C ATOM 536 O GLU A 127 -2.608 2.614 3.021 1.00 0.00 O ATOM 537 CB GLU A 127 -1.985 2.266 6.100 1.00 0.00 C ATOM 538 CG GLU A 127 -1.269 1.860 7.383 1.00 0.00 C ATOM 539 CD GLU A 127 0.228 2.101 7.339 1.00 0.00 C ATOM 540 OE1 GLU A 127 0.925 1.396 6.579 1.00 0.00 O ATOM 541 OE2 GLU A 127 0.705 2.998 8.066 1.00 0.00 O ATOM 0 H GLU A 127 -0.056 2.949 4.617 1.00 0.00 H new ATOM 0 HA GLU A 127 -1.437 0.435 5.104 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -1.822 3.330 5.928 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -3.057 2.125 6.236 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -1.695 2.415 8.219 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -1.454 0.803 7.575 1.00 0.00 H new ATOM 548 N PHE A 128 -3.479 0.644 3.671 1.00 0.00 N ATOM 549 CA PHE A 128 -4.548 0.659 2.677 1.00 0.00 C ATOM 550 C PHE A 128 -5.910 0.699 3.359 1.00 0.00 C ATOM 551 O PHE A 128 -6.127 0.034 4.372 1.00 0.00 O ATOM 552 CB PHE A 128 -4.472 -0.567 1.764 1.00 0.00 C ATOM 553 CG PHE A 128 -3.185 -0.688 0.999 1.00 0.00 C ATOM 554 CD1 PHE A 128 -2.002 -0.989 1.649 1.00 0.00 C ATOM 555 CD2 PHE A 128 -3.165 -0.515 -0.376 1.00 0.00 C ATOM 556 CE1 PHE A 128 -0.821 -1.112 0.944 1.00 0.00 C ATOM 557 CE2 PHE A 128 -1.987 -0.637 -1.087 1.00 0.00 C ATOM 558 CZ PHE A 128 -0.813 -0.936 -0.425 1.00 0.00 C ATOM 0 H PHE A 128 -3.479 -0.177 4.276 1.00 0.00 H new ATOM 0 HA PHE A 128 -4.420 1.555 2.070 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -4.608 -1.464 2.368 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -5.300 -0.530 1.056 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -2.002 -1.129 2.720 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -4.081 -0.282 -0.898 1.00 0.00 H new ATOM 0 HE1 PHE A 128 0.096 -1.346 1.464 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -1.984 -0.499 -2.158 1.00 0.00 H new ATOM 0 HZ PHE A 128 0.110 -1.032 -0.977 1.00 0.00 H new ATOM 568 N ARG A 129 -6.826 1.477 2.795 1.00 0.00 N ATOM 569 CA ARG A 129 -8.169 1.597 3.347 1.00 0.00 C ATOM 570 C ARG A 129 -9.126 2.176 2.312 1.00 0.00 C ATOM 571 O ARG A 129 -8.829 3.187 1.675 1.00 0.00 O ATOM 572 CB ARG A 129 -8.160 2.473 4.601 1.00 0.00 C ATOM 573 CG ARG A 129 -7.622 3.870 4.366 1.00 0.00 C ATOM 574 CD ARG A 129 -7.705 4.740 5.616 1.00 0.00 C ATOM 575 NE ARG A 129 -6.898 4.219 6.722 1.00 0.00 N ATOM 576 CZ ARG A 129 -7.300 3.259 7.553 1.00 0.00 C ATOM 577 NH1 ARG A 129 -8.524 2.756 7.454 1.00 0.00 N ATOM 578 NH2 ARG A 129 -6.484 2.818 8.500 1.00 0.00 N ATOM 0 H ARG A 129 -6.663 2.034 1.956 1.00 0.00 H new ATOM 0 HA ARG A 129 -8.513 0.599 3.620 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -9.176 2.545 4.990 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -7.559 1.986 5.369 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -6.584 3.807 4.038 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -8.183 4.342 3.559 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -7.373 5.750 5.374 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -8.745 4.814 5.934 1.00 0.00 H new ATOM 0 HE ARG A 129 -5.970 4.617 6.865 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -9.162 3.104 6.739 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -8.827 2.021 8.093 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -5.548 3.214 8.592 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -6.792 2.083 9.137 1.00 0.00 H new ATOM 592 N CYS A 130 -10.270 1.524 2.146 1.00 0.00 N ATOM 593 CA CYS A 130 -11.266 1.973 1.180 1.00 0.00 C ATOM 594 C CYS A 130 -12.235 2.967 1.818 1.00 0.00 C ATOM 595 O CYS A 130 -12.425 2.971 3.034 1.00 0.00 O ATOM 596 CB CYS A 130 -12.029 0.777 0.609 1.00 0.00 C ATOM 597 SG CYS A 130 -12.880 1.133 -0.961 1.00 0.00 S ATOM 0 H CYS A 130 -10.531 0.686 2.665 1.00 0.00 H new ATOM 0 HA CYS A 130 -10.747 2.479 0.366 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -11.333 -0.047 0.456 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -12.763 0.442 1.342 1.00 0.00 H new ATOM 602 N ASP A 131 -12.835 3.816 0.985 1.00 0.00 N ATOM 603 CA ASP A 131 -13.776 4.832 1.454 1.00 0.00 C ATOM 604 C ASP A 131 -14.881 4.218 2.313 1.00 0.00 C ATOM 605 O ASP A 131 -15.229 3.050 2.147 1.00 0.00 O ATOM 606 CB ASP A 131 -14.394 5.570 0.264 1.00 0.00 C ATOM 607 CG ASP A 131 -13.362 6.331 -0.546 1.00 0.00 C ATOM 608 OD1 ASP A 131 -12.171 6.307 -0.168 1.00 0.00 O ATOM 609 OD2 ASP A 131 -13.745 6.954 -1.558 1.00 0.00 O ATOM 0 H ASP A 131 -12.685 3.820 -0.024 1.00 0.00 H new ATOM 0 HA ASP A 131 -13.220 5.539 2.071 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -14.901 4.852 -0.381 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -15.152 6.265 0.625 1.00 0.00 H new ATOM 614 N PRO A 132 -15.436 5.009 3.256 1.00 0.00 N ATOM 615 CA PRO A 132 -16.501 4.556 4.166 1.00 0.00 C ATOM 616 C PRO A 132 -17.745 4.058 3.433 1.00 0.00 C ATOM 617 O PRO A 132 -18.763 4.748 3.374 1.00 0.00 O ATOM 618 CB PRO A 132 -16.835 5.806 4.988 1.00 0.00 C ATOM 619 CG PRO A 132 -15.632 6.676 4.876 1.00 0.00 C ATOM 620 CD PRO A 132 -15.058 6.411 3.515 1.00 0.00 C ATOM 0 HA PRO A 132 -16.172 3.707 4.765 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -17.722 6.307 4.600 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -17.042 5.551 6.027 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -15.898 7.727 4.990 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -14.908 6.444 5.657 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -15.473 7.085 2.765 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -13.976 6.545 3.501 1.00 0.00 H new ATOM 628 N ASP A 133 -17.655 2.849 2.891 1.00 0.00 N ATOM 629 CA ASP A 133 -18.762 2.232 2.172 1.00 0.00 C ATOM 630 C ASP A 133 -18.357 0.839 1.702 1.00 0.00 C ATOM 631 O ASP A 133 -19.136 -0.110 1.783 1.00 0.00 O ATOM 632 CB ASP A 133 -19.185 3.092 0.978 1.00 0.00 C ATOM 633 CG ASP A 133 -20.498 2.631 0.374 1.00 0.00 C ATOM 634 OD1 ASP A 133 -21.514 2.624 1.101 1.00 0.00 O ATOM 635 OD2 ASP A 133 -20.512 2.280 -0.823 1.00 0.00 O ATOM 0 H ASP A 133 -16.816 2.271 2.937 1.00 0.00 H new ATOM 0 HA ASP A 133 -19.613 2.151 2.848 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -19.278 4.130 1.296 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -18.406 3.061 0.216 1.00 0.00 H new ATOM 640 N PHE A 134 -17.118 0.729 1.236 1.00 0.00 N ATOM 641 CA PHE A 134 -16.574 -0.542 0.774 1.00 0.00 C ATOM 642 C PHE A 134 -15.532 -1.041 1.766 1.00 0.00 C ATOM 643 O PHE A 134 -14.815 -0.244 2.371 1.00 0.00 O ATOM 644 CB PHE A 134 -15.928 -0.396 -0.608 1.00 0.00 C ATOM 645 CG PHE A 134 -16.863 0.064 -1.692 1.00 0.00 C ATOM 646 CD1 PHE A 134 -17.441 1.322 -1.646 1.00 0.00 C ATOM 647 CD2 PHE A 134 -17.146 -0.760 -2.770 1.00 0.00 C ATOM 648 CE1 PHE A 134 -18.289 1.748 -2.652 1.00 0.00 C ATOM 649 CE2 PHE A 134 -17.991 -0.339 -3.779 1.00 0.00 C ATOM 650 CZ PHE A 134 -18.564 0.916 -3.719 1.00 0.00 C ATOM 0 H PHE A 134 -16.467 1.511 1.168 1.00 0.00 H new ATOM 0 HA PHE A 134 -17.393 -1.257 0.700 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -15.102 0.311 -0.535 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -15.501 -1.356 -0.898 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -17.227 1.978 -0.815 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -16.701 -1.743 -2.822 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -18.736 2.730 -2.603 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -18.203 -0.991 -4.614 1.00 0.00 H new ATOM 0 HZ PHE A 134 -19.226 1.246 -4.506 1.00 0.00 H new ATOM 660 N HIS A 135 -15.445 -2.353 1.936 1.00 0.00 N ATOM 661 CA HIS A 135 -14.480 -2.926 2.864 1.00 0.00 C ATOM 662 C HIS A 135 -13.261 -3.463 2.131 1.00 0.00 C ATOM 663 O HIS A 135 -13.370 -4.060 1.057 1.00 0.00 O ATOM 664 CB HIS A 135 -15.121 -4.032 3.700 1.00 0.00 C ATOM 665 CG HIS A 135 -15.803 -5.083 2.887 1.00 0.00 C ATOM 666 ND1 HIS A 135 -15.153 -5.867 1.959 1.00 0.00 N ATOM 667 CD2 HIS A 135 -17.093 -5.475 2.873 1.00 0.00 C ATOM 668 CE1 HIS A 135 -16.019 -6.699 1.407 1.00 0.00 C ATOM 669 NE2 HIS A 135 -17.203 -6.481 1.946 1.00 0.00 N ATOM 0 H HIS A 135 -16.025 -3.036 1.448 1.00 0.00 H new ATOM 0 HA HIS A 135 -14.153 -2.128 3.531 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -14.353 -4.502 4.314 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -15.845 -3.586 4.382 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -17.891 -5.072 3.479 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -15.796 -7.431 0.645 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -18.061 -6.979 1.712 1.00 0.00 H new ATOM 678 N LEU A 136 -12.099 -3.237 2.728 1.00 0.00 N ATOM 679 CA LEU A 136 -10.834 -3.685 2.159 1.00 0.00 C ATOM 680 C LEU A 136 -10.628 -5.169 2.450 1.00 0.00 C ATOM 681 O LEU A 136 -10.716 -5.604 3.598 1.00 0.00 O ATOM 682 CB LEU A 136 -9.680 -2.851 2.733 1.00 0.00 C ATOM 683 CG LEU A 136 -8.337 -2.964 2.000 1.00 0.00 C ATOM 684 CD1 LEU A 136 -7.736 -4.348 2.173 1.00 0.00 C ATOM 685 CD2 LEU A 136 -8.504 -2.634 0.523 1.00 0.00 C ATOM 0 H LEU A 136 -12.006 -2.741 3.615 1.00 0.00 H new ATOM 0 HA LEU A 136 -10.855 -3.547 1.078 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -9.982 -1.804 2.737 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -9.529 -3.143 3.772 1.00 0.00 H new ATOM 0 HG LEU A 136 -7.651 -2.241 2.441 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -6.785 -4.400 1.643 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -7.573 -4.544 3.233 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -8.419 -5.094 1.767 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -7.541 -2.720 0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -9.212 -3.330 0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -8.879 -1.616 0.418 1.00 0.00 H new ATOM 697 N VAL A 137 -10.363 -5.946 1.404 1.00 0.00 N ATOM 698 CA VAL A 137 -10.157 -7.382 1.551 1.00 0.00 C ATOM 699 C VAL A 137 -8.910 -7.849 0.804 1.00 0.00 C ATOM 700 O VAL A 137 -9.008 -8.528 -0.218 1.00 0.00 O ATOM 701 CB VAL A 137 -11.377 -8.175 1.042 1.00 0.00 C ATOM 702 CG1 VAL A 137 -11.195 -9.666 1.284 1.00 0.00 C ATOM 703 CG2 VAL A 137 -12.652 -7.676 1.701 1.00 0.00 C ATOM 0 H VAL A 137 -10.286 -5.605 0.446 1.00 0.00 H new ATOM 0 HA VAL A 137 -10.023 -7.572 2.616 1.00 0.00 H new ATOM 0 HB VAL A 137 -11.461 -8.015 -0.033 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -12.069 -10.204 0.916 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -10.307 -10.014 0.757 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -11.079 -9.850 2.352 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -13.502 -8.248 1.329 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -12.576 -7.800 2.781 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -12.794 -6.621 1.466 1.00 0.00 H new ATOM 713 N GLY A 138 -7.735 -7.487 1.313 1.00 0.00 N ATOM 714 CA GLY A 138 -6.506 -7.895 0.661 1.00 0.00 C ATOM 715 C GLY A 138 -5.270 -7.356 1.346 1.00 0.00 C ATOM 716 O GLY A 138 -5.117 -7.487 2.559 1.00 0.00 O ATOM 0 H GLY A 138 -7.614 -6.925 2.156 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -6.457 -8.984 0.638 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -6.519 -7.554 -0.374 1.00 0.00 H new ATOM 720 N SER A 139 -4.384 -6.757 0.557 1.00 0.00 N ATOM 721 CA SER A 139 -3.146 -6.191 1.076 1.00 0.00 C ATOM 722 C SER A 139 -3.407 -4.902 1.843 1.00 0.00 C ATOM 723 O SER A 139 -2.859 -3.850 1.512 1.00 0.00 O ATOM 724 CB SER A 139 -2.167 -5.924 -0.066 1.00 0.00 C ATOM 725 OG SER A 139 -1.017 -5.238 0.395 1.00 0.00 O ATOM 0 H SER A 139 -4.503 -6.651 -0.451 1.00 0.00 H new ATOM 0 HA SER A 139 -2.710 -6.916 1.763 1.00 0.00 H new ATOM 0 HB2 SER A 139 -1.871 -6.868 -0.523 1.00 0.00 H new ATOM 0 HB3 SER A 139 -2.659 -5.335 -0.840 1.00 0.00 H new ATOM 0 HG SER A 139 -1.288 -4.410 0.843 1.00 0.00 H new ATOM 731 N SER A 140 -4.239 -4.989 2.873 1.00 0.00 N ATOM 732 CA SER A 140 -4.563 -3.840 3.690 1.00 0.00 C ATOM 733 C SER A 140 -3.280 -3.160 4.162 1.00 0.00 C ATOM 734 O SER A 140 -3.257 -1.960 4.425 1.00 0.00 O ATOM 735 CB SER A 140 -5.416 -4.281 4.877 1.00 0.00 C ATOM 736 OG SER A 140 -4.679 -5.111 5.757 1.00 0.00 O ATOM 0 H SER A 140 -4.701 -5.852 3.159 1.00 0.00 H new ATOM 0 HA SER A 140 -5.133 -3.121 3.102 1.00 0.00 H new ATOM 0 HB2 SER A 140 -5.776 -3.404 5.416 1.00 0.00 H new ATOM 0 HB3 SER A 140 -6.295 -4.817 4.518 1.00 0.00 H new ATOM 0 HG SER A 140 -5.248 -5.378 6.509 1.00 0.00 H new ATOM 742 N ARG A 141 -2.209 -3.946 4.248 1.00 0.00 N ATOM 743 CA ARG A 141 -0.906 -3.443 4.664 1.00 0.00 C ATOM 744 C ARG A 141 0.202 -4.091 3.833 1.00 0.00 C ATOM 745 O ARG A 141 0.251 -5.313 3.701 1.00 0.00 O ATOM 746 CB ARG A 141 -0.683 -3.716 6.153 1.00 0.00 C ATOM 747 CG ARG A 141 -0.821 -5.181 6.532 1.00 0.00 C ATOM 748 CD ARG A 141 -0.681 -5.385 8.033 1.00 0.00 C ATOM 749 NE ARG A 141 -0.822 -6.788 8.412 1.00 0.00 N ATOM 750 CZ ARG A 141 0.024 -7.745 8.041 1.00 0.00 C ATOM 751 NH1 ARG A 141 1.082 -7.450 7.298 1.00 0.00 N ATOM 752 NH2 ARG A 141 -0.185 -8.999 8.418 1.00 0.00 N ATOM 0 H ARG A 141 -2.221 -4.943 4.032 1.00 0.00 H new ATOM 0 HA ARG A 141 -0.879 -2.366 4.500 1.00 0.00 H new ATOM 0 HB2 ARG A 141 0.312 -3.370 6.432 1.00 0.00 H new ATOM 0 HB3 ARG A 141 -1.398 -3.131 6.732 1.00 0.00 H new ATOM 0 HG2 ARG A 141 -1.791 -5.553 6.202 1.00 0.00 H new ATOM 0 HG3 ARG A 141 -0.062 -5.765 6.012 1.00 0.00 H new ATOM 0 HD2 ARG A 141 0.292 -5.018 8.359 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -1.435 -4.792 8.551 1.00 0.00 H new ATOM 0 HE ARG A 141 -1.616 -7.050 8.996 1.00 0.00 H new ATOM 0 HH11 ARG A 141 1.249 -6.486 7.009 1.00 0.00 H new ATOM 0 HH12 ARG A 141 1.728 -8.187 7.016 1.00 0.00 H new ATOM 0 HH21 ARG A 141 -0.995 -9.230 8.993 1.00 0.00 H new ATOM 0 HH22 ARG A 141 0.464 -9.732 8.133 1.00 0.00 H new ATOM 766 N SER A 142 1.083 -3.268 3.265 1.00 0.00 N ATOM 767 CA SER A 142 2.180 -3.777 2.440 1.00 0.00 C ATOM 768 C SER A 142 3.524 -3.262 2.939 1.00 0.00 C ATOM 769 O SER A 142 3.712 -2.058 3.116 1.00 0.00 O ATOM 770 CB SER A 142 1.981 -3.359 0.982 1.00 0.00 C ATOM 771 OG SER A 142 2.049 -1.952 0.841 1.00 0.00 O ATOM 0 H SER A 142 1.060 -2.253 3.359 1.00 0.00 H new ATOM 0 HA SER A 142 2.177 -4.865 2.510 1.00 0.00 H new ATOM 0 HB2 SER A 142 2.743 -3.827 0.359 1.00 0.00 H new ATOM 0 HB3 SER A 142 1.015 -3.717 0.627 1.00 0.00 H new ATOM 0 HG SER A 142 2.954 -1.694 0.567 1.00 0.00 H new ATOM 777 N VAL A 143 4.461 -4.180 3.154 1.00 0.00 N ATOM 778 CA VAL A 143 5.791 -3.815 3.621 1.00 0.00 C ATOM 779 C VAL A 143 6.800 -3.863 2.480 1.00 0.00 C ATOM 780 O VAL A 143 7.043 -4.920 1.896 1.00 0.00 O ATOM 781 CB VAL A 143 6.266 -4.745 4.756 1.00 0.00 C ATOM 782 CG1 VAL A 143 7.700 -4.425 5.152 1.00 0.00 C ATOM 783 CG2 VAL A 143 5.337 -4.635 5.956 1.00 0.00 C ATOM 0 H VAL A 143 4.323 -5.181 3.012 1.00 0.00 H new ATOM 0 HA VAL A 143 5.726 -2.797 4.005 1.00 0.00 H new ATOM 0 HB VAL A 143 6.238 -5.772 4.393 1.00 0.00 H new ATOM 0 HG11 VAL A 143 8.014 -5.093 5.954 1.00 0.00 H new ATOM 0 HG12 VAL A 143 8.354 -4.560 4.291 1.00 0.00 H new ATOM 0 HG13 VAL A 143 7.761 -3.392 5.496 1.00 0.00 H new ATOM 0 HG21 VAL A 143 5.686 -5.297 6.748 1.00 0.00 H new ATOM 0 HG22 VAL A 143 5.331 -3.607 6.319 1.00 0.00 H new ATOM 0 HG23 VAL A 143 4.327 -4.922 5.662 1.00 0.00 H new ATOM 793 N CYS A 144 7.386 -2.713 2.169 1.00 0.00 N ATOM 794 CA CYS A 144 8.373 -2.621 1.101 1.00 0.00 C ATOM 795 C CYS A 144 9.613 -3.439 1.449 1.00 0.00 C ATOM 796 O CYS A 144 10.091 -3.404 2.583 1.00 0.00 O ATOM 797 CB CYS A 144 8.754 -1.158 0.856 1.00 0.00 C ATOM 798 SG CYS A 144 9.892 -0.906 -0.544 1.00 0.00 S ATOM 0 H CYS A 144 7.194 -1.830 2.642 1.00 0.00 H new ATOM 0 HA CYS A 144 7.935 -3.026 0.189 1.00 0.00 H new ATOM 0 HB2 CYS A 144 7.845 -0.583 0.679 1.00 0.00 H new ATOM 0 HB3 CYS A 144 9.214 -0.758 1.760 1.00 0.00 H new ATOM 803 N SER A 145 10.128 -4.179 0.471 1.00 0.00 N ATOM 804 CA SER A 145 11.309 -5.009 0.684 1.00 0.00 C ATOM 805 C SER A 145 11.921 -5.448 -0.642 1.00 0.00 C ATOM 806 O SER A 145 11.227 -5.951 -1.521 1.00 0.00 O ATOM 807 CB SER A 145 10.941 -6.242 1.513 1.00 0.00 C ATOM 808 OG SER A 145 12.058 -7.097 1.679 1.00 0.00 O ATOM 0 H SER A 145 9.747 -4.221 -0.474 1.00 0.00 H new ATOM 0 HA SER A 145 12.046 -4.413 1.222 1.00 0.00 H new ATOM 0 HB2 SER A 145 10.570 -5.930 2.489 1.00 0.00 H new ATOM 0 HB3 SER A 145 10.133 -6.785 1.023 1.00 0.00 H new ATOM 0 HG SER A 145 12.610 -6.773 2.421 1.00 0.00 H new ATOM 814 N GLN A 146 13.231 -5.256 -0.773 1.00 0.00 N ATOM 815 CA GLN A 146 13.945 -5.632 -1.989 1.00 0.00 C ATOM 816 C GLN A 146 13.331 -4.941 -3.207 1.00 0.00 C ATOM 817 O GLN A 146 13.144 -5.550 -4.261 1.00 0.00 O ATOM 818 CB GLN A 146 13.925 -7.155 -2.162 1.00 0.00 C ATOM 819 CG GLN A 146 14.812 -7.662 -3.288 1.00 0.00 C ATOM 820 CD GLN A 146 14.859 -9.176 -3.358 1.00 0.00 C ATOM 821 OE1 GLN A 146 14.434 -9.732 -4.488 1.00 0.00 O flip ATOM 822 NE2 GLN A 146 15.271 -9.840 -2.408 1.00 0.00 N flip ATOM 0 H GLN A 146 13.820 -4.842 -0.051 1.00 0.00 H new ATOM 0 HA GLN A 146 14.982 -5.306 -1.902 1.00 0.00 H new ATOM 0 HB2 GLN A 146 14.240 -7.620 -1.228 1.00 0.00 H new ATOM 0 HB3 GLN A 146 12.900 -7.476 -2.348 1.00 0.00 H new ATOM 0 HG2 GLN A 146 14.447 -7.269 -4.237 1.00 0.00 H new ATOM 0 HG3 GLN A 146 15.822 -7.277 -3.151 1.00 0.00 H new ATOM 0 HE21 GLN A 146 15.588 -9.373 -1.559 1.00 0.00 H new ATOM 0 HE22 GLN A 146 15.296 -10.858 -2.470 1.00 0.00 H new ATOM 831 N GLY A 147 13.020 -3.657 -3.047 1.00 0.00 N ATOM 832 CA GLY A 147 12.433 -2.884 -4.128 1.00 0.00 C ATOM 833 C GLY A 147 11.096 -3.442 -4.599 1.00 0.00 C ATOM 834 O GLY A 147 10.631 -3.107 -5.689 1.00 0.00 O ATOM 0 H GLY A 147 13.165 -3.136 -2.182 1.00 0.00 H new ATOM 0 HA2 GLY A 147 12.295 -1.854 -3.798 1.00 0.00 H new ATOM 0 HA3 GLY A 147 13.127 -2.859 -4.968 1.00 0.00 H new ATOM 838 N GLN A 148 10.474 -4.291 -3.779 1.00 0.00 N ATOM 839 CA GLN A 148 9.181 -4.887 -4.124 1.00 0.00 C ATOM 840 C GLN A 148 8.291 -5.031 -2.885 1.00 0.00 C ATOM 841 O GLN A 148 8.750 -5.473 -1.833 1.00 0.00 O ATOM 842 CB GLN A 148 9.386 -6.253 -4.787 1.00 0.00 C ATOM 843 CG GLN A 148 10.064 -7.273 -3.887 1.00 0.00 C ATOM 844 CD GLN A 148 10.321 -8.594 -4.585 1.00 0.00 C ATOM 845 OE1 GLN A 148 9.395 -9.244 -5.071 1.00 0.00 O ATOM 846 NE2 GLN A 148 11.584 -9.001 -4.634 1.00 0.00 N ATOM 0 H GLN A 148 10.843 -4.581 -2.873 1.00 0.00 H new ATOM 0 HA GLN A 148 8.680 -4.222 -4.827 1.00 0.00 H new ATOM 0 HB2 GLN A 148 8.418 -6.644 -5.100 1.00 0.00 H new ATOM 0 HB3 GLN A 148 9.984 -6.123 -5.689 1.00 0.00 H new ATOM 0 HG2 GLN A 148 11.010 -6.865 -3.532 1.00 0.00 H new ATOM 0 HG3 GLN A 148 9.442 -7.446 -3.009 1.00 0.00 H new ATOM 0 HE21 GLN A 148 12.320 -8.430 -4.218 1.00 0.00 H new ATOM 0 HE22 GLN A 148 11.818 -9.884 -5.088 1.00 0.00 H new ATOM 855 N TRP A 149 7.019 -4.657 -3.015 1.00 0.00 N ATOM 856 CA TRP A 149 6.081 -4.752 -1.895 1.00 0.00 C ATOM 857 C TRP A 149 5.777 -6.206 -1.555 1.00 0.00 C ATOM 858 O TRP A 149 5.529 -7.023 -2.442 1.00 0.00 O ATOM 859 CB TRP A 149 4.772 -4.023 -2.205 1.00 0.00 C ATOM 860 CG TRP A 149 4.937 -2.550 -2.418 1.00 0.00 C ATOM 861 CD1 TRP A 149 5.054 -1.902 -3.612 1.00 0.00 C ATOM 862 CD2 TRP A 149 5.016 -1.543 -1.403 1.00 0.00 C ATOM 863 NE1 TRP A 149 5.194 -0.551 -3.403 1.00 0.00 N ATOM 864 CE2 TRP A 149 5.175 -0.307 -2.055 1.00 0.00 C ATOM 865 CE3 TRP A 149 4.966 -1.568 -0.007 1.00 0.00 C ATOM 866 CZ2 TRP A 149 5.283 0.894 -1.359 1.00 0.00 C ATOM 867 CZ3 TRP A 149 5.074 -0.375 0.683 1.00 0.00 C ATOM 868 CH2 TRP A 149 5.231 0.841 0.006 1.00 0.00 C ATOM 0 H TRP A 149 6.616 -4.288 -3.876 1.00 0.00 H new ATOM 0 HA TRP A 149 6.558 -4.277 -1.038 1.00 0.00 H new ATOM 0 HB2 TRP A 149 4.325 -4.462 -3.097 1.00 0.00 H new ATOM 0 HB3 TRP A 149 4.073 -4.186 -1.385 1.00 0.00 H new ATOM 0 HD1 TRP A 149 5.039 -2.380 -4.580 1.00 0.00 H new ATOM 0 HE1 TRP A 149 5.295 0.155 -4.132 1.00 0.00 H new ATOM 0 HE3 TRP A 149 4.845 -2.501 0.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 5.403 1.833 -1.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 5.037 -0.381 1.762 1.00 0.00 H new ATOM 0 HH2 TRP A 149 5.313 1.756 0.574 1.00 0.00 H new ATOM 879 N SER A 150 5.789 -6.520 -0.263 1.00 0.00 N ATOM 880 CA SER A 150 5.503 -7.873 0.196 1.00 0.00 C ATOM 881 C SER A 150 4.127 -8.330 -0.282 1.00 0.00 C ATOM 882 O SER A 150 3.998 -9.370 -0.928 1.00 0.00 O ATOM 883 CB SER A 150 5.574 -7.942 1.723 1.00 0.00 C ATOM 884 OG SER A 150 5.306 -9.254 2.187 1.00 0.00 O ATOM 0 H SER A 150 5.994 -5.856 0.483 1.00 0.00 H new ATOM 0 HA SER A 150 6.255 -8.540 -0.226 1.00 0.00 H new ATOM 0 HB2 SER A 150 6.563 -7.629 2.059 1.00 0.00 H new ATOM 0 HB3 SER A 150 4.855 -7.246 2.155 1.00 0.00 H new ATOM 0 HG SER A 150 5.359 -9.272 3.165 1.00 0.00 H new ATOM 890 N THR A 151 3.099 -7.544 0.038 1.00 0.00 N ATOM 891 CA THR A 151 1.736 -7.873 -0.361 1.00 0.00 C ATOM 892 C THR A 151 1.268 -7.010 -1.536 1.00 0.00 C ATOM 893 O THR A 151 1.428 -5.789 -1.521 1.00 0.00 O ATOM 894 CB THR A 151 0.760 -7.699 0.816 1.00 0.00 C ATOM 895 OG1 THR A 151 0.916 -6.396 1.390 1.00 0.00 O ATOM 896 CG2 THR A 151 1.002 -8.758 1.881 1.00 0.00 C ATOM 0 H THR A 151 3.186 -6.678 0.571 1.00 0.00 H new ATOM 0 HA THR A 151 1.742 -8.917 -0.675 1.00 0.00 H new ATOM 0 HB THR A 151 -0.256 -7.812 0.438 1.00 0.00 H new ATOM 0 HG1 THR A 151 0.448 -5.737 0.837 1.00 0.00 H new ATOM 0 HG21 THR A 151 0.300 -8.615 2.703 1.00 0.00 H new ATOM 0 HG22 THR A 151 0.857 -9.748 1.449 1.00 0.00 H new ATOM 0 HG23 THR A 151 2.022 -8.671 2.255 1.00 0.00 H new ATOM 904 N PRO A 152 0.681 -7.639 -2.574 1.00 0.00 N ATOM 905 CA PRO A 152 0.187 -6.926 -3.761 1.00 0.00 C ATOM 906 C PRO A 152 -1.036 -6.067 -3.458 1.00 0.00 C ATOM 907 O PRO A 152 -1.946 -6.501 -2.755 1.00 0.00 O ATOM 908 CB PRO A 152 -0.180 -8.054 -4.727 1.00 0.00 C ATOM 909 CG PRO A 152 -0.469 -9.222 -3.853 1.00 0.00 C ATOM 910 CD PRO A 152 0.451 -9.093 -2.671 1.00 0.00 C ATOM 0 HA PRO A 152 0.930 -6.233 -4.155 1.00 0.00 H new ATOM 0 HB2 PRO A 152 -1.046 -7.790 -5.333 1.00 0.00 H new ATOM 0 HB3 PRO A 152 0.638 -8.267 -5.415 1.00 0.00 H new ATOM 0 HG2 PRO A 152 -1.512 -9.224 -3.537 1.00 0.00 H new ATOM 0 HG3 PRO A 152 -0.294 -10.158 -4.383 1.00 0.00 H new ATOM 0 HD2 PRO A 152 -0.003 -9.489 -1.763 1.00 0.00 H new ATOM 0 HD3 PRO A 152 1.382 -9.638 -2.825 1.00 0.00 H new ATOM 918 N LYS A 153 -1.044 -4.847 -3.992 1.00 0.00 N ATOM 919 CA LYS A 153 -2.146 -3.906 -3.781 1.00 0.00 C ATOM 920 C LYS A 153 -3.504 -4.614 -3.826 1.00 0.00 C ATOM 921 O LYS A 153 -3.792 -5.364 -4.759 1.00 0.00 O ATOM 922 CB LYS A 153 -2.094 -2.803 -4.841 1.00 0.00 C ATOM 923 CG LYS A 153 -3.068 -1.663 -4.596 1.00 0.00 C ATOM 924 CD LYS A 153 -2.950 -0.597 -5.673 1.00 0.00 C ATOM 925 CE LYS A 153 -3.836 0.599 -5.372 1.00 0.00 C ATOM 926 NZ LYS A 153 -3.745 1.639 -6.434 1.00 0.00 N ATOM 0 H LYS A 153 -0.293 -4.483 -4.579 1.00 0.00 H new ATOM 0 HA LYS A 153 -2.032 -3.467 -2.790 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -1.082 -2.400 -4.882 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -2.302 -3.241 -5.817 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -4.087 -2.050 -4.574 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -2.874 -1.220 -3.619 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -1.913 -0.272 -5.752 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -3.226 -1.022 -6.638 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -4.870 0.269 -5.275 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -3.548 1.032 -4.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -3.705 2.581 -5.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -2.886 1.484 -6.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -4.581 1.580 -7.050 1.00 0.00 H new ATOM 940 N PRO A 154 -4.353 -4.392 -2.801 1.00 0.00 N ATOM 941 CA PRO A 154 -5.678 -5.018 -2.713 1.00 0.00 C ATOM 942 C PRO A 154 -6.726 -4.335 -3.589 1.00 0.00 C ATOM 943 O PRO A 154 -6.398 -3.700 -4.592 1.00 0.00 O ATOM 944 CB PRO A 154 -6.034 -4.848 -1.239 1.00 0.00 C ATOM 945 CG PRO A 154 -5.355 -3.585 -0.838 1.00 0.00 C ATOM 946 CD PRO A 154 -4.081 -3.522 -1.639 1.00 0.00 C ATOM 0 HA PRO A 154 -5.660 -6.051 -3.061 1.00 0.00 H new ATOM 0 HB2 PRO A 154 -7.113 -4.782 -1.096 1.00 0.00 H new ATOM 0 HB3 PRO A 154 -5.684 -5.693 -0.646 1.00 0.00 H new ATOM 0 HG2 PRO A 154 -5.987 -2.721 -1.043 1.00 0.00 H new ATOM 0 HG3 PRO A 154 -5.144 -3.579 0.231 1.00 0.00 H new ATOM 0 HD2 PRO A 154 -3.852 -2.502 -1.948 1.00 0.00 H new ATOM 0 HD3 PRO A 154 -3.228 -3.879 -1.063 1.00 0.00 H new ATOM 954 N HIS A 155 -7.991 -4.478 -3.195 1.00 0.00 N ATOM 955 CA HIS A 155 -9.102 -3.882 -3.931 1.00 0.00 C ATOM 956 C HIS A 155 -10.291 -3.624 -3.008 1.00 0.00 C ATOM 957 O HIS A 155 -10.319 -4.094 -1.870 1.00 0.00 O ATOM 958 CB HIS A 155 -9.526 -4.794 -5.084 1.00 0.00 C ATOM 959 CG HIS A 155 -10.027 -6.133 -4.637 1.00 0.00 C ATOM 960 ND1 HIS A 155 -9.262 -7.021 -3.909 1.00 0.00 N ATOM 961 CD2 HIS A 155 -11.228 -6.735 -4.816 1.00 0.00 C ATOM 962 CE1 HIS A 155 -9.969 -8.109 -3.662 1.00 0.00 C ATOM 963 NE2 HIS A 155 -11.164 -7.960 -4.200 1.00 0.00 N ATOM 0 H HIS A 155 -8.271 -5.004 -2.367 1.00 0.00 H new ATOM 0 HA HIS A 155 -8.765 -2.928 -4.336 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -10.306 -4.298 -5.661 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -8.678 -4.938 -5.753 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -12.077 -6.327 -5.345 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -9.627 -8.974 -3.113 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -11.919 -8.645 -4.164 1.00 0.00 H new ATOM 972 N CYS A 156 -11.280 -2.887 -3.511 1.00 0.00 N ATOM 973 CA CYS A 156 -12.480 -2.581 -2.736 1.00 0.00 C ATOM 974 C CYS A 156 -13.614 -3.525 -3.117 1.00 0.00 C ATOM 975 O CYS A 156 -13.834 -3.798 -4.298 1.00 0.00 O ATOM 976 CB CYS A 156 -12.927 -1.135 -2.970 1.00 0.00 C ATOM 977 SG CYS A 156 -11.778 0.131 -2.341 1.00 0.00 S ATOM 0 H CYS A 156 -11.274 -2.491 -4.451 1.00 0.00 H new ATOM 0 HA CYS A 156 -12.237 -2.711 -1.681 1.00 0.00 H new ATOM 0 HB2 CYS A 156 -13.065 -0.981 -4.040 1.00 0.00 H new ATOM 0 HB3 CYS A 156 -13.899 -0.989 -2.499 1.00 0.00 H new ATOM 982 N GLN A 157 -14.336 -4.021 -2.117 1.00 0.00 N ATOM 983 CA GLN A 157 -15.447 -4.931 -2.367 1.00 0.00 C ATOM 984 C GLN A 157 -16.692 -4.490 -1.605 1.00 0.00 C ATOM 985 O GLN A 157 -16.632 -4.205 -0.408 1.00 0.00 O ATOM 986 CB GLN A 157 -15.066 -6.359 -1.972 1.00 0.00 C ATOM 987 CG GLN A 157 -16.142 -7.385 -2.290 1.00 0.00 C ATOM 988 CD GLN A 157 -15.724 -8.798 -1.931 1.00 0.00 C ATOM 989 OE1 GLN A 157 -15.446 -9.102 -0.771 1.00 0.00 O ATOM 990 NE2 GLN A 157 -15.678 -9.673 -2.930 1.00 0.00 N ATOM 0 H GLN A 157 -14.173 -3.810 -1.133 1.00 0.00 H new ATOM 0 HA GLN A 157 -15.670 -4.908 -3.434 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -14.147 -6.637 -2.488 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -14.853 -6.387 -0.903 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -17.053 -7.131 -1.748 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -16.380 -7.339 -3.353 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -15.917 -9.379 -3.877 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -15.404 -10.639 -2.750 1.00 0.00 H new ATOM 999 N VAL A 158 -17.819 -4.431 -2.310 1.00 0.00 N ATOM 1000 CA VAL A 158 -19.080 -4.020 -1.706 1.00 0.00 C ATOM 1001 C VAL A 158 -19.518 -4.996 -0.617 1.00 0.00 C ATOM 1002 O VAL A 158 -19.514 -6.211 -0.818 1.00 0.00 O ATOM 1003 CB VAL A 158 -20.196 -3.904 -2.765 1.00 0.00 C ATOM 1004 CG1 VAL A 158 -20.398 -5.232 -3.480 1.00 0.00 C ATOM 1005 CG2 VAL A 158 -21.494 -3.428 -2.129 1.00 0.00 C ATOM 0 H VAL A 158 -17.883 -4.663 -3.301 1.00 0.00 H new ATOM 0 HA VAL A 158 -18.912 -3.041 -1.258 1.00 0.00 H new ATOM 0 HB VAL A 158 -19.890 -3.164 -3.504 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -21.189 -5.129 -4.223 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -19.472 -5.523 -3.975 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -20.678 -5.996 -2.755 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -22.268 -3.353 -2.893 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -21.807 -4.139 -1.365 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -21.339 -2.450 -1.673 1.00 0.00 H new ATOM 1015 N ASN A 159 -19.896 -4.454 0.537 1.00 0.00 N ATOM 1016 CA ASN A 159 -20.340 -5.275 1.658 1.00 0.00 C ATOM 1017 C ASN A 159 -21.655 -5.976 1.332 1.00 0.00 C ATOM 1018 O ASN A 159 -22.327 -5.554 0.368 1.00 0.00 O ATOM 1019 CB ASN A 159 -20.501 -4.418 2.916 1.00 0.00 C ATOM 1020 CG ASN A 159 -21.474 -3.272 2.719 1.00 0.00 C ATOM 1021 OD1 ASN A 159 -22.648 -3.483 2.418 1.00 0.00 O ATOM 1022 ND2 ASN A 159 -20.988 -2.048 2.889 1.00 0.00 N ATOM 1023 OXT ASN A 159 -22.001 -6.943 2.043 1.00 0.00 O ATOM 0 H ASN A 159 -19.904 -3.451 0.720 1.00 0.00 H new ATOM 0 HA ASN A 159 -19.580 -6.035 1.842 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -20.846 -5.046 3.737 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -19.529 -4.019 3.206 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -21.595 -1.237 2.770 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -20.007 -1.919 3.139 1.00 0.00 H new