USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=16 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 Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 130:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 150:sc= -3.38! (180deg=-6.1!) USER MOD Single : A 114 THR OG1 : rot -23:sc= 0.408 USER MOD Single : A 135 HIS :FLIP no HD1:sc= -0.173 F(o=-2.8,f=-0.17) USER MOD Single : A 139 SER OG : rot 153:sc= -0.262! USER MOD Single : A 140 SER OG : rot 180:sc= -0.0214 USER MOD Single : A 142 SER OG : rot 123:sc= 0.723 USER MOD Single : A 145 SER OG : rot -49:sc= 1.02 USER MOD Single : A 146 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) 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 USER MOD Single : A 151 THR OG1 : rot -133:sc= -1.47! USER MOD Single : A 153 LYS NZ :NH3+ -112:sc= 0.168 (180deg=-0.111) USER MOD Single : A 155 HIS : no HD1:sc= -0.277 K(o=-0.28,f=-0.88) USER MOD Single : A 157 GLN : amide:sc= -0.612 K(o=-0.61,f=-6.8!) USER MOD Single : A 159 ASN : amide:sc= -2.34! C(o=-2.3!,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 103 N ILE A 98 13.043 1.620 -5.042 1.00 0.00 N ATOM 104 CA ILE A 98 11.689 1.911 -4.589 1.00 0.00 C ATOM 105 C ILE A 98 10.642 1.073 -5.314 1.00 0.00 C ATOM 106 O ILE A 98 10.578 1.060 -6.543 1.00 0.00 O ATOM 107 CB ILE A 98 11.343 3.404 -4.771 1.00 0.00 C ATOM 108 CG1 ILE A 98 12.264 4.265 -3.911 1.00 0.00 C ATOM 109 CG2 ILE A 98 9.884 3.661 -4.417 1.00 0.00 C ATOM 110 CD1 ILE A 98 12.099 5.751 -4.140 1.00 0.00 C ATOM 0 HA ILE A 98 11.668 1.656 -3.530 1.00 0.00 H new ATOM 0 HB ILE A 98 11.492 3.672 -5.817 1.00 0.00 H new ATOM 0 HG12 ILE A 98 12.075 4.045 -2.860 1.00 0.00 H new ATOM 0 HG13 ILE A 98 13.299 3.988 -4.113 1.00 0.00 H new ATOM 0 HG21 ILE A 98 9.658 4.719 -4.551 1.00 0.00 H new ATOM 0 HG22 ILE A 98 9.242 3.067 -5.067 1.00 0.00 H new ATOM 0 HG23 ILE A 98 9.707 3.381 -3.379 1.00 0.00 H new ATOM 0 HD11 ILE A 98 12.786 6.297 -3.494 1.00 0.00 H new ATOM 0 HD12 ILE A 98 12.317 5.985 -5.182 1.00 0.00 H new ATOM 0 HD13 ILE A 98 11.075 6.043 -3.909 1.00 0.00 H new ATOM 122 N CYS A 99 9.805 0.398 -4.532 1.00 0.00 N ATOM 123 CA CYS A 99 8.732 -0.420 -5.081 1.00 0.00 C ATOM 124 C CYS A 99 7.763 0.458 -5.856 1.00 0.00 C ATOM 125 O CYS A 99 7.600 1.633 -5.529 1.00 0.00 O ATOM 126 CB CYS A 99 7.973 -1.131 -3.958 1.00 0.00 C ATOM 127 SG CYS A 99 9.000 -2.197 -2.900 1.00 0.00 S ATOM 0 H CYS A 99 9.851 0.402 -3.513 1.00 0.00 H new ATOM 0 HA CYS A 99 9.170 -1.165 -5.745 1.00 0.00 H new ATOM 0 HB2 CYS A 99 7.490 -0.380 -3.333 1.00 0.00 H new ATOM 0 HB3 CYS A 99 7.181 -1.736 -4.400 1.00 0.00 H new ATOM 132 N SER A 100 7.118 -0.107 -6.875 1.00 0.00 N ATOM 133 CA SER A 100 6.159 0.649 -7.673 1.00 0.00 C ATOM 134 C SER A 100 5.314 1.538 -6.767 1.00 0.00 C ATOM 135 O SER A 100 4.435 1.056 -6.051 1.00 0.00 O ATOM 136 CB SER A 100 5.257 -0.300 -8.466 1.00 0.00 C ATOM 137 OG SER A 100 6.015 -1.104 -9.353 1.00 0.00 O ATOM 0 H SER A 100 7.241 -1.077 -7.165 1.00 0.00 H new ATOM 0 HA SER A 100 6.708 1.276 -8.376 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.701 -0.937 -7.778 1.00 0.00 H new ATOM 0 HB3 SER A 100 4.524 0.277 -9.030 1.00 0.00 H new ATOM 0 HG SER A 100 5.415 -1.702 -9.846 1.00 0.00 H new ATOM 143 N LYS A 101 5.603 2.836 -6.784 1.00 0.00 N ATOM 144 CA LYS A 101 4.888 3.792 -5.943 1.00 0.00 C ATOM 145 C LYS A 101 3.439 3.972 -6.397 1.00 0.00 C ATOM 146 O LYS A 101 2.766 4.917 -5.984 1.00 0.00 O ATOM 147 CB LYS A 101 5.611 5.145 -5.924 1.00 0.00 C ATOM 148 CG LYS A 101 5.566 5.903 -7.247 1.00 0.00 C ATOM 149 CD LYS A 101 6.317 5.178 -8.355 1.00 0.00 C ATOM 150 CE LYS A 101 7.790 5.006 -8.015 1.00 0.00 C ATOM 151 NZ LYS A 101 8.524 4.272 -9.084 1.00 0.00 N ATOM 0 H LYS A 101 6.327 3.250 -7.371 1.00 0.00 H new ATOM 0 HA LYS A 101 4.872 3.386 -4.931 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.169 5.768 -5.147 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.653 4.982 -5.648 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.528 6.044 -7.547 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.995 6.895 -7.109 1.00 0.00 H new ATOM 0 HD2 LYS A 101 5.865 4.200 -8.522 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.221 5.737 -9.286 1.00 0.00 H new ATOM 0 HE2 LYS A 101 8.246 5.985 -7.868 1.00 0.00 H new ATOM 0 HE3 LYS A 101 7.885 4.466 -7.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 9.524 4.175 -8.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 8.106 3.328 -9.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 8.455 4.800 -9.977 1.00 0.00 H new ATOM 165 N SER A 102 2.958 3.053 -7.229 1.00 0.00 N ATOM 166 CA SER A 102 1.584 3.105 -7.713 1.00 0.00 C ATOM 167 C SER A 102 0.617 2.816 -6.571 1.00 0.00 C ATOM 168 O SER A 102 -0.473 3.385 -6.502 1.00 0.00 O ATOM 169 CB SER A 102 1.377 2.096 -8.845 1.00 0.00 C ATOM 170 OG SER A 102 0.046 2.140 -9.331 1.00 0.00 O ATOM 0 H SER A 102 3.500 2.264 -7.581 1.00 0.00 H new ATOM 0 HA SER A 102 1.389 4.105 -8.099 1.00 0.00 H new ATOM 0 HB2 SER A 102 2.071 2.309 -9.658 1.00 0.00 H new ATOM 0 HB3 SER A 102 1.604 1.092 -8.487 1.00 0.00 H new ATOM 0 HG SER A 102 -0.060 1.487 -10.054 1.00 0.00 H new ATOM 176 N TYR A 103 1.037 1.924 -5.678 1.00 0.00 N ATOM 177 CA TYR A 103 0.233 1.539 -4.523 1.00 0.00 C ATOM 178 C TYR A 103 -0.242 2.764 -3.747 1.00 0.00 C ATOM 179 O TYR A 103 -1.347 2.775 -3.204 1.00 0.00 O ATOM 180 CB TYR A 103 1.044 0.620 -3.602 1.00 0.00 C ATOM 181 CG TYR A 103 1.273 -0.771 -4.157 1.00 0.00 C ATOM 182 CD1 TYR A 103 1.637 -0.968 -5.484 1.00 0.00 C ATOM 183 CD2 TYR A 103 1.123 -1.889 -3.346 1.00 0.00 C ATOM 184 CE1 TYR A 103 1.844 -2.238 -5.986 1.00 0.00 C ATOM 185 CE2 TYR A 103 1.328 -3.163 -3.840 1.00 0.00 C ATOM 186 CZ TYR A 103 1.688 -3.332 -5.161 1.00 0.00 C ATOM 187 OH TYR A 103 1.893 -4.599 -5.658 1.00 0.00 O ATOM 0 H TYR A 103 1.939 1.451 -5.734 1.00 0.00 H new ATOM 0 HA TYR A 103 -0.645 1.005 -4.886 1.00 0.00 H new ATOM 0 HB2 TYR A 103 2.010 1.084 -3.404 1.00 0.00 H new ATOM 0 HB3 TYR A 103 0.529 0.537 -2.645 1.00 0.00 H new ATOM 0 HD1 TYR A 103 1.760 -0.114 -6.133 1.00 0.00 H new ATOM 0 HD2 TYR A 103 0.841 -1.760 -2.311 1.00 0.00 H new ATOM 0 HE1 TYR A 103 2.127 -2.374 -7.020 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.207 -4.021 -3.196 1.00 0.00 H new ATOM 0 HH TYR A 103 2.497 -5.090 -5.063 1.00 0.00 H new ATOM 197 N LEU A 104 0.601 3.790 -3.697 1.00 0.00 N ATOM 198 CA LEU A 104 0.273 5.021 -2.986 1.00 0.00 C ATOM 199 C LEU A 104 -1.065 5.588 -3.452 1.00 0.00 C ATOM 200 O LEU A 104 -1.886 6.011 -2.640 1.00 0.00 O ATOM 201 CB LEU A 104 1.379 6.059 -3.190 1.00 0.00 C ATOM 202 CG LEU A 104 2.763 5.637 -2.689 1.00 0.00 C ATOM 203 CD1 LEU A 104 3.787 6.724 -2.981 1.00 0.00 C ATOM 204 CD2 LEU A 104 2.721 5.327 -1.201 1.00 0.00 C ATOM 0 H LEU A 104 1.519 3.793 -4.142 1.00 0.00 H new ATOM 0 HA LEU A 104 0.192 4.785 -1.925 1.00 0.00 H new ATOM 0 HB2 LEU A 104 1.449 6.289 -4.253 1.00 0.00 H new ATOM 0 HB3 LEU A 104 1.091 6.980 -2.683 1.00 0.00 H new ATOM 0 HG LEU A 104 3.061 4.732 -3.218 1.00 0.00 H new ATOM 0 HD11 LEU A 104 4.766 6.409 -2.619 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.837 6.898 -4.056 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.493 7.645 -2.478 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.714 5.029 -0.863 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.403 6.214 -0.653 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.017 4.515 -1.018 1.00 0.00 H new ATOM 216 N THR A 105 -1.276 5.593 -4.765 1.00 0.00 N ATOM 217 CA THR A 105 -2.515 6.108 -5.334 1.00 0.00 C ATOM 218 C THR A 105 -3.537 4.990 -5.517 1.00 0.00 C ATOM 219 O THR A 105 -3.236 3.953 -6.109 1.00 0.00 O ATOM 220 CB THR A 105 -2.266 6.792 -6.693 1.00 0.00 C ATOM 221 OG1 THR A 105 -1.314 7.851 -6.540 1.00 0.00 O ATOM 222 CG2 THR A 105 -3.561 7.350 -7.267 1.00 0.00 C ATOM 0 H THR A 105 -0.606 5.247 -5.452 1.00 0.00 H new ATOM 0 HA THR A 105 -2.907 6.845 -4.633 1.00 0.00 H new ATOM 0 HB THR A 105 -1.874 6.045 -7.383 1.00 0.00 H new ATOM 0 HG1 THR A 105 -1.159 8.280 -7.408 1.00 0.00 H new ATOM 0 HG21 THR A 105 -3.358 7.827 -8.226 1.00 0.00 H new ATOM 0 HG22 THR A 105 -4.275 6.539 -7.409 1.00 0.00 H new ATOM 0 HG23 THR A 105 -3.978 8.084 -6.577 1.00 0.00 H new ATOM 230 N LEU A 106 -4.745 5.208 -5.007 1.00 0.00 N ATOM 231 CA LEU A 106 -5.811 4.217 -5.113 1.00 0.00 C ATOM 232 C LEU A 106 -7.174 4.882 -5.271 1.00 0.00 C ATOM 233 O LEU A 106 -7.515 5.805 -4.530 1.00 0.00 O ATOM 234 CB LEU A 106 -5.820 3.310 -3.879 1.00 0.00 C ATOM 235 CG LEU A 106 -6.995 2.330 -3.800 1.00 0.00 C ATOM 236 CD1 LEU A 106 -7.072 1.475 -5.057 1.00 0.00 C ATOM 237 CD2 LEU A 106 -6.874 1.454 -2.563 1.00 0.00 C ATOM 0 H LEU A 106 -5.010 6.062 -4.516 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.617 3.617 -6.002 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.891 2.741 -3.859 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.829 3.937 -2.987 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.917 2.907 -3.726 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.914 0.787 -4.978 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -7.209 2.118 -5.926 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.148 0.907 -5.168 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.717 0.764 -2.522 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -5.943 0.888 -2.607 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -6.875 2.081 -1.671 1.00 0.00 H new ATOM 249 N GLU A 107 -7.955 4.396 -6.231 1.00 0.00 N ATOM 250 CA GLU A 107 -9.288 4.930 -6.475 1.00 0.00 C ATOM 251 C GLU A 107 -10.224 4.572 -5.328 1.00 0.00 C ATOM 252 O GLU A 107 -10.269 3.421 -4.891 1.00 0.00 O ATOM 253 CB GLU A 107 -9.849 4.387 -7.791 1.00 0.00 C ATOM 254 CG GLU A 107 -9.074 4.839 -9.016 1.00 0.00 C ATOM 255 CD GLU A 107 -9.603 4.227 -10.299 1.00 0.00 C ATOM 256 OE1 GLU A 107 -10.791 4.448 -10.616 1.00 0.00 O ATOM 257 OE2 GLU A 107 -8.828 3.530 -10.986 1.00 0.00 O ATOM 0 H GLU A 107 -7.686 3.633 -6.852 1.00 0.00 H new ATOM 0 HA GLU A 107 -9.213 6.015 -6.544 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -9.850 3.298 -7.754 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -10.887 4.703 -7.891 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -9.120 5.926 -9.090 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.024 4.572 -8.896 1.00 0.00 H new ATOM 264 N ASN A 108 -10.972 5.560 -4.847 1.00 0.00 N ATOM 265 CA ASN A 108 -11.909 5.341 -3.751 1.00 0.00 C ATOM 266 C ASN A 108 -11.188 4.761 -2.538 1.00 0.00 C ATOM 267 O ASN A 108 -11.674 3.826 -1.901 1.00 0.00 O ATOM 268 CB ASN A 108 -13.028 4.399 -4.201 1.00 0.00 C ATOM 269 CG ASN A 108 -13.710 4.884 -5.464 1.00 0.00 C ATOM 270 OD1 ASN A 108 -14.336 5.943 -5.478 1.00 0.00 O ATOM 271 ND2 ASN A 108 -13.583 4.111 -6.537 1.00 0.00 N ATOM 0 H ASN A 108 -10.948 6.517 -5.198 1.00 0.00 H new ATOM 0 HA ASN A 108 -12.344 6.299 -3.467 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -12.617 3.404 -4.371 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -13.766 4.307 -3.404 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -14.014 4.388 -7.419 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -13.054 3.241 -6.479 1.00 0.00 H new ATOM 278 N GLY A 109 -10.023 5.322 -2.229 1.00 0.00 N ATOM 279 CA GLY A 109 -9.245 4.848 -1.100 1.00 0.00 C ATOM 280 C GLY A 109 -7.990 5.670 -0.873 1.00 0.00 C ATOM 281 O GLY A 109 -7.563 6.420 -1.751 1.00 0.00 O ATOM 0 H GLY A 109 -9.604 6.098 -2.742 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -9.861 4.876 -0.201 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.968 3.807 -1.265 1.00 0.00 H new ATOM 285 N LYS A 110 -7.403 5.528 0.309 1.00 0.00 N ATOM 286 CA LYS A 110 -6.190 6.259 0.660 1.00 0.00 C ATOM 287 C LYS A 110 -5.217 5.358 1.413 1.00 0.00 C ATOM 288 O LYS A 110 -5.611 4.624 2.320 1.00 0.00 O ATOM 289 CB LYS A 110 -6.538 7.484 1.509 1.00 0.00 C ATOM 290 CG LYS A 110 -7.274 7.144 2.796 1.00 0.00 C ATOM 291 CD LYS A 110 -7.624 8.389 3.602 1.00 0.00 C ATOM 292 CE LYS A 110 -6.388 9.070 4.173 1.00 0.00 C ATOM 293 NZ LYS A 110 -5.525 9.661 3.112 1.00 0.00 N ATOM 0 H LYS A 110 -7.748 4.911 1.044 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.711 6.591 -0.261 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.620 8.017 1.755 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -7.152 8.163 0.918 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -8.187 6.598 2.558 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -6.656 6.482 3.402 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -8.163 9.092 2.967 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -8.295 8.116 4.416 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -6.695 9.853 4.866 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -5.810 8.346 4.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -5.029 10.492 3.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -4.829 8.955 2.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -6.115 9.948 2.305 1.00 0.00 H new ATOM 307 N VAL A 111 -3.946 5.408 1.025 1.00 0.00 N ATOM 308 CA VAL A 111 -2.923 4.587 1.659 1.00 0.00 C ATOM 309 C VAL A 111 -1.902 5.439 2.409 1.00 0.00 C ATOM 310 O VAL A 111 -1.310 6.357 1.842 1.00 0.00 O ATOM 311 CB VAL A 111 -2.183 3.726 0.615 1.00 0.00 C ATOM 312 CG1 VAL A 111 -1.126 2.860 1.282 1.00 0.00 C ATOM 313 CG2 VAL A 111 -3.169 2.869 -0.165 1.00 0.00 C ATOM 0 H VAL A 111 -3.602 6.008 0.275 1.00 0.00 H new ATOM 0 HA VAL A 111 -3.435 3.940 2.371 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.680 4.393 -0.085 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -0.617 2.261 0.527 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.401 3.497 1.790 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -1.601 2.200 2.008 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -2.629 2.268 -0.897 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -3.702 2.212 0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -3.883 3.512 -0.679 1.00 0.00 H new ATOM 323 N PHE A 112 -1.691 5.117 3.683 1.00 0.00 N ATOM 324 CA PHE A 112 -0.730 5.842 4.509 1.00 0.00 C ATOM 325 C PHE A 112 0.695 5.475 4.105 1.00 0.00 C ATOM 326 O PHE A 112 1.056 4.300 4.082 1.00 0.00 O ATOM 327 CB PHE A 112 -0.954 5.529 5.992 1.00 0.00 C ATOM 328 CG PHE A 112 -2.246 6.070 6.543 1.00 0.00 C ATOM 329 CD1 PHE A 112 -3.449 5.840 5.894 1.00 0.00 C ATOM 330 CD2 PHE A 112 -2.253 6.810 7.715 1.00 0.00 C ATOM 331 CE1 PHE A 112 -4.634 6.338 6.402 1.00 0.00 C ATOM 332 CE2 PHE A 112 -3.435 7.311 8.228 1.00 0.00 C ATOM 333 CZ PHE A 112 -4.627 7.074 7.570 1.00 0.00 C ATOM 0 H PHE A 112 -2.173 4.359 4.166 1.00 0.00 H new ATOM 0 HA PHE A 112 -0.877 6.911 4.353 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -0.936 4.448 6.132 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -0.125 5.939 6.569 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -3.461 5.265 4.980 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -1.324 6.997 8.233 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -5.564 6.152 5.886 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -3.427 7.887 9.142 1.00 0.00 H new ATOM 0 HZ PHE A 112 -5.552 7.464 7.969 1.00 0.00 H new ATOM 343 N LEU A 113 1.494 6.485 3.777 1.00 0.00 N ATOM 344 CA LEU A 113 2.874 6.261 3.360 1.00 0.00 C ATOM 345 C LEU A 113 3.838 6.264 4.542 1.00 0.00 C ATOM 346 O LEU A 113 3.685 7.036 5.488 1.00 0.00 O ATOM 347 CB LEU A 113 3.303 7.321 2.340 1.00 0.00 C ATOM 348 CG LEU A 113 4.762 7.226 1.875 1.00 0.00 C ATOM 349 CD1 LEU A 113 5.052 5.855 1.282 1.00 0.00 C ATOM 350 CD2 LEU A 113 5.070 8.323 0.865 1.00 0.00 C ATOM 0 H LEU A 113 1.211 7.465 3.792 1.00 0.00 H new ATOM 0 HA LEU A 113 2.914 5.274 2.900 1.00 0.00 H new ATOM 0 HB2 LEU A 113 2.654 7.246 1.467 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.140 8.307 2.774 1.00 0.00 H new ATOM 0 HG LEU A 113 5.408 7.363 2.742 1.00 0.00 H new ATOM 0 HD11 LEU A 113 6.092 5.811 0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 113 4.873 5.088 2.035 1.00 0.00 H new ATOM 0 HD13 LEU A 113 4.399 5.683 0.426 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.109 8.242 0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 113 4.415 8.216 0.001 1.00 0.00 H new ATOM 0 HD23 LEU A 113 4.907 9.298 1.325 1.00 0.00 H new ATOM 362 N THR A 114 4.842 5.398 4.459 1.00 0.00 N ATOM 363 CA THR A 114 5.865 5.279 5.490 1.00 0.00 C ATOM 364 C THR A 114 7.078 4.546 4.919 1.00 0.00 C ATOM 365 O THR A 114 7.549 3.553 5.474 1.00 0.00 O ATOM 366 CB THR A 114 5.346 4.533 6.738 1.00 0.00 C ATOM 367 OG1 THR A 114 4.116 5.116 7.183 1.00 0.00 O ATOM 368 CG2 THR A 114 6.365 4.589 7.868 1.00 0.00 C ATOM 0 H THR A 114 4.969 4.759 3.674 1.00 0.00 H new ATOM 0 HA THR A 114 6.144 6.286 5.802 1.00 0.00 H new ATOM 0 HB THR A 114 5.181 3.491 6.463 1.00 0.00 H new ATOM 0 HG1 THR A 114 4.056 6.039 6.860 1.00 0.00 H new ATOM 0 HG21 THR A 114 5.976 4.056 8.736 1.00 0.00 H new ATOM 0 HG22 THR A 114 7.295 4.122 7.543 1.00 0.00 H new ATOM 0 HG23 THR A 114 6.555 5.628 8.135 1.00 0.00 H new ATOM 376 N GLY A 115 7.562 5.045 3.785 1.00 0.00 N ATOM 377 CA GLY A 115 8.702 4.446 3.122 1.00 0.00 C ATOM 378 C GLY A 115 8.802 4.883 1.675 1.00 0.00 C ATOM 379 O GLY A 115 8.053 4.405 0.823 1.00 0.00 O ATOM 0 H GLY A 115 7.178 5.863 3.311 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.616 4.721 3.649 1.00 0.00 H new ATOM 0 HA3 GLY A 115 8.621 3.360 3.169 1.00 0.00 H new ATOM 383 N GLY A 116 9.724 5.798 1.398 1.00 0.00 N ATOM 384 CA GLY A 116 9.895 6.286 0.041 1.00 0.00 C ATOM 385 C GLY A 116 11.154 7.115 -0.140 1.00 0.00 C ATOM 386 O GLY A 116 11.110 8.197 -0.726 1.00 0.00 O ATOM 0 H GLY A 116 10.355 6.210 2.086 1.00 0.00 H new ATOM 0 HA2 GLY A 116 9.924 5.438 -0.643 1.00 0.00 H new ATOM 0 HA3 GLY A 116 9.029 6.887 -0.234 1.00 0.00 H new ATOM 390 N ASP A 117 12.281 6.604 0.355 1.00 0.00 N ATOM 391 CA ASP A 117 13.556 7.304 0.234 1.00 0.00 C ATOM 392 C ASP A 117 14.706 6.449 0.760 1.00 0.00 C ATOM 393 O ASP A 117 15.654 6.963 1.355 1.00 0.00 O ATOM 394 CB ASP A 117 13.502 8.639 0.984 1.00 0.00 C ATOM 395 CG ASP A 117 13.192 8.471 2.461 1.00 0.00 C ATOM 396 OD1 ASP A 117 14.016 7.868 3.178 1.00 0.00 O ATOM 397 OD2 ASP A 117 12.122 8.944 2.897 1.00 0.00 O ATOM 0 H ASP A 117 12.335 5.710 0.842 1.00 0.00 H new ATOM 0 HA ASP A 117 13.735 7.498 -0.823 1.00 0.00 H new ATOM 0 HB2 ASP A 117 14.458 9.152 0.874 1.00 0.00 H new ATOM 0 HB3 ASP A 117 12.744 9.276 0.528 1.00 0.00 H new ATOM 402 N LEU A 118 14.619 5.141 0.529 1.00 0.00 N ATOM 403 CA LEU A 118 15.649 4.208 0.974 1.00 0.00 C ATOM 404 C LEU A 118 15.994 3.221 -0.136 1.00 0.00 C ATOM 405 O LEU A 118 15.154 2.914 -0.980 1.00 0.00 O ATOM 406 CB LEU A 118 15.189 3.426 2.213 1.00 0.00 C ATOM 407 CG LEU A 118 14.825 4.258 3.451 1.00 0.00 C ATOM 408 CD1 LEU A 118 15.918 5.267 3.771 1.00 0.00 C ATOM 409 CD2 LEU A 118 13.480 4.946 3.268 1.00 0.00 C ATOM 0 H LEU A 118 13.842 4.703 0.034 1.00 0.00 H new ATOM 0 HA LEU A 118 16.532 4.794 1.230 1.00 0.00 H new ATOM 0 HB2 LEU A 118 14.321 2.828 1.936 1.00 0.00 H new ATOM 0 HB3 LEU A 118 15.980 2.730 2.490 1.00 0.00 H new ATOM 0 HG LEU A 118 14.740 3.579 4.299 1.00 0.00 H new ATOM 0 HD11 LEU A 118 15.635 5.843 4.652 1.00 0.00 H new ATOM 0 HD12 LEU A 118 16.853 4.741 3.966 1.00 0.00 H new ATOM 0 HD13 LEU A 118 16.051 5.941 2.924 1.00 0.00 H new ATOM 0 HD21 LEU A 118 13.245 5.529 4.159 1.00 0.00 H new ATOM 0 HD22 LEU A 118 13.524 5.607 2.403 1.00 0.00 H new ATOM 0 HD23 LEU A 118 12.706 4.195 3.111 1.00 0.00 H new ATOM 421 N PRO A 119 17.238 2.705 -0.147 1.00 0.00 N ATOM 422 CA PRO A 119 17.678 1.743 -1.159 1.00 0.00 C ATOM 423 C PRO A 119 16.681 0.601 -1.312 1.00 0.00 C ATOM 424 O PRO A 119 16.337 -0.069 -0.338 1.00 0.00 O ATOM 425 CB PRO A 119 19.004 1.223 -0.602 1.00 0.00 C ATOM 426 CG PRO A 119 19.514 2.326 0.260 1.00 0.00 C ATOM 427 CD PRO A 119 18.302 3.015 0.826 1.00 0.00 C ATOM 0 HA PRO A 119 17.769 2.191 -2.149 1.00 0.00 H new ATOM 0 HB2 PRO A 119 18.860 0.307 -0.029 1.00 0.00 H new ATOM 0 HB3 PRO A 119 19.706 0.991 -1.403 1.00 0.00 H new ATOM 0 HG2 PRO A 119 20.147 1.936 1.057 1.00 0.00 H new ATOM 0 HG3 PRO A 119 20.122 3.022 -0.318 1.00 0.00 H new ATOM 0 HD2 PRO A 119 18.057 2.642 1.820 1.00 0.00 H new ATOM 0 HD3 PRO A 119 18.459 4.090 0.919 1.00 0.00 H new ATOM 435 N ALA A 120 16.208 0.396 -2.536 1.00 0.00 N ATOM 436 CA ALA A 120 15.232 -0.650 -2.816 1.00 0.00 C ATOM 437 C ALA A 120 14.033 -0.516 -1.886 1.00 0.00 C ATOM 438 O ALA A 120 13.404 -1.508 -1.512 1.00 0.00 O ATOM 439 CB ALA A 120 15.869 -2.025 -2.675 1.00 0.00 C ATOM 0 H ALA A 120 16.485 0.942 -3.352 1.00 0.00 H new ATOM 0 HA ALA A 120 14.887 -0.538 -3.844 1.00 0.00 H new ATOM 0 HB1 ALA A 120 15.126 -2.794 -2.888 1.00 0.00 H new ATOM 0 HB2 ALA A 120 16.697 -2.116 -3.378 1.00 0.00 H new ATOM 0 HB3 ALA A 120 16.241 -2.151 -1.658 1.00 0.00 H new ATOM 445 N LEU A 121 13.728 0.725 -1.522 1.00 0.00 N ATOM 446 CA LEU A 121 12.611 1.026 -0.637 1.00 0.00 C ATOM 447 C LEU A 121 12.665 0.163 0.623 1.00 0.00 C ATOM 448 O LEU A 121 11.663 -0.419 1.038 1.00 0.00 O ATOM 449 CB LEU A 121 11.286 0.817 -1.372 1.00 0.00 C ATOM 450 CG LEU A 121 10.078 1.491 -0.726 1.00 0.00 C ATOM 451 CD1 LEU A 121 10.333 2.978 -0.539 1.00 0.00 C ATOM 452 CD2 LEU A 121 8.826 1.261 -1.557 1.00 0.00 C ATOM 0 H LEU A 121 14.247 1.547 -1.831 1.00 0.00 H new ATOM 0 HA LEU A 121 12.685 2.070 -0.334 1.00 0.00 H new ATOM 0 HB2 LEU A 121 11.390 1.190 -2.391 1.00 0.00 H new ATOM 0 HB3 LEU A 121 11.092 -0.253 -1.443 1.00 0.00 H new ATOM 0 HG LEU A 121 9.921 1.044 0.256 1.00 0.00 H new ATOM 0 HD11 LEU A 121 9.461 3.441 -0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 121 11.202 3.120 0.103 1.00 0.00 H new ATOM 0 HD13 LEU A 121 10.519 3.440 -1.509 1.00 0.00 H new ATOM 0 HD21 LEU A 121 7.977 1.750 -1.079 1.00 0.00 H new ATOM 0 HD22 LEU A 121 8.970 1.677 -2.554 1.00 0.00 H new ATOM 0 HD23 LEU A 121 8.632 0.191 -1.635 1.00 0.00 H new ATOM 464 N ASP A 122 13.849 0.085 1.226 1.00 0.00 N ATOM 465 CA ASP A 122 14.046 -0.707 2.437 1.00 0.00 C ATOM 466 C ASP A 122 13.274 -0.115 3.613 1.00 0.00 C ATOM 467 O ASP A 122 13.201 1.104 3.773 1.00 0.00 O ATOM 468 CB ASP A 122 15.536 -0.792 2.778 1.00 0.00 C ATOM 469 CG ASP A 122 15.806 -1.653 3.998 1.00 0.00 C ATOM 470 OD1 ASP A 122 15.333 -1.296 5.097 1.00 0.00 O ATOM 471 OD2 ASP A 122 16.490 -2.688 3.853 1.00 0.00 O ATOM 0 H ASP A 122 14.688 0.562 0.895 1.00 0.00 H new ATOM 0 HA ASP A 122 13.664 -1.711 2.249 1.00 0.00 H new ATOM 0 HB2 ASP A 122 16.078 -1.198 1.924 1.00 0.00 H new ATOM 0 HB3 ASP A 122 15.923 0.212 2.953 1.00 0.00 H new ATOM 476 N GLY A 123 12.701 -0.991 4.432 1.00 0.00 N ATOM 477 CA GLY A 123 11.940 -0.549 5.588 1.00 0.00 C ATOM 478 C GLY A 123 10.696 0.225 5.201 1.00 0.00 C ATOM 479 O GLY A 123 10.259 1.116 5.929 1.00 0.00 O ATOM 0 H GLY A 123 12.750 -2.003 4.316 1.00 0.00 H new ATOM 0 HA2 GLY A 123 11.654 -1.416 6.184 1.00 0.00 H new ATOM 0 HA3 GLY A 123 12.572 0.077 6.218 1.00 0.00 H new ATOM 483 N ALA A 124 10.123 -0.125 4.056 1.00 0.00 N ATOM 484 CA ALA A 124 8.917 0.530 3.569 1.00 0.00 C ATOM 485 C ALA A 124 7.673 -0.111 4.161 1.00 0.00 C ATOM 486 O ALA A 124 7.630 -1.321 4.373 1.00 0.00 O ATOM 487 CB ALA A 124 8.855 0.466 2.057 1.00 0.00 C ATOM 0 H ALA A 124 10.476 -0.862 3.446 1.00 0.00 H new ATOM 0 HA ALA A 124 8.953 1.573 3.882 1.00 0.00 H new ATOM 0 HB1 ALA A 124 7.948 0.960 1.709 1.00 0.00 H new ATOM 0 HB2 ALA A 124 9.726 0.968 1.636 1.00 0.00 H new ATOM 0 HB3 ALA A 124 8.847 -0.576 1.737 1.00 0.00 H new ATOM 493 N ARG A 125 6.657 0.701 4.417 1.00 0.00 N ATOM 494 CA ARG A 125 5.413 0.195 4.973 1.00 0.00 C ATOM 495 C ARG A 125 4.275 1.179 4.730 1.00 0.00 C ATOM 496 O ARG A 125 4.380 2.358 5.060 1.00 0.00 O ATOM 497 CB ARG A 125 5.578 -0.070 6.471 1.00 0.00 C ATOM 498 CG ARG A 125 4.401 -0.796 7.098 1.00 0.00 C ATOM 499 CD ARG A 125 4.627 -1.036 8.583 1.00 0.00 C ATOM 500 NE ARG A 125 3.494 -1.706 9.216 1.00 0.00 N ATOM 501 CZ ARG A 125 2.282 -1.169 9.324 1.00 0.00 C ATOM 502 NH1 ARG A 125 2.044 0.045 8.846 1.00 0.00 N ATOM 503 NH2 ARG A 125 1.307 -1.846 9.916 1.00 0.00 N ATOM 0 H ARG A 125 6.670 1.707 4.249 1.00 0.00 H new ATOM 0 HA ARG A 125 5.165 -0.742 4.474 1.00 0.00 H new ATOM 0 HB2 ARG A 125 6.482 -0.658 6.629 1.00 0.00 H new ATOM 0 HB3 ARG A 125 5.722 0.880 6.985 1.00 0.00 H new ATOM 0 HG2 ARG A 125 3.493 -0.211 6.956 1.00 0.00 H new ATOM 0 HG3 ARG A 125 4.248 -1.749 6.592 1.00 0.00 H new ATOM 0 HD2 ARG A 125 5.525 -1.639 8.719 1.00 0.00 H new ATOM 0 HD3 ARG A 125 4.806 -0.082 9.080 1.00 0.00 H new ATOM 0 HE ARG A 125 3.641 -2.640 9.598 1.00 0.00 H new ATOM 0 HH11 ARG A 125 2.792 0.571 8.393 1.00 0.00 H new ATOM 0 HH12 ARG A 125 1.113 0.453 8.931 1.00 0.00 H new ATOM 0 HH21 ARG A 125 1.487 -2.778 10.288 1.00 0.00 H new ATOM 0 HH22 ARG A 125 0.378 -1.434 9.999 1.00 0.00 H new ATOM 517 N VAL A 126 3.190 0.684 4.148 1.00 0.00 N ATOM 518 CA VAL A 126 2.031 1.516 3.859 1.00 0.00 C ATOM 519 C VAL A 126 0.742 0.781 4.203 1.00 0.00 C ATOM 520 O VAL A 126 0.598 -0.411 3.915 1.00 0.00 O ATOM 521 CB VAL A 126 1.991 1.946 2.376 1.00 0.00 C ATOM 522 CG1 VAL A 126 3.250 2.714 2.006 1.00 0.00 C ATOM 523 CG2 VAL A 126 1.806 0.742 1.467 1.00 0.00 C ATOM 0 H VAL A 126 3.089 -0.291 3.867 1.00 0.00 H new ATOM 0 HA VAL A 126 2.119 2.410 4.476 1.00 0.00 H new ATOM 0 HB VAL A 126 1.135 2.607 2.237 1.00 0.00 H new ATOM 0 HG11 VAL A 126 3.202 3.008 0.957 1.00 0.00 H new ATOM 0 HG12 VAL A 126 3.329 3.605 2.629 1.00 0.00 H new ATOM 0 HG13 VAL A 126 4.123 2.081 2.166 1.00 0.00 H new ATOM 0 HG21 VAL A 126 1.781 1.071 0.428 1.00 0.00 H new ATOM 0 HG22 VAL A 126 2.635 0.049 1.608 1.00 0.00 H new ATOM 0 HG23 VAL A 126 0.869 0.242 1.712 1.00 0.00 H new ATOM 533 N GLU A 127 -0.188 1.492 4.831 1.00 0.00 N ATOM 534 CA GLU A 127 -1.462 0.903 5.224 1.00 0.00 C ATOM 535 C GLU A 127 -2.576 1.314 4.267 1.00 0.00 C ATOM 536 O GLU A 127 -2.842 2.501 4.081 1.00 0.00 O ATOM 537 CB GLU A 127 -1.819 1.321 6.652 1.00 0.00 C ATOM 538 CG GLU A 127 -3.099 0.684 7.170 1.00 0.00 C ATOM 539 CD GLU A 127 -3.417 1.089 8.595 1.00 0.00 C ATOM 540 OE1 GLU A 127 -2.591 0.811 9.490 1.00 0.00 O ATOM 541 OE2 GLU A 127 -4.491 1.686 8.817 1.00 0.00 O ATOM 0 H GLU A 127 -0.083 2.476 5.078 1.00 0.00 H new ATOM 0 HA GLU A 127 -1.359 -0.181 5.183 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -0.996 1.056 7.316 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -1.922 2.406 6.689 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -3.929 0.967 6.522 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -3.008 -0.401 7.116 1.00 0.00 H new ATOM 548 N PHE A 128 -3.230 0.323 3.672 1.00 0.00 N ATOM 549 CA PHE A 128 -4.323 0.575 2.740 1.00 0.00 C ATOM 550 C PHE A 128 -5.639 0.791 3.481 1.00 0.00 C ATOM 551 O PHE A 128 -5.854 0.243 4.561 1.00 0.00 O ATOM 552 CB PHE A 128 -4.468 -0.581 1.747 1.00 0.00 C ATOM 553 CG PHE A 128 -3.385 -0.625 0.706 1.00 0.00 C ATOM 554 CD1 PHE A 128 -2.050 -0.706 1.070 1.00 0.00 C ATOM 555 CD2 PHE A 128 -3.708 -0.587 -0.641 1.00 0.00 C ATOM 556 CE1 PHE A 128 -1.058 -0.746 0.108 1.00 0.00 C ATOM 557 CE2 PHE A 128 -2.721 -0.627 -1.606 1.00 0.00 C ATOM 558 CZ PHE A 128 -1.395 -0.707 -1.231 1.00 0.00 C ATOM 0 H PHE A 128 -3.022 -0.665 3.819 1.00 0.00 H new ATOM 0 HA PHE A 128 -4.083 1.484 2.189 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -4.469 -1.522 2.297 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -5.435 -0.501 1.249 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -1.782 -0.738 2.116 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -4.744 -0.525 -0.940 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -0.021 -0.808 0.403 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -2.986 -0.596 -2.652 1.00 0.00 H new ATOM 0 HZ PHE A 128 -0.621 -0.739 -1.984 1.00 0.00 H new ATOM 568 N ARG A 129 -6.516 1.591 2.885 1.00 0.00 N ATOM 569 CA ARG A 129 -7.817 1.882 3.478 1.00 0.00 C ATOM 570 C ARG A 129 -8.809 2.320 2.406 1.00 0.00 C ATOM 571 O ARG A 129 -8.544 3.247 1.643 1.00 0.00 O ATOM 572 CB ARG A 129 -7.686 2.974 4.542 1.00 0.00 C ATOM 573 CG ARG A 129 -9.008 3.378 5.160 1.00 0.00 C ATOM 574 CD ARG A 129 -8.837 4.510 6.159 1.00 0.00 C ATOM 575 NE ARG A 129 -7.984 4.129 7.281 1.00 0.00 N ATOM 576 CZ ARG A 129 -7.672 4.947 8.281 1.00 0.00 C ATOM 577 NH1 ARG A 129 -8.132 6.191 8.294 1.00 0.00 N ATOM 578 NH2 ARG A 129 -6.897 4.521 9.269 1.00 0.00 N ATOM 0 H ARG A 129 -6.350 2.051 1.990 1.00 0.00 H new ATOM 0 HA ARG A 129 -8.188 0.972 3.949 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -7.018 2.625 5.329 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -7.220 3.852 4.095 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -9.698 3.687 4.375 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -9.455 2.518 5.658 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -8.407 5.376 5.655 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -9.815 4.813 6.534 1.00 0.00 H new ATOM 0 HE ARG A 129 -7.606 3.182 7.298 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -8.727 6.523 7.535 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -7.891 6.816 9.063 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -6.540 3.565 9.262 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -6.658 5.149 10.036 1.00 0.00 H new ATOM 592 N CYS A 130 -9.951 1.644 2.357 1.00 0.00 N ATOM 593 CA CYS A 130 -10.984 1.961 1.378 1.00 0.00 C ATOM 594 C CYS A 130 -11.957 3.002 1.920 1.00 0.00 C ATOM 595 O CYS A 130 -12.384 2.929 3.073 1.00 0.00 O ATOM 596 CB CYS A 130 -11.739 0.693 0.977 1.00 0.00 C ATOM 597 SG CYS A 130 -10.691 -0.570 0.186 1.00 0.00 S ATOM 0 H CYS A 130 -10.185 0.874 2.983 1.00 0.00 H new ATOM 0 HA CYS A 130 -10.496 2.380 0.498 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -12.203 0.262 1.864 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -12.545 0.962 0.294 1.00 0.00 H new ATOM 602 N ASP A 131 -12.306 3.967 1.076 1.00 0.00 N ATOM 603 CA ASP A 131 -13.235 5.026 1.456 1.00 0.00 C ATOM 604 C ASP A 131 -14.575 4.443 1.905 1.00 0.00 C ATOM 605 O ASP A 131 -14.903 3.304 1.573 1.00 0.00 O ATOM 606 CB ASP A 131 -13.447 5.987 0.284 1.00 0.00 C ATOM 607 CG ASP A 131 -12.181 6.732 -0.093 1.00 0.00 C ATOM 608 OD1 ASP A 131 -11.146 6.519 0.574 1.00 0.00 O ATOM 609 OD2 ASP A 131 -12.226 7.531 -1.053 1.00 0.00 O ATOM 0 H ASP A 131 -11.958 4.038 0.120 1.00 0.00 H new ATOM 0 HA ASP A 131 -12.803 5.574 2.293 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -13.806 5.428 -0.580 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -14.224 6.706 0.544 1.00 0.00 H new ATOM 614 N PRO A 132 -15.366 5.222 2.672 1.00 0.00 N ATOM 615 CA PRO A 132 -16.672 4.785 3.171 1.00 0.00 C ATOM 616 C PRO A 132 -17.472 4.008 2.128 1.00 0.00 C ATOM 617 O PRO A 132 -17.285 4.198 0.925 1.00 0.00 O ATOM 618 CB PRO A 132 -17.366 6.102 3.504 1.00 0.00 C ATOM 619 CG PRO A 132 -16.258 7.016 3.907 1.00 0.00 C ATOM 620 CD PRO A 132 -15.045 6.594 3.116 1.00 0.00 C ATOM 0 HA PRO A 132 -16.581 4.101 4.015 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -17.910 6.493 2.644 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -18.090 5.977 4.309 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -16.516 8.054 3.697 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -16.067 6.945 4.978 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -14.871 7.257 2.269 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -14.143 6.615 3.728 1.00 0.00 H new ATOM 628 N ASP A 133 -18.352 3.127 2.606 1.00 0.00 N ATOM 629 CA ASP A 133 -19.185 2.296 1.736 1.00 0.00 C ATOM 630 C ASP A 133 -18.387 1.123 1.170 1.00 0.00 C ATOM 631 O ASP A 133 -18.925 0.032 0.983 1.00 0.00 O ATOM 632 CB ASP A 133 -19.793 3.122 0.598 1.00 0.00 C ATOM 633 CG ASP A 133 -20.687 4.236 1.106 1.00 0.00 C ATOM 634 OD1 ASP A 133 -21.682 3.929 1.797 1.00 0.00 O ATOM 635 OD2 ASP A 133 -20.393 5.414 0.814 1.00 0.00 O ATOM 0 H ASP A 133 -18.507 2.970 3.602 1.00 0.00 H new ATOM 0 HA ASP A 133 -19.998 1.899 2.343 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -18.992 3.549 -0.005 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -20.369 2.467 -0.055 1.00 0.00 H new ATOM 640 N PHE A 134 -17.103 1.349 0.907 1.00 0.00 N ATOM 641 CA PHE A 134 -16.239 0.302 0.374 1.00 0.00 C ATOM 642 C PHE A 134 -15.292 -0.206 1.458 1.00 0.00 C ATOM 643 O PHE A 134 -14.612 0.581 2.117 1.00 0.00 O ATOM 644 CB PHE A 134 -15.432 0.823 -0.821 1.00 0.00 C ATOM 645 CG PHE A 134 -16.276 1.311 -1.967 1.00 0.00 C ATOM 646 CD1 PHE A 134 -17.133 2.390 -1.809 1.00 0.00 C ATOM 647 CD2 PHE A 134 -16.204 0.695 -3.207 1.00 0.00 C ATOM 648 CE1 PHE A 134 -17.903 2.842 -2.865 1.00 0.00 C ATOM 649 CE2 PHE A 134 -16.971 1.143 -4.266 1.00 0.00 C ATOM 650 CZ PHE A 134 -17.822 2.218 -4.094 1.00 0.00 C ATOM 0 H PHE A 134 -16.639 2.246 1.054 1.00 0.00 H new ATOM 0 HA PHE A 134 -16.869 -0.522 0.037 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -14.790 1.637 -0.485 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -14.778 0.028 -1.178 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -17.200 2.883 -0.850 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -15.540 -0.145 -3.347 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -18.567 3.683 -2.728 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -16.905 0.654 -5.226 1.00 0.00 H new ATOM 0 HZ PHE A 134 -18.423 2.570 -4.920 1.00 0.00 H new ATOM 660 N HIS A 135 -15.259 -1.522 1.645 1.00 0.00 N ATOM 661 CA HIS A 135 -14.400 -2.125 2.661 1.00 0.00 C ATOM 662 C HIS A 135 -13.191 -2.825 2.042 1.00 0.00 C ATOM 663 O HIS A 135 -13.297 -3.482 1.005 1.00 0.00 O ATOM 664 CB HIS A 135 -15.198 -3.106 3.530 1.00 0.00 C ATOM 665 CG HIS A 135 -15.897 -4.195 2.770 1.00 0.00 C ATOM 666 ND1 HIS A 135 -15.975 -4.453 1.441 1.00 0.00 N flip ATOM 667 CD2 HIS A 135 -16.638 -5.181 3.389 1.00 0.00 C flip ATOM 668 CE1 HIS A 135 -16.750 -5.575 1.288 1.00 0.00 C flip ATOM 669 NE2 HIS A 135 -17.138 -5.994 2.477 1.00 0.00 N flip ATOM 0 H HIS A 135 -15.814 -2.189 1.109 1.00 0.00 H new ATOM 0 HA HIS A 135 -14.026 -1.318 3.291 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -14.521 -3.563 4.252 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -15.940 -2.545 4.099 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -16.786 -5.273 4.455 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -17.002 -6.040 0.346 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -17.725 -6.808 2.661 1.00 0.00 H new ATOM 678 N LEU A 136 -12.041 -2.675 2.695 1.00 0.00 N ATOM 679 CA LEU A 136 -10.801 -3.289 2.230 1.00 0.00 C ATOM 680 C LEU A 136 -10.767 -4.773 2.586 1.00 0.00 C ATOM 681 O LEU A 136 -10.993 -5.149 3.736 1.00 0.00 O ATOM 682 CB LEU A 136 -9.600 -2.567 2.846 1.00 0.00 C ATOM 683 CG LEU A 136 -8.233 -3.187 2.549 1.00 0.00 C ATOM 684 CD1 LEU A 136 -8.016 -3.332 1.051 1.00 0.00 C ATOM 685 CD2 LEU A 136 -7.131 -2.345 3.169 1.00 0.00 C ATOM 0 H LEU A 136 -11.943 -2.131 3.552 1.00 0.00 H new ATOM 0 HA LEU A 136 -10.753 -3.198 1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -9.597 -1.537 2.491 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -9.736 -2.531 3.927 1.00 0.00 H new ATOM 0 HG LEU A 136 -8.204 -4.183 2.990 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -7.037 -3.775 0.866 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -8.790 -3.975 0.632 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -8.065 -2.350 0.580 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -6.163 -2.796 2.951 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -7.165 -1.338 2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -7.274 -2.296 4.248 1.00 0.00 H new ATOM 697 N VAL A 137 -10.494 -5.613 1.591 1.00 0.00 N ATOM 698 CA VAL A 137 -10.445 -7.056 1.802 1.00 0.00 C ATOM 699 C VAL A 137 -9.231 -7.683 1.118 1.00 0.00 C ATOM 700 O VAL A 137 -9.380 -8.487 0.196 1.00 0.00 O ATOM 701 CB VAL A 137 -11.725 -7.738 1.272 1.00 0.00 C ATOM 702 CG1 VAL A 137 -11.761 -9.206 1.672 1.00 0.00 C ATOM 703 CG2 VAL A 137 -12.967 -7.013 1.766 1.00 0.00 C ATOM 0 H VAL A 137 -10.304 -5.320 0.633 1.00 0.00 H new ATOM 0 HA VAL A 137 -10.367 -7.213 2.878 1.00 0.00 H new ATOM 0 HB VAL A 137 -11.712 -7.684 0.183 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -12.672 -9.666 1.288 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -10.893 -9.718 1.256 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -11.744 -9.287 2.759 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -13.857 -7.511 1.380 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -12.987 -7.027 2.856 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -12.949 -5.981 1.417 1.00 0.00 H new ATOM 713 N GLY A 138 -8.027 -7.320 1.557 1.00 0.00 N ATOM 714 CA GLY A 138 -6.838 -7.881 0.942 1.00 0.00 C ATOM 715 C GLY A 138 -5.561 -7.507 1.662 1.00 0.00 C ATOM 716 O GLY A 138 -5.496 -7.557 2.889 1.00 0.00 O ATOM 0 H GLY A 138 -7.856 -6.659 2.315 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -6.928 -8.967 0.916 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -6.777 -7.542 -0.092 1.00 0.00 H new ATOM 720 N SER A 139 -4.544 -7.137 0.888 1.00 0.00 N ATOM 721 CA SER A 139 -3.254 -6.749 1.430 1.00 0.00 C ATOM 722 C SER A 139 -3.341 -5.387 2.107 1.00 0.00 C ATOM 723 O SER A 139 -2.718 -4.419 1.671 1.00 0.00 O ATOM 724 CB SER A 139 -2.218 -6.718 0.313 1.00 0.00 C ATOM 725 OG SER A 139 -2.068 -7.998 -0.276 1.00 0.00 O ATOM 0 H SER A 139 -4.595 -7.099 -0.130 1.00 0.00 H new ATOM 0 HA SER A 139 -2.953 -7.481 2.179 1.00 0.00 H new ATOM 0 HB2 SER A 139 -2.519 -5.997 -0.447 1.00 0.00 H new ATOM 0 HB3 SER A 139 -1.260 -6.382 0.710 1.00 0.00 H new ATOM 0 HG SER A 139 -1.773 -7.898 -1.205 1.00 0.00 H new ATOM 731 N SER A 140 -4.131 -5.324 3.170 1.00 0.00 N ATOM 732 CA SER A 140 -4.330 -4.095 3.918 1.00 0.00 C ATOM 733 C SER A 140 -3.000 -3.506 4.391 1.00 0.00 C ATOM 734 O SER A 140 -2.926 -2.332 4.751 1.00 0.00 O ATOM 735 CB SER A 140 -5.259 -4.361 5.102 1.00 0.00 C ATOM 736 OG SER A 140 -5.514 -3.175 5.833 1.00 0.00 O ATOM 0 H SER A 140 -4.650 -6.122 3.536 1.00 0.00 H new ATOM 0 HA SER A 140 -4.792 -3.360 3.259 1.00 0.00 H new ATOM 0 HB2 SER A 140 -6.200 -4.778 4.742 1.00 0.00 H new ATOM 0 HB3 SER A 140 -4.810 -5.106 5.759 1.00 0.00 H new ATOM 0 HG SER A 140 -6.112 -3.375 6.583 1.00 0.00 H new ATOM 742 N ARG A 141 -1.949 -4.325 4.377 1.00 0.00 N ATOM 743 CA ARG A 141 -0.623 -3.872 4.794 1.00 0.00 C ATOM 744 C ARG A 141 0.462 -4.459 3.892 1.00 0.00 C ATOM 745 O ARG A 141 0.432 -5.644 3.560 1.00 0.00 O ATOM 746 CB ARG A 141 -0.354 -4.250 6.253 1.00 0.00 C ATOM 747 CG ARG A 141 -0.438 -5.743 6.529 1.00 0.00 C ATOM 748 CD ARG A 141 -0.037 -6.065 7.960 1.00 0.00 C ATOM 749 NE ARG A 141 1.355 -5.712 8.228 1.00 0.00 N ATOM 750 CZ ARG A 141 1.941 -5.863 9.413 1.00 0.00 C ATOM 751 NH1 ARG A 141 1.256 -6.345 10.441 1.00 0.00 N ATOM 752 NH2 ARG A 141 3.215 -5.531 9.570 1.00 0.00 N ATOM 0 H ARG A 141 -1.989 -5.301 4.083 1.00 0.00 H new ATOM 0 HA ARG A 141 -0.598 -2.786 4.705 1.00 0.00 H new ATOM 0 HB2 ARG A 141 0.637 -3.894 6.533 1.00 0.00 H new ATOM 0 HB3 ARG A 141 -1.071 -3.732 6.890 1.00 0.00 H new ATOM 0 HG2 ARG A 141 -1.455 -6.092 6.347 1.00 0.00 H new ATOM 0 HG3 ARG A 141 0.212 -6.280 5.838 1.00 0.00 H new ATOM 0 HD2 ARG A 141 -0.687 -5.526 8.649 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -0.185 -7.129 8.148 1.00 0.00 H new ATOM 0 HE ARG A 141 1.909 -5.328 7.463 1.00 0.00 H new ATOM 0 HH11 ARG A 141 0.276 -6.602 10.325 1.00 0.00 H new ATOM 0 HH12 ARG A 141 1.709 -6.459 11.348 1.00 0.00 H new ATOM 0 HH21 ARG A 141 3.746 -5.160 8.782 1.00 0.00 H new ATOM 0 HH22 ARG A 141 3.664 -5.647 10.479 1.00 0.00 H new ATOM 766 N SER A 142 1.416 -3.617 3.497 1.00 0.00 N ATOM 767 CA SER A 142 2.511 -4.048 2.628 1.00 0.00 C ATOM 768 C SER A 142 3.847 -3.504 3.128 1.00 0.00 C ATOM 769 O SER A 142 3.927 -2.371 3.602 1.00 0.00 O ATOM 770 CB SER A 142 2.263 -3.577 1.194 1.00 0.00 C ATOM 771 OG SER A 142 2.165 -2.166 1.130 1.00 0.00 O ATOM 0 H SER A 142 1.453 -2.633 3.764 1.00 0.00 H new ATOM 0 HA SER A 142 2.551 -5.137 2.646 1.00 0.00 H new ATOM 0 HB2 SER A 142 3.074 -3.918 0.551 1.00 0.00 H new ATOM 0 HB3 SER A 142 1.345 -4.026 0.814 1.00 0.00 H new ATOM 0 HG SER A 142 2.831 -1.820 0.500 1.00 0.00 H new ATOM 777 N VAL A 143 4.895 -4.319 3.022 1.00 0.00 N ATOM 778 CA VAL A 143 6.226 -3.917 3.468 1.00 0.00 C ATOM 779 C VAL A 143 7.290 -4.309 2.444 1.00 0.00 C ATOM 780 O VAL A 143 7.388 -5.470 2.049 1.00 0.00 O ATOM 781 CB VAL A 143 6.580 -4.561 4.824 1.00 0.00 C ATOM 782 CG1 VAL A 143 7.985 -4.170 5.257 1.00 0.00 C ATOM 783 CG2 VAL A 143 5.562 -4.171 5.884 1.00 0.00 C ATOM 0 H VAL A 143 4.848 -5.260 2.632 1.00 0.00 H new ATOM 0 HA VAL A 143 6.210 -2.833 3.578 1.00 0.00 H new ATOM 0 HB VAL A 143 6.551 -5.644 4.705 1.00 0.00 H new ATOM 0 HG11 VAL A 143 8.213 -4.636 6.216 1.00 0.00 H new ATOM 0 HG12 VAL A 143 8.703 -4.508 4.510 1.00 0.00 H new ATOM 0 HG13 VAL A 143 8.047 -3.086 5.356 1.00 0.00 H new ATOM 0 HG21 VAL A 143 5.829 -4.635 6.833 1.00 0.00 H new ATOM 0 HG22 VAL A 143 5.554 -3.087 6.000 1.00 0.00 H new ATOM 0 HG23 VAL A 143 4.572 -4.511 5.580 1.00 0.00 H new ATOM 793 N CYS A 144 8.090 -3.333 2.022 1.00 0.00 N ATOM 794 CA CYS A 144 9.149 -3.578 1.047 1.00 0.00 C ATOM 795 C CYS A 144 10.479 -3.887 1.724 1.00 0.00 C ATOM 796 O CYS A 144 10.772 -3.382 2.807 1.00 0.00 O ATOM 797 CB CYS A 144 9.307 -2.381 0.108 1.00 0.00 C ATOM 798 SG CYS A 144 7.989 -2.242 -1.140 1.00 0.00 S ATOM 0 H CYS A 144 8.025 -2.366 2.340 1.00 0.00 H new ATOM 0 HA CYS A 144 8.856 -4.452 0.465 1.00 0.00 H new ATOM 0 HB2 CYS A 144 9.330 -1.467 0.701 1.00 0.00 H new ATOM 0 HB3 CYS A 144 10.268 -2.455 -0.400 1.00 0.00 H new ATOM 803 N SER A 145 11.281 -4.716 1.064 1.00 0.00 N ATOM 804 CA SER A 145 12.590 -5.098 1.579 1.00 0.00 C ATOM 805 C SER A 145 13.440 -5.697 0.462 1.00 0.00 C ATOM 806 O SER A 145 14.342 -6.498 0.711 1.00 0.00 O ATOM 807 CB SER A 145 12.437 -6.103 2.724 1.00 0.00 C ATOM 808 OG SER A 145 13.698 -6.467 3.259 1.00 0.00 O ATOM 0 H SER A 145 11.045 -5.138 0.166 1.00 0.00 H new ATOM 0 HA SER A 145 13.089 -4.207 1.961 1.00 0.00 H new ATOM 0 HB2 SER A 145 11.817 -5.671 3.510 1.00 0.00 H new ATOM 0 HB3 SER A 145 11.921 -6.993 2.364 1.00 0.00 H new ATOM 0 HG SER A 145 14.306 -6.706 2.529 1.00 0.00 H new ATOM 814 N GLN A 146 13.141 -5.286 -0.770 1.00 0.00 N ATOM 815 CA GLN A 146 13.861 -5.756 -1.952 1.00 0.00 C ATOM 816 C GLN A 146 13.226 -5.189 -3.218 1.00 0.00 C ATOM 817 O GLN A 146 13.103 -5.880 -4.230 1.00 0.00 O ATOM 818 CB GLN A 146 13.864 -7.287 -2.011 1.00 0.00 C ATOM 819 CG GLN A 146 12.472 -7.901 -2.029 1.00 0.00 C ATOM 820 CD GLN A 146 12.493 -9.416 -2.135 1.00 0.00 C ATOM 821 OE1 GLN A 146 13.686 -9.998 -2.216 1.00 0.00 O flip ATOM 822 NE2 GLN A 146 11.443 -10.059 -2.148 1.00 0.00 N flip ATOM 0 H GLN A 146 12.396 -4.621 -0.976 1.00 0.00 H new ATOM 0 HA GLN A 146 14.892 -5.408 -1.884 1.00 0.00 H new ATOM 0 HB2 GLN A 146 14.404 -7.606 -2.902 1.00 0.00 H new ATOM 0 HB3 GLN A 146 14.411 -7.674 -1.151 1.00 0.00 H new ATOM 0 HG2 GLN A 146 11.942 -7.613 -1.121 1.00 0.00 H new ATOM 0 HG3 GLN A 146 11.911 -7.491 -2.869 1.00 0.00 H new ATOM 0 HE21 GLN A 146 10.548 -9.575 -2.084 1.00 0.00 H new ATOM 0 HE22 GLN A 146 11.469 -11.076 -2.223 1.00 0.00 H new ATOM 831 N GLY A 147 12.818 -3.925 -3.147 1.00 0.00 N ATOM 832 CA GLY A 147 12.190 -3.276 -4.284 1.00 0.00 C ATOM 833 C GLY A 147 10.886 -3.940 -4.684 1.00 0.00 C ATOM 834 O GLY A 147 10.402 -3.753 -5.801 1.00 0.00 O ATOM 0 H GLY A 147 12.912 -3.337 -2.319 1.00 0.00 H new ATOM 0 HA2 GLY A 147 12.002 -2.230 -4.043 1.00 0.00 H new ATOM 0 HA3 GLY A 147 12.876 -3.290 -5.131 1.00 0.00 H new ATOM 838 N GLN A 148 10.309 -4.707 -3.762 1.00 0.00 N ATOM 839 CA GLN A 148 9.044 -5.395 -4.011 1.00 0.00 C ATOM 840 C GLN A 148 8.174 -5.393 -2.756 1.00 0.00 C ATOM 841 O GLN A 148 8.647 -5.706 -1.664 1.00 0.00 O ATOM 842 CB GLN A 148 9.296 -6.832 -4.471 1.00 0.00 C ATOM 843 CG GLN A 148 10.044 -6.927 -5.792 1.00 0.00 C ATOM 844 CD GLN A 148 10.266 -8.359 -6.248 1.00 0.00 C ATOM 845 OE1 GLN A 148 9.828 -9.322 -5.443 1.00 0.00 O flip ATOM 846 NE2 GLN A 148 10.830 -8.598 -7.316 1.00 0.00 N flip ATOM 0 H GLN A 148 10.698 -4.868 -2.833 1.00 0.00 H new ATOM 0 HA GLN A 148 8.517 -4.861 -4.802 1.00 0.00 H new ATOM 0 HB2 GLN A 148 9.865 -7.356 -3.703 1.00 0.00 H new ATOM 0 HB3 GLN A 148 8.340 -7.347 -4.567 1.00 0.00 H new ATOM 0 HG2 GLN A 148 9.485 -6.390 -6.559 1.00 0.00 H new ATOM 0 HG3 GLN A 148 11.009 -6.429 -5.693 1.00 0.00 H new ATOM 0 HE21 GLN A 148 11.152 -7.830 -7.906 1.00 0.00 H new ATOM 0 HE22 GLN A 148 10.976 -9.564 -7.611 1.00 0.00 H new ATOM 855 N TRP A 149 6.899 -5.044 -2.917 1.00 0.00 N ATOM 856 CA TRP A 149 5.972 -5.011 -1.789 1.00 0.00 C ATOM 857 C TRP A 149 5.766 -6.407 -1.211 1.00 0.00 C ATOM 858 O TRP A 149 5.723 -7.392 -1.949 1.00 0.00 O ATOM 859 CB TRP A 149 4.620 -4.426 -2.208 1.00 0.00 C ATOM 860 CG TRP A 149 4.698 -3.019 -2.719 1.00 0.00 C ATOM 861 CD1 TRP A 149 4.803 -2.624 -4.020 1.00 0.00 C ATOM 862 CD2 TRP A 149 4.692 -1.822 -1.934 1.00 0.00 C ATOM 863 NE1 TRP A 149 4.840 -1.252 -4.094 1.00 0.00 N ATOM 864 CE2 TRP A 149 4.780 -0.738 -2.826 1.00 0.00 C ATOM 865 CE3 TRP A 149 4.614 -1.561 -0.563 1.00 0.00 C ATOM 866 CZ2 TRP A 149 4.794 0.586 -2.393 1.00 0.00 C ATOM 867 CZ3 TRP A 149 4.630 -0.247 -0.133 1.00 0.00 C ATOM 868 CH2 TRP A 149 4.719 0.812 -1.046 1.00 0.00 C ATOM 0 H TRP A 149 6.487 -4.782 -3.812 1.00 0.00 H new ATOM 0 HA TRP A 149 6.412 -4.372 -1.023 1.00 0.00 H new ATOM 0 HB2 TRP A 149 4.185 -5.059 -2.981 1.00 0.00 H new ATOM 0 HB3 TRP A 149 3.943 -4.455 -1.354 1.00 0.00 H new ATOM 0 HD1 TRP A 149 4.850 -3.291 -4.868 1.00 0.00 H new ATOM 0 HE1 TRP A 149 4.902 -0.706 -4.953 1.00 0.00 H new ATOM 0 HE3 TRP A 149 4.543 -2.371 0.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 4.862 1.404 -3.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 4.573 -0.033 0.924 1.00 0.00 H new ATOM 0 HH2 TRP A 149 4.729 1.828 -0.679 1.00 0.00 H new ATOM 879 N SER A 150 5.638 -6.486 0.110 1.00 0.00 N ATOM 880 CA SER A 150 5.433 -7.765 0.783 1.00 0.00 C ATOM 881 C SER A 150 4.193 -8.466 0.242 1.00 0.00 C ATOM 882 O SER A 150 4.230 -9.656 -0.074 1.00 0.00 O ATOM 883 CB SER A 150 5.295 -7.558 2.292 1.00 0.00 C ATOM 884 OG SER A 150 5.084 -8.791 2.959 1.00 0.00 O ATOM 0 H SER A 150 5.672 -5.681 0.735 1.00 0.00 H new ATOM 0 HA SER A 150 6.303 -8.393 0.589 1.00 0.00 H new ATOM 0 HB2 SER A 150 6.194 -7.080 2.680 1.00 0.00 H new ATOM 0 HB3 SER A 150 4.463 -6.884 2.495 1.00 0.00 H new ATOM 0 HG SER A 150 5.001 -8.632 3.922 1.00 0.00 H new ATOM 890 N THR A 151 3.096 -7.722 0.136 1.00 0.00 N ATOM 891 CA THR A 151 1.846 -8.277 -0.369 1.00 0.00 C ATOM 892 C THR A 151 1.280 -7.428 -1.507 1.00 0.00 C ATOM 893 O THR A 151 1.225 -6.202 -1.410 1.00 0.00 O ATOM 894 CB THR A 151 0.795 -8.391 0.750 1.00 0.00 C ATOM 895 OG1 THR A 151 0.584 -7.110 1.354 1.00 0.00 O ATOM 896 CG2 THR A 151 1.239 -9.389 1.809 1.00 0.00 C ATOM 0 H THR A 151 3.048 -6.736 0.392 1.00 0.00 H new ATOM 0 HA THR A 151 2.072 -9.273 -0.749 1.00 0.00 H new ATOM 0 HB THR A 151 -0.138 -8.744 0.309 1.00 0.00 H new ATOM 0 HG1 THR A 151 0.608 -7.200 2.330 1.00 0.00 H new ATOM 0 HG21 THR A 151 0.481 -9.453 2.589 1.00 0.00 H new ATOM 0 HG22 THR A 151 1.373 -10.369 1.352 1.00 0.00 H new ATOM 0 HG23 THR A 151 2.182 -9.061 2.246 1.00 0.00 H new ATOM 904 N PRO A 152 0.853 -8.076 -2.611 1.00 0.00 N ATOM 905 CA PRO A 152 0.292 -7.380 -3.778 1.00 0.00 C ATOM 906 C PRO A 152 -0.886 -6.482 -3.415 1.00 0.00 C ATOM 907 O PRO A 152 -1.693 -6.820 -2.551 1.00 0.00 O ATOM 908 CB PRO A 152 -0.171 -8.521 -4.689 1.00 0.00 C ATOM 909 CG PRO A 152 0.656 -9.691 -4.284 1.00 0.00 C ATOM 910 CD PRO A 152 0.889 -9.537 -2.808 1.00 0.00 C ATOM 0 HA PRO A 152 1.023 -6.716 -4.239 1.00 0.00 H new ATOM 0 HB2 PRO A 152 -1.234 -8.724 -4.559 1.00 0.00 H new ATOM 0 HB3 PRO A 152 -0.020 -8.274 -5.740 1.00 0.00 H new ATOM 0 HG2 PRO A 152 0.143 -10.627 -4.503 1.00 0.00 H new ATOM 0 HG3 PRO A 152 1.600 -9.710 -4.829 1.00 0.00 H new ATOM 0 HD2 PRO A 152 0.119 -10.041 -2.224 1.00 0.00 H new ATOM 0 HD3 PRO A 152 1.847 -9.961 -2.505 1.00 0.00 H new ATOM 918 N LYS A 153 -0.975 -5.333 -4.080 1.00 0.00 N ATOM 919 CA LYS A 153 -2.049 -4.375 -3.831 1.00 0.00 C ATOM 920 C LYS A 153 -3.416 -5.061 -3.832 1.00 0.00 C ATOM 921 O LYS A 153 -3.756 -5.784 -4.768 1.00 0.00 O ATOM 922 CB LYS A 153 -2.019 -3.272 -4.890 1.00 0.00 C ATOM 923 CG LYS A 153 -3.101 -2.220 -4.710 1.00 0.00 C ATOM 924 CD LYS A 153 -3.020 -1.151 -5.787 1.00 0.00 C ATOM 925 CE LYS A 153 -4.096 -0.095 -5.606 1.00 0.00 C ATOM 926 NZ LYS A 153 -4.028 0.955 -6.661 1.00 0.00 N ATOM 0 H LYS A 153 -0.313 -5.042 -4.799 1.00 0.00 H new ATOM 0 HA LYS A 153 -1.891 -3.938 -2.845 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -1.044 -2.785 -4.867 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -2.126 -3.725 -5.876 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -4.081 -2.695 -4.740 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -3.001 -1.758 -3.728 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -2.038 -0.679 -5.760 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -3.124 -1.613 -6.769 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -5.077 -0.569 -5.629 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -3.988 0.368 -4.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -3.735 1.857 -6.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -3.338 0.674 -7.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -4.964 1.068 -7.099 1.00 0.00 H new ATOM 940 N PRO A 154 -4.220 -4.842 -2.772 1.00 0.00 N ATOM 941 CA PRO A 154 -5.553 -5.444 -2.650 1.00 0.00 C ATOM 942 C PRO A 154 -6.590 -4.763 -3.540 1.00 0.00 C ATOM 943 O PRO A 154 -6.258 -4.226 -4.598 1.00 0.00 O ATOM 944 CB PRO A 154 -5.893 -5.229 -1.176 1.00 0.00 C ATOM 945 CG PRO A 154 -5.159 -3.991 -0.800 1.00 0.00 C ATOM 946 CD PRO A 154 -3.889 -3.995 -1.608 1.00 0.00 C ATOM 0 HA PRO A 154 -5.560 -6.488 -2.963 1.00 0.00 H new ATOM 0 HB2 PRO A 154 -6.967 -5.113 -1.029 1.00 0.00 H new ATOM 0 HB3 PRO A 154 -5.578 -6.077 -0.568 1.00 0.00 H new ATOM 0 HG2 PRO A 154 -5.755 -3.104 -1.016 1.00 0.00 H new ATOM 0 HG3 PRO A 154 -4.941 -3.977 0.268 1.00 0.00 H new ATOM 0 HD2 PRO A 154 -3.605 -2.988 -1.913 1.00 0.00 H new ATOM 0 HD3 PRO A 154 -3.054 -4.404 -1.040 1.00 0.00 H new ATOM 954 N HIS A 155 -7.849 -4.790 -3.102 1.00 0.00 N ATOM 955 CA HIS A 155 -8.937 -4.174 -3.858 1.00 0.00 C ATOM 956 C HIS A 155 -10.081 -3.761 -2.936 1.00 0.00 C ATOM 957 O HIS A 155 -10.298 -4.370 -1.888 1.00 0.00 O ATOM 958 CB HIS A 155 -9.452 -5.135 -4.931 1.00 0.00 C ATOM 959 CG HIS A 155 -10.025 -6.403 -4.380 1.00 0.00 C ATOM 960 ND1 HIS A 155 -9.294 -7.294 -3.622 1.00 0.00 N ATOM 961 CD2 HIS A 155 -11.270 -6.927 -4.477 1.00 0.00 C ATOM 962 CE1 HIS A 155 -10.063 -8.313 -3.280 1.00 0.00 C ATOM 963 NE2 HIS A 155 -11.266 -8.113 -3.786 1.00 0.00 N ATOM 0 H HIS A 155 -8.139 -5.231 -2.229 1.00 0.00 H new ATOM 0 HA HIS A 155 -8.545 -3.279 -4.341 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -10.215 -4.629 -5.523 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -8.634 -5.381 -5.608 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -12.109 -6.493 -5.000 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -9.759 -9.164 -2.688 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -12.064 -8.739 -3.680 1.00 0.00 H new ATOM 972 N CYS A 156 -10.816 -2.726 -3.336 1.00 0.00 N ATOM 973 CA CYS A 156 -11.943 -2.234 -2.549 1.00 0.00 C ATOM 974 C CYS A 156 -13.260 -2.780 -3.092 1.00 0.00 C ATOM 975 O CYS A 156 -13.470 -2.827 -4.304 1.00 0.00 O ATOM 976 CB CYS A 156 -11.970 -0.705 -2.555 1.00 0.00 C ATOM 977 SG CYS A 156 -10.537 0.065 -1.736 1.00 0.00 S ATOM 0 H CYS A 156 -10.651 -2.212 -4.201 1.00 0.00 H new ATOM 0 HA CYS A 156 -11.819 -2.582 -1.524 1.00 0.00 H new ATOM 0 HB2 CYS A 156 -12.016 -0.357 -3.587 1.00 0.00 H new ATOM 0 HB3 CYS A 156 -12.882 -0.366 -2.063 1.00 0.00 H new ATOM 982 N GLN A 157 -14.140 -3.200 -2.187 1.00 0.00 N ATOM 983 CA GLN A 157 -15.433 -3.752 -2.582 1.00 0.00 C ATOM 984 C GLN A 157 -16.586 -2.940 -1.998 1.00 0.00 C ATOM 985 O GLN A 157 -16.570 -2.572 -0.824 1.00 0.00 O ATOM 986 CB GLN A 157 -15.542 -5.210 -2.129 1.00 0.00 C ATOM 987 CG GLN A 157 -16.853 -5.878 -2.517 1.00 0.00 C ATOM 988 CD GLN A 157 -17.055 -5.950 -4.018 1.00 0.00 C ATOM 989 OE1 GLN A 157 -17.133 -4.926 -4.698 1.00 0.00 O ATOM 990 NE2 GLN A 157 -17.141 -7.166 -4.544 1.00 0.00 N ATOM 0 H GLN A 157 -13.983 -3.169 -1.180 1.00 0.00 H new ATOM 0 HA GLN A 157 -15.500 -3.703 -3.669 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -14.716 -5.777 -2.558 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -15.430 -5.253 -1.046 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -16.878 -6.886 -2.103 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -17.681 -5.329 -2.070 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -17.071 -7.988 -3.944 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -17.277 -7.279 -5.549 1.00 0.00 H new ATOM 999 N VAL A 158 -17.590 -2.670 -2.829 1.00 0.00 N ATOM 1000 CA VAL A 158 -18.758 -1.909 -2.400 1.00 0.00 C ATOM 1001 C VAL A 158 -19.595 -2.708 -1.402 1.00 0.00 C ATOM 1002 O VAL A 158 -19.716 -3.928 -1.519 1.00 0.00 O ATOM 1003 CB VAL A 158 -19.641 -1.509 -3.600 1.00 0.00 C ATOM 1004 CG1 VAL A 158 -20.148 -2.743 -4.330 1.00 0.00 C ATOM 1005 CG2 VAL A 158 -20.801 -0.635 -3.146 1.00 0.00 C ATOM 0 H VAL A 158 -17.617 -2.968 -3.804 1.00 0.00 H new ATOM 0 HA VAL A 158 -18.390 -1.004 -1.917 1.00 0.00 H new ATOM 0 HB VAL A 158 -19.031 -0.931 -4.294 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -20.769 -2.438 -5.173 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -19.301 -3.324 -4.695 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -20.739 -3.353 -3.647 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -21.411 -0.364 -4.008 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -21.410 -1.183 -2.428 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -20.413 0.269 -2.677 1.00 0.00 H new ATOM 1015 N ASN A 159 -20.165 -2.014 -0.422 1.00 0.00 N ATOM 1016 CA ASN A 159 -20.987 -2.661 0.596 1.00 0.00 C ATOM 1017 C ASN A 159 -22.145 -3.426 -0.038 1.00 0.00 C ATOM 1018 O ASN A 159 -22.563 -3.047 -1.153 1.00 0.00 O ATOM 1019 CB ASN A 159 -21.526 -1.623 1.583 1.00 0.00 C ATOM 1020 CG ASN A 159 -22.389 -0.573 0.910 1.00 0.00 C ATOM 1021 OD1 ASN A 159 -23.418 -0.888 0.312 1.00 0.00 O ATOM 1022 ND2 ASN A 159 -21.973 0.684 1.005 1.00 0.00 N ATOM 1023 OXT ASN A 159 -22.622 -4.397 0.583 1.00 0.00 O ATOM 0 H ASN A 159 -20.073 -1.004 -0.311 1.00 0.00 H new ATOM 0 HA ASN A 159 -20.359 -3.372 1.133 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -22.109 -2.128 2.354 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -20.690 -1.135 2.084 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -22.513 1.434 0.573 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -21.114 0.900 1.510 1.00 0.00 H new