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 Set 1.1: A 142 SER OG : rot -29:sc= 1.17 USER MOD Set 1.2: A 151 THR OG1 : rot -168:sc= 1.09 USER MOD Set 2.1: A 100 SER OG : rot 176:sc= 1.05 USER MOD Set 2.2: A 102 SER OG : rot -99:sc= 1.3 USER MOD Single : A 101 LYS NZ :NH3+ 167:sc= -0.0204 (180deg=-0.209) USER MOD Single : A 103 TYR OH : rot 130:sc= -0.641 USER MOD Single : A 105 THR OG1 : rot -4:sc= 0.691 USER MOD Single : A 108 ASN :FLIP amide:sc= -0.17 F(o=-2.4!,f=-0.17) USER MOD Single : A 110 LYS NZ :NH3+ 167:sc= -0.0582 (180deg=-0.285) USER MOD Single : A 114 THR OG1 : rot -23:sc= 0.478 USER MOD Single : A 135 HIS : no HD1:sc= 0.338 K(o=0.34,f=-3.3!) USER MOD Single : A 139 SER OG : rot 132:sc= -1.73! USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 145 SER OG : rot 180:sc= 0 USER MOD Single : A 146 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 148 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 153 LYS NZ :NH3+ -125:sc= -3.27! (180deg=-6.68!) USER MOD Single : A 155 HIS : no HD1:sc= -0.452 K(o=-0.45,f=-1.2) USER MOD Single : A 157 GLN :FLIP amide:sc= -1.28 F(o=-4.1!,f=-1.3) USER MOD Single : A 159 ASN : amide:sc= 0.0118 K(o=0.012,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 103 N ILE A 98 12.005 1.691 -4.760 1.00 0.00 N ATOM 104 CA ILE A 98 11.077 2.056 -3.694 1.00 0.00 C ATOM 105 C ILE A 98 9.786 1.256 -3.805 1.00 0.00 C ATOM 106 O ILE A 98 8.710 1.740 -3.455 1.00 0.00 O ATOM 107 CB ILE A 98 10.740 3.560 -3.732 1.00 0.00 C ATOM 108 CG1 ILE A 98 12.010 4.378 -3.965 1.00 0.00 C ATOM 109 CG2 ILE A 98 10.061 3.990 -2.441 1.00 0.00 C ATOM 110 CD1 ILE A 98 11.768 5.866 -4.056 1.00 0.00 C ATOM 0 HA ILE A 98 11.569 1.827 -2.749 1.00 0.00 H new ATOM 0 HB ILE A 98 10.050 3.740 -4.557 1.00 0.00 H new ATOM 0 HG12 ILE A 98 12.711 4.182 -3.154 1.00 0.00 H new ATOM 0 HG13 ILE A 98 12.485 4.040 -4.886 1.00 0.00 H new ATOM 0 HG21 ILE A 98 9.831 5.055 -2.488 1.00 0.00 H new ATOM 0 HG22 ILE A 98 9.138 3.425 -2.310 1.00 0.00 H new ATOM 0 HG23 ILE A 98 10.726 3.799 -1.599 1.00 0.00 H new ATOM 0 HD11 ILE A 98 12.715 6.379 -4.222 1.00 0.00 H new ATOM 0 HD12 ILE A 98 11.092 6.075 -4.885 1.00 0.00 H new ATOM 0 HD13 ILE A 98 11.322 6.220 -3.127 1.00 0.00 H new ATOM 122 N CYS A 99 9.909 0.027 -4.293 1.00 0.00 N ATOM 123 CA CYS A 99 8.757 -0.850 -4.456 1.00 0.00 C ATOM 124 C CYS A 99 7.716 -0.216 -5.378 1.00 0.00 C ATOM 125 O CYS A 99 7.599 1.007 -5.445 1.00 0.00 O ATOM 126 CB CYS A 99 8.142 -1.153 -3.094 1.00 0.00 C ATOM 127 SG CYS A 99 9.246 -2.054 -1.961 1.00 0.00 S ATOM 0 H CYS A 99 10.796 -0.384 -4.583 1.00 0.00 H new ATOM 0 HA CYS A 99 9.091 -1.781 -4.913 1.00 0.00 H new ATOM 0 HB2 CYS A 99 7.845 -0.215 -2.625 1.00 0.00 H new ATOM 0 HB3 CYS A 99 7.234 -1.738 -3.240 1.00 0.00 H new ATOM 132 N SER A 100 6.967 -1.051 -6.096 1.00 0.00 N ATOM 133 CA SER A 100 5.941 -0.559 -7.014 1.00 0.00 C ATOM 134 C SER A 100 5.185 0.620 -6.403 1.00 0.00 C ATOM 135 O SER A 100 4.306 0.442 -5.560 1.00 0.00 O ATOM 136 CB SER A 100 4.968 -1.685 -7.370 1.00 0.00 C ATOM 137 OG SER A 100 3.993 -1.243 -8.297 1.00 0.00 O ATOM 0 H SER A 100 7.050 -2.067 -6.060 1.00 0.00 H new ATOM 0 HA SER A 100 6.432 -0.215 -7.924 1.00 0.00 H new ATOM 0 HB2 SER A 100 5.519 -2.526 -7.791 1.00 0.00 H new ATOM 0 HB3 SER A 100 4.477 -2.045 -6.466 1.00 0.00 H new ATOM 0 HG SER A 100 3.423 -1.997 -8.557 1.00 0.00 H new ATOM 143 N LYS A 101 5.551 1.825 -6.829 1.00 0.00 N ATOM 144 CA LYS A 101 4.936 3.051 -6.326 1.00 0.00 C ATOM 145 C LYS A 101 3.432 3.085 -6.595 1.00 0.00 C ATOM 146 O LYS A 101 2.694 3.824 -5.942 1.00 0.00 O ATOM 147 CB LYS A 101 5.614 4.272 -6.953 1.00 0.00 C ATOM 148 CG LYS A 101 5.068 5.601 -6.451 1.00 0.00 C ATOM 149 CD LYS A 101 5.828 6.779 -7.041 1.00 0.00 C ATOM 150 CE LYS A 101 5.692 6.838 -8.554 1.00 0.00 C ATOM 151 NZ LYS A 101 4.276 7.008 -8.979 1.00 0.00 N ATOM 0 H LYS A 101 6.277 1.980 -7.528 1.00 0.00 H new ATOM 0 HA LYS A 101 5.076 3.074 -5.245 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.684 4.228 -6.747 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.495 4.226 -8.036 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.012 5.682 -6.710 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.133 5.634 -5.363 1.00 0.00 H new ATOM 0 HD2 LYS A 101 5.455 7.706 -6.606 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.882 6.702 -6.774 1.00 0.00 H new ATOM 0 HE2 LYS A 101 6.288 7.665 -8.940 1.00 0.00 H new ATOM 0 HE3 LYS A 101 6.094 5.924 -8.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 4.244 7.263 -9.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 3.760 6.118 -8.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.833 7.763 -8.417 1.00 0.00 H new ATOM 165 N SER A 102 2.985 2.287 -7.560 1.00 0.00 N ATOM 166 CA SER A 102 1.569 2.235 -7.916 1.00 0.00 C ATOM 167 C SER A 102 0.699 1.965 -6.691 1.00 0.00 C ATOM 168 O SER A 102 -0.429 2.450 -6.601 1.00 0.00 O ATOM 169 CB SER A 102 1.328 1.153 -8.970 1.00 0.00 C ATOM 170 OG SER A 102 1.654 -0.131 -8.467 1.00 0.00 O ATOM 0 H SER A 102 3.581 1.668 -8.109 1.00 0.00 H new ATOM 0 HA SER A 102 1.292 3.207 -8.325 1.00 0.00 H new ATOM 0 HB2 SER A 102 0.284 1.171 -9.281 1.00 0.00 H new ATOM 0 HB3 SER A 102 1.928 1.363 -9.855 1.00 0.00 H new ATOM 0 HG SER A 102 2.550 -0.384 -8.772 1.00 0.00 H new ATOM 176 N TYR A 103 1.225 1.183 -5.753 1.00 0.00 N ATOM 177 CA TYR A 103 0.493 0.841 -4.535 1.00 0.00 C ATOM 178 C TYR A 103 0.065 2.088 -3.766 1.00 0.00 C ATOM 179 O TYR A 103 -1.071 2.178 -3.301 1.00 0.00 O ATOM 180 CB TYR A 103 1.346 -0.049 -3.630 1.00 0.00 C ATOM 181 CG TYR A 103 1.582 -1.444 -4.170 1.00 0.00 C ATOM 182 CD1 TYR A 103 1.933 -1.654 -5.499 1.00 0.00 C ATOM 183 CD2 TYR A 103 1.457 -2.553 -3.343 1.00 0.00 C ATOM 184 CE1 TYR A 103 2.149 -2.929 -5.986 1.00 0.00 C ATOM 185 CE2 TYR A 103 1.676 -3.829 -3.824 1.00 0.00 C ATOM 186 CZ TYR A 103 2.020 -4.012 -5.145 1.00 0.00 C ATOM 187 OH TYR A 103 2.237 -5.283 -5.626 1.00 0.00 O ATOM 0 H TYR A 103 2.157 0.773 -5.812 1.00 0.00 H new ATOM 0 HA TYR A 103 -0.404 0.300 -4.837 1.00 0.00 H new ATOM 0 HB2 TYR A 103 2.310 0.434 -3.470 1.00 0.00 H new ATOM 0 HB3 TYR A 103 0.863 -0.126 -2.656 1.00 0.00 H new ATOM 0 HD1 TYR A 103 2.038 -0.807 -6.161 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.184 -2.415 -2.307 1.00 0.00 H new ATOM 0 HE1 TYR A 103 2.418 -3.076 -7.022 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.578 -4.680 -3.167 1.00 0.00 H new ATOM 0 HH TYR A 103 2.856 -5.756 -5.032 1.00 0.00 H new ATOM 197 N LEU A 104 0.983 3.043 -3.626 1.00 0.00 N ATOM 198 CA LEU A 104 0.698 4.279 -2.902 1.00 0.00 C ATOM 199 C LEU A 104 -0.606 4.909 -3.383 1.00 0.00 C ATOM 200 O LEU A 104 -1.393 5.415 -2.582 1.00 0.00 O ATOM 201 CB LEU A 104 1.853 5.270 -3.063 1.00 0.00 C ATOM 202 CG LEU A 104 3.183 4.815 -2.458 1.00 0.00 C ATOM 203 CD1 LEU A 104 4.264 5.856 -2.706 1.00 0.00 C ATOM 204 CD2 LEU A 104 3.030 4.550 -0.967 1.00 0.00 C ATOM 0 H LEU A 104 1.929 2.984 -4.004 1.00 0.00 H new ATOM 0 HA LEU A 104 0.588 4.032 -1.846 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.001 5.463 -4.126 1.00 0.00 H new ATOM 0 HB3 LEU A 104 1.567 6.216 -2.604 1.00 0.00 H new ATOM 0 HG LEU A 104 3.481 3.885 -2.943 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.203 5.516 -2.269 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.393 5.998 -3.779 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.971 6.801 -2.248 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.986 4.227 -0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.708 5.463 -0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.286 3.769 -0.811 1.00 0.00 H new ATOM 216 N THR A 105 -0.833 4.868 -4.690 1.00 0.00 N ATOM 217 CA THR A 105 -2.048 5.427 -5.269 1.00 0.00 C ATOM 218 C THR A 105 -3.129 4.357 -5.388 1.00 0.00 C ATOM 219 O THR A 105 -2.874 3.255 -5.874 1.00 0.00 O ATOM 220 CB THR A 105 -1.785 6.034 -6.660 1.00 0.00 C ATOM 221 OG1 THR A 105 -1.293 5.025 -7.551 1.00 0.00 O ATOM 222 CG2 THR A 105 -0.778 7.171 -6.571 1.00 0.00 C ATOM 0 H THR A 105 -0.193 4.454 -5.368 1.00 0.00 H new ATOM 0 HA THR A 105 -2.387 6.218 -4.600 1.00 0.00 H new ATOM 0 HB THR A 105 -2.726 6.429 -7.043 1.00 0.00 H new ATOM 0 HG1 THR A 105 -1.170 4.186 -7.059 1.00 0.00 H new ATOM 0 HG21 THR A 105 -0.608 7.585 -7.565 1.00 0.00 H new ATOM 0 HG22 THR A 105 -1.166 7.950 -5.915 1.00 0.00 H new ATOM 0 HG23 THR A 105 0.162 6.794 -6.169 1.00 0.00 H new ATOM 230 N LEU A 106 -4.336 4.685 -4.936 1.00 0.00 N ATOM 231 CA LEU A 106 -5.451 3.746 -4.990 1.00 0.00 C ATOM 232 C LEU A 106 -6.768 4.469 -5.250 1.00 0.00 C ATOM 233 O LEU A 106 -7.092 5.451 -4.581 1.00 0.00 O ATOM 234 CB LEU A 106 -5.540 2.954 -3.681 1.00 0.00 C ATOM 235 CG LEU A 106 -6.736 2.003 -3.574 1.00 0.00 C ATOM 236 CD1 LEU A 106 -6.714 0.983 -4.702 1.00 0.00 C ATOM 237 CD2 LEU A 106 -6.740 1.304 -2.223 1.00 0.00 C ATOM 0 H LEU A 106 -4.566 5.592 -4.529 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.271 3.057 -5.815 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.624 2.375 -3.562 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.581 3.659 -2.851 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.650 2.590 -3.662 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.572 0.317 -4.607 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.760 1.500 -5.661 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.795 0.400 -4.647 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.596 0.632 -2.164 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -5.820 0.731 -2.107 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -6.807 2.048 -1.429 1.00 0.00 H new ATOM 249 N GLU A 107 -7.526 3.970 -6.221 1.00 0.00 N ATOM 250 CA GLU A 107 -8.814 4.560 -6.568 1.00 0.00 C ATOM 251 C GLU A 107 -9.806 4.383 -5.424 1.00 0.00 C ATOM 252 O GLU A 107 -9.941 3.290 -4.874 1.00 0.00 O ATOM 253 CB GLU A 107 -9.363 3.921 -7.846 1.00 0.00 C ATOM 254 CG GLU A 107 -10.692 4.503 -8.297 1.00 0.00 C ATOM 255 CD GLU A 107 -11.203 3.867 -9.575 1.00 0.00 C ATOM 256 OE1 GLU A 107 -10.501 3.955 -10.604 1.00 0.00 O ATOM 257 OE2 GLU A 107 -12.305 3.280 -9.547 1.00 0.00 O ATOM 0 H GLU A 107 -7.270 3.158 -6.782 1.00 0.00 H new ATOM 0 HA GLU A 107 -8.670 5.626 -6.742 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -8.633 4.044 -8.646 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.482 2.850 -7.684 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -11.431 4.367 -7.507 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -10.582 5.577 -8.449 1.00 0.00 H new ATOM 264 N ASN A 108 -10.492 5.465 -5.065 1.00 0.00 N ATOM 265 CA ASN A 108 -11.466 5.426 -3.980 1.00 0.00 C ATOM 266 C ASN A 108 -10.813 4.937 -2.691 1.00 0.00 C ATOM 267 O ASN A 108 -11.375 4.111 -1.973 1.00 0.00 O ATOM 268 CB ASN A 108 -12.644 4.517 -4.348 1.00 0.00 C ATOM 269 CG ASN A 108 -13.397 4.989 -5.580 1.00 0.00 C ATOM 270 OD1 ASN A 108 -12.972 6.112 -6.153 1.00 0.00 O flip ATOM 271 ND2 ASN A 108 -14.357 4.351 -6.012 1.00 0.00 N flip ATOM 0 H ASN A 108 -10.391 6.378 -5.509 1.00 0.00 H new ATOM 0 HA ASN A 108 -11.839 6.438 -3.821 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -12.275 3.506 -4.520 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -13.333 4.466 -3.505 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -14.652 3.494 -5.544 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -14.857 4.679 -6.838 1.00 0.00 H new ATOM 278 N GLY A 109 -9.620 5.452 -2.410 1.00 0.00 N ATOM 279 CA GLY A 109 -8.903 5.052 -1.212 1.00 0.00 C ATOM 280 C GLY A 109 -7.622 5.836 -1.015 1.00 0.00 C ATOM 281 O GLY A 109 -7.136 6.489 -1.939 1.00 0.00 O ATOM 0 H GLY A 109 -9.137 6.138 -2.990 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -9.547 5.190 -0.344 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.670 3.989 -1.270 1.00 0.00 H new ATOM 285 N LYS A 110 -7.075 5.771 0.194 1.00 0.00 N ATOM 286 CA LYS A 110 -5.842 6.479 0.517 1.00 0.00 C ATOM 287 C LYS A 110 -4.904 5.592 1.327 1.00 0.00 C ATOM 288 O LYS A 110 -5.328 4.925 2.273 1.00 0.00 O ATOM 289 CB LYS A 110 -6.151 7.759 1.296 1.00 0.00 C ATOM 290 CG LYS A 110 -7.018 8.743 0.529 1.00 0.00 C ATOM 291 CD LYS A 110 -7.303 9.991 1.349 1.00 0.00 C ATOM 292 CE LYS A 110 -8.163 10.979 0.578 1.00 0.00 C ATOM 293 NZ LYS A 110 -9.475 10.392 0.193 1.00 0.00 N ATOM 0 H LYS A 110 -7.467 5.234 0.968 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.348 6.743 -0.418 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -6.652 7.496 2.228 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.214 8.246 1.565 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.519 9.022 -0.399 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.958 8.264 0.254 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -7.807 9.712 2.274 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.363 10.466 1.629 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -8.328 11.868 1.186 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -7.632 11.300 -0.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -10.112 11.148 -0.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -9.336 9.704 -0.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -9.895 9.913 1.015 1.00 0.00 H new ATOM 307 N VAL A 111 -3.631 5.582 0.947 1.00 0.00 N ATOM 308 CA VAL A 111 -2.634 4.769 1.633 1.00 0.00 C ATOM 309 C VAL A 111 -1.708 5.629 2.490 1.00 0.00 C ATOM 310 O VAL A 111 -1.097 6.579 2.000 1.00 0.00 O ATOM 311 CB VAL A 111 -1.787 3.966 0.627 1.00 0.00 C ATOM 312 CG1 VAL A 111 -0.706 3.171 1.343 1.00 0.00 C ATOM 313 CG2 VAL A 111 -2.672 3.048 -0.202 1.00 0.00 C ATOM 0 H VAL A 111 -3.265 6.128 0.167 1.00 0.00 H new ATOM 0 HA VAL A 111 -3.177 4.079 2.279 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.297 4.670 -0.046 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -0.121 2.612 0.612 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.052 3.853 1.886 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -1.169 2.477 2.044 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -2.057 2.489 -0.907 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -3.193 2.353 0.456 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -3.402 3.644 -0.750 1.00 0.00 H new ATOM 323 N PHE A 112 -1.602 5.281 3.770 1.00 0.00 N ATOM 324 CA PHE A 112 -0.740 6.011 4.693 1.00 0.00 C ATOM 325 C PHE A 112 0.727 5.677 4.444 1.00 0.00 C ATOM 326 O PHE A 112 1.110 4.508 4.409 1.00 0.00 O ATOM 327 CB PHE A 112 -1.115 5.687 6.143 1.00 0.00 C ATOM 328 CG PHE A 112 -2.391 6.341 6.606 1.00 0.00 C ATOM 329 CD1 PHE A 112 -3.514 6.367 5.793 1.00 0.00 C ATOM 330 CD2 PHE A 112 -2.462 6.929 7.858 1.00 0.00 C ATOM 331 CE1 PHE A 112 -4.683 6.969 6.221 1.00 0.00 C ATOM 332 CE2 PHE A 112 -3.628 7.532 8.292 1.00 0.00 C ATOM 333 CZ PHE A 112 -4.739 7.552 7.473 1.00 0.00 C ATOM 0 H PHE A 112 -2.103 4.498 4.191 1.00 0.00 H new ATOM 0 HA PHE A 112 -0.885 7.078 4.521 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -1.213 4.607 6.250 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -0.301 5.999 6.797 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -3.475 5.912 4.814 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -1.596 6.916 8.503 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -5.551 6.984 5.578 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -3.670 7.987 9.271 1.00 0.00 H new ATOM 0 HZ PHE A 112 -5.651 8.023 7.810 1.00 0.00 H new ATOM 343 N LEU A 113 1.542 6.712 4.265 1.00 0.00 N ATOM 344 CA LEU A 113 2.967 6.530 4.012 1.00 0.00 C ATOM 345 C LEU A 113 3.730 6.297 5.313 1.00 0.00 C ATOM 346 O LEU A 113 3.448 6.923 6.334 1.00 0.00 O ATOM 347 CB LEU A 113 3.529 7.750 3.263 1.00 0.00 C ATOM 348 CG LEU A 113 4.997 7.652 2.815 1.00 0.00 C ATOM 349 CD1 LEU A 113 5.943 7.858 3.989 1.00 0.00 C ATOM 350 CD2 LEU A 113 5.264 6.314 2.142 1.00 0.00 C ATOM 0 H LEU A 113 1.240 7.686 4.291 1.00 0.00 H new ATOM 0 HA LEU A 113 3.096 5.645 3.389 1.00 0.00 H new ATOM 0 HB2 LEU A 113 2.912 7.925 2.381 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.424 8.625 3.905 1.00 0.00 H new ATOM 0 HG LEU A 113 5.181 8.446 2.091 1.00 0.00 H new ATOM 0 HD11 LEU A 113 6.974 7.783 3.643 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.776 8.844 4.422 1.00 0.00 H new ATOM 0 HD13 LEU A 113 5.758 7.094 4.744 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.308 6.264 1.832 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.055 5.506 2.843 1.00 0.00 H new ATOM 0 HD23 LEU A 113 4.621 6.212 1.268 1.00 0.00 H new ATOM 362 N THR A 114 4.706 5.396 5.256 1.00 0.00 N ATOM 363 CA THR A 114 5.529 5.072 6.415 1.00 0.00 C ATOM 364 C THR A 114 6.854 4.460 5.963 1.00 0.00 C ATOM 365 O THR A 114 7.213 3.348 6.355 1.00 0.00 O ATOM 366 CB THR A 114 4.809 4.099 7.373 1.00 0.00 C ATOM 367 OG1 THR A 114 3.511 4.608 7.702 1.00 0.00 O ATOM 368 CG2 THR A 114 5.611 3.901 8.652 1.00 0.00 C ATOM 0 H THR A 114 4.947 4.874 4.413 1.00 0.00 H new ATOM 0 HA THR A 114 5.717 6.000 6.955 1.00 0.00 H new ATOM 0 HB THR A 114 4.711 3.138 6.868 1.00 0.00 H new ATOM 0 HG1 THR A 114 3.495 5.578 7.564 1.00 0.00 H new ATOM 0 HG21 THR A 114 5.082 3.211 9.310 1.00 0.00 H new ATOM 0 HG22 THR A 114 6.590 3.490 8.407 1.00 0.00 H new ATOM 0 HG23 THR A 114 5.735 4.860 9.156 1.00 0.00 H new ATOM 376 N GLY A 115 7.570 5.198 5.119 1.00 0.00 N ATOM 377 CA GLY A 115 8.842 4.729 4.604 1.00 0.00 C ATOM 378 C GLY A 115 9.754 5.875 4.213 1.00 0.00 C ATOM 379 O GLY A 115 10.370 6.505 5.074 1.00 0.00 O ATOM 0 H GLY A 115 7.288 6.118 4.782 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.334 4.115 5.358 1.00 0.00 H new ATOM 0 HA3 GLY A 115 8.669 4.091 3.737 1.00 0.00 H new ATOM 383 N GLY A 116 9.843 6.150 2.914 1.00 0.00 N ATOM 384 CA GLY A 116 10.692 7.232 2.450 1.00 0.00 C ATOM 385 C GLY A 116 10.672 7.404 0.942 1.00 0.00 C ATOM 386 O GLY A 116 9.605 7.457 0.328 1.00 0.00 O ATOM 0 H GLY A 116 9.346 5.646 2.180 1.00 0.00 H new ATOM 0 HA2 GLY A 116 10.373 8.162 2.919 1.00 0.00 H new ATOM 0 HA3 GLY A 116 11.716 7.046 2.774 1.00 0.00 H new ATOM 390 N ASP A 117 11.859 7.505 0.349 1.00 0.00 N ATOM 391 CA ASP A 117 11.992 7.688 -1.093 1.00 0.00 C ATOM 392 C ASP A 117 13.432 7.421 -1.532 1.00 0.00 C ATOM 393 O ASP A 117 14.093 8.291 -2.101 1.00 0.00 O ATOM 394 CB ASP A 117 11.574 9.109 -1.482 1.00 0.00 C ATOM 395 CG ASP A 117 11.607 9.340 -2.981 1.00 0.00 C ATOM 396 OD1 ASP A 117 10.842 8.666 -3.702 1.00 0.00 O ATOM 397 OD2 ASP A 117 12.396 10.196 -3.431 1.00 0.00 O ATOM 0 H ASP A 117 12.747 7.463 0.849 1.00 0.00 H new ATOM 0 HA ASP A 117 11.338 6.977 -1.599 1.00 0.00 H new ATOM 0 HB2 ASP A 117 10.567 9.301 -1.111 1.00 0.00 H new ATOM 0 HB3 ASP A 117 12.236 9.824 -0.994 1.00 0.00 H new ATOM 402 N LEU A 118 13.912 6.213 -1.251 1.00 0.00 N ATOM 403 CA LEU A 118 15.273 5.815 -1.600 1.00 0.00 C ATOM 404 C LEU A 118 15.271 4.458 -2.298 1.00 0.00 C ATOM 405 O LEU A 118 14.334 3.676 -2.134 1.00 0.00 O ATOM 406 CB LEU A 118 16.164 5.749 -0.353 1.00 0.00 C ATOM 407 CG LEU A 118 16.571 7.098 0.249 1.00 0.00 C ATOM 408 CD1 LEU A 118 15.365 7.823 0.825 1.00 0.00 C ATOM 409 CD2 LEU A 118 17.627 6.899 1.324 1.00 0.00 C ATOM 0 H LEU A 118 13.374 5.487 -0.779 1.00 0.00 H new ATOM 0 HA LEU A 118 15.675 6.568 -2.278 1.00 0.00 H new ATOM 0 HB2 LEU A 118 15.643 5.174 0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 118 17.070 5.197 -0.606 1.00 0.00 H new ATOM 0 HG LEU A 118 16.990 7.713 -0.548 1.00 0.00 H new ATOM 0 HD11 LEU A 118 15.681 8.777 1.246 1.00 0.00 H new ATOM 0 HD12 LEU A 118 14.635 7.999 0.035 1.00 0.00 H new ATOM 0 HD13 LEU A 118 14.913 7.213 1.607 1.00 0.00 H new ATOM 0 HD21 LEU A 118 17.907 7.866 1.743 1.00 0.00 H new ATOM 0 HD22 LEU A 118 17.227 6.263 2.114 1.00 0.00 H new ATOM 0 HD23 LEU A 118 18.506 6.425 0.887 1.00 0.00 H new ATOM 421 N PRO A 119 16.319 4.158 -3.090 1.00 0.00 N ATOM 422 CA PRO A 119 16.420 2.889 -3.811 1.00 0.00 C ATOM 423 C PRO A 119 16.009 1.698 -2.954 1.00 0.00 C ATOM 424 O PRO A 119 16.608 1.436 -1.910 1.00 0.00 O ATOM 425 CB PRO A 119 17.905 2.813 -4.159 1.00 0.00 C ATOM 426 CG PRO A 119 18.327 4.235 -4.306 1.00 0.00 C ATOM 427 CD PRO A 119 17.481 5.032 -3.346 1.00 0.00 C ATOM 0 HA PRO A 119 15.758 2.851 -4.676 1.00 0.00 H new ATOM 0 HB2 PRO A 119 18.471 2.310 -3.375 1.00 0.00 H new ATOM 0 HB3 PRO A 119 18.069 2.253 -5.080 1.00 0.00 H new ATOM 0 HG2 PRO A 119 19.387 4.351 -4.078 1.00 0.00 H new ATOM 0 HG3 PRO A 119 18.181 4.579 -5.330 1.00 0.00 H new ATOM 0 HD2 PRO A 119 18.023 5.256 -2.427 1.00 0.00 H new ATOM 0 HD3 PRO A 119 17.177 5.985 -3.778 1.00 0.00 H new ATOM 435 N ALA A 120 14.980 0.985 -3.414 1.00 0.00 N ATOM 436 CA ALA A 120 14.459 -0.187 -2.713 1.00 0.00 C ATOM 437 C ALA A 120 13.684 0.206 -1.454 1.00 0.00 C ATOM 438 O ALA A 120 12.642 -0.378 -1.156 1.00 0.00 O ATOM 439 CB ALA A 120 15.581 -1.155 -2.370 1.00 0.00 C ATOM 0 H ALA A 120 14.487 1.203 -4.280 1.00 0.00 H new ATOM 0 HA ALA A 120 13.763 -0.687 -3.387 1.00 0.00 H new ATOM 0 HB1 ALA A 120 15.169 -2.019 -1.849 1.00 0.00 H new ATOM 0 HB2 ALA A 120 16.071 -1.483 -3.287 1.00 0.00 H new ATOM 0 HB3 ALA A 120 16.308 -0.657 -1.728 1.00 0.00 H new ATOM 445 N LEU A 121 14.193 1.194 -0.721 1.00 0.00 N ATOM 446 CA LEU A 121 13.546 1.657 0.500 1.00 0.00 C ATOM 447 C LEU A 121 13.331 0.502 1.472 1.00 0.00 C ATOM 448 O LEU A 121 12.205 0.221 1.882 1.00 0.00 O ATOM 449 CB LEU A 121 12.209 2.330 0.177 1.00 0.00 C ATOM 450 CG LEU A 121 11.596 3.118 1.334 1.00 0.00 C ATOM 451 CD1 LEU A 121 12.561 4.195 1.803 1.00 0.00 C ATOM 452 CD2 LEU A 121 10.267 3.731 0.921 1.00 0.00 C ATOM 0 H LEU A 121 15.054 1.689 -0.954 1.00 0.00 H new ATOM 0 HA LEU A 121 14.202 2.388 0.973 1.00 0.00 H new ATOM 0 HB2 LEU A 121 12.351 3.003 -0.668 1.00 0.00 H new ATOM 0 HB3 LEU A 121 11.500 1.565 -0.140 1.00 0.00 H new ATOM 0 HG LEU A 121 11.410 2.433 2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 121 12.114 4.750 2.628 1.00 0.00 H new ATOM 0 HD12 LEU A 121 13.489 3.731 2.139 1.00 0.00 H new ATOM 0 HD13 LEU A 121 12.773 4.877 0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 121 9.847 4.288 1.759 1.00 0.00 H new ATOM 0 HD22 LEU A 121 10.423 4.405 0.079 1.00 0.00 H new ATOM 0 HD23 LEU A 121 9.577 2.940 0.629 1.00 0.00 H new ATOM 464 N ASP A 122 14.421 -0.170 1.831 1.00 0.00 N ATOM 465 CA ASP A 122 14.361 -1.301 2.749 1.00 0.00 C ATOM 466 C ASP A 122 13.596 -0.939 4.020 1.00 0.00 C ATOM 467 O ASP A 122 13.777 0.141 4.582 1.00 0.00 O ATOM 468 CB ASP A 122 15.774 -1.767 3.106 1.00 0.00 C ATOM 469 CG ASP A 122 15.771 -2.939 4.068 1.00 0.00 C ATOM 470 OD1 ASP A 122 15.204 -3.995 3.716 1.00 0.00 O ATOM 471 OD2 ASP A 122 16.335 -2.801 5.173 1.00 0.00 O ATOM 0 H ASP A 122 15.360 0.051 1.498 1.00 0.00 H new ATOM 0 HA ASP A 122 13.830 -2.112 2.250 1.00 0.00 H new ATOM 0 HB2 ASP A 122 16.301 -2.050 2.195 1.00 0.00 H new ATOM 0 HB3 ASP A 122 16.326 -0.938 3.549 1.00 0.00 H new ATOM 476 N GLY A 123 12.743 -1.856 4.464 1.00 0.00 N ATOM 477 CA GLY A 123 11.956 -1.631 5.663 1.00 0.00 C ATOM 478 C GLY A 123 10.864 -0.594 5.467 1.00 0.00 C ATOM 479 O GLY A 123 10.524 0.139 6.396 1.00 0.00 O ATOM 0 H GLY A 123 12.582 -2.756 4.012 1.00 0.00 H new ATOM 0 HA2 GLY A 123 11.504 -2.572 5.977 1.00 0.00 H new ATOM 0 HA3 GLY A 123 12.615 -1.309 6.469 1.00 0.00 H new ATOM 483 N ALA A 124 10.305 -0.545 4.262 1.00 0.00 N ATOM 484 CA ALA A 124 9.235 0.396 3.952 1.00 0.00 C ATOM 485 C ALA A 124 7.884 -0.169 4.377 1.00 0.00 C ATOM 486 O ALA A 124 7.680 -1.383 4.358 1.00 0.00 O ATOM 487 CB ALA A 124 9.229 0.731 2.469 1.00 0.00 C ATOM 0 H ALA A 124 10.576 -1.146 3.484 1.00 0.00 H new ATOM 0 HA ALA A 124 9.415 1.314 4.511 1.00 0.00 H new ATOM 0 HB1 ALA A 124 8.423 1.434 2.258 1.00 0.00 H new ATOM 0 HB2 ALA A 124 10.184 1.179 2.193 1.00 0.00 H new ATOM 0 HB3 ALA A 124 9.076 -0.180 1.891 1.00 0.00 H new ATOM 493 N ARG A 125 6.965 0.708 4.766 1.00 0.00 N ATOM 494 CA ARG A 125 5.640 0.276 5.199 1.00 0.00 C ATOM 495 C ARG A 125 4.567 1.276 4.783 1.00 0.00 C ATOM 496 O ARG A 125 4.780 2.488 4.824 1.00 0.00 O ATOM 497 CB ARG A 125 5.612 0.082 6.717 1.00 0.00 C ATOM 498 CG ARG A 125 6.558 -0.999 7.213 1.00 0.00 C ATOM 499 CD ARG A 125 6.433 -1.207 8.714 1.00 0.00 C ATOM 500 NE ARG A 125 6.759 0.001 9.468 1.00 0.00 N ATOM 501 CZ ARG A 125 7.964 0.568 9.476 1.00 0.00 C ATOM 502 NH1 ARG A 125 8.959 0.033 8.781 1.00 0.00 N ATOM 503 NH2 ARG A 125 8.173 1.669 10.183 1.00 0.00 N ATOM 0 H ARG A 125 7.111 1.717 4.791 1.00 0.00 H new ATOM 0 HA ARG A 125 5.426 -0.675 4.712 1.00 0.00 H new ATOM 0 HB2 ARG A 125 5.868 1.025 7.200 1.00 0.00 H new ATOM 0 HB3 ARG A 125 4.596 -0.168 7.024 1.00 0.00 H new ATOM 0 HG2 ARG A 125 6.345 -1.935 6.696 1.00 0.00 H new ATOM 0 HG3 ARG A 125 7.584 -0.726 6.967 1.00 0.00 H new ATOM 0 HD2 ARG A 125 5.416 -1.519 8.952 1.00 0.00 H new ATOM 0 HD3 ARG A 125 7.095 -2.016 9.023 1.00 0.00 H new ATOM 0 HE ARG A 125 6.020 0.436 10.021 1.00 0.00 H new ATOM 0 HH11 ARG A 125 8.803 -0.816 8.238 1.00 0.00 H new ATOM 0 HH12 ARG A 125 9.880 0.471 8.790 1.00 0.00 H new ATOM 0 HH21 ARG A 125 7.411 2.082 10.721 1.00 0.00 H new ATOM 0 HH22 ARG A 125 9.096 2.104 10.189 1.00 0.00 H new ATOM 517 N VAL A 126 3.409 0.753 4.389 1.00 0.00 N ATOM 518 CA VAL A 126 2.286 1.586 3.968 1.00 0.00 C ATOM 519 C VAL A 126 0.956 0.922 4.326 1.00 0.00 C ATOM 520 O VAL A 126 0.750 -0.268 4.067 1.00 0.00 O ATOM 521 CB VAL A 126 2.316 1.864 2.452 1.00 0.00 C ATOM 522 CG1 VAL A 126 3.512 2.727 2.080 1.00 0.00 C ATOM 523 CG2 VAL A 126 2.334 0.561 1.668 1.00 0.00 C ATOM 0 H VAL A 126 3.223 -0.249 4.352 1.00 0.00 H new ATOM 0 HA VAL A 126 2.379 2.534 4.498 1.00 0.00 H new ATOM 0 HB VAL A 126 1.410 2.411 2.192 1.00 0.00 H new ATOM 0 HG11 VAL A 126 3.510 2.908 1.005 1.00 0.00 H new ATOM 0 HG12 VAL A 126 3.453 3.678 2.609 1.00 0.00 H new ATOM 0 HG13 VAL A 126 4.432 2.214 2.359 1.00 0.00 H new ATOM 0 HG21 VAL A 126 2.355 0.779 0.600 1.00 0.00 H new ATOM 0 HG22 VAL A 126 3.220 -0.014 1.938 1.00 0.00 H new ATOM 0 HG23 VAL A 126 1.440 -0.017 1.903 1.00 0.00 H new ATOM 533 N GLU A 127 0.064 1.701 4.932 1.00 0.00 N ATOM 534 CA GLU A 127 -1.248 1.204 5.339 1.00 0.00 C ATOM 535 C GLU A 127 -2.296 1.456 4.258 1.00 0.00 C ATOM 536 O GLU A 127 -2.412 2.565 3.739 1.00 0.00 O ATOM 537 CB GLU A 127 -1.676 1.868 6.647 1.00 0.00 C ATOM 538 CG GLU A 127 -0.772 1.535 7.822 1.00 0.00 C ATOM 539 CD GLU A 127 -1.193 2.235 9.099 1.00 0.00 C ATOM 540 OE1 GLU A 127 -1.213 3.484 9.113 1.00 0.00 O ATOM 541 OE2 GLU A 127 -1.502 1.534 10.085 1.00 0.00 O ATOM 0 H GLU A 127 0.227 2.683 5.153 1.00 0.00 H new ATOM 0 HA GLU A 127 -1.170 0.127 5.489 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -1.693 2.949 6.507 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -2.695 1.561 6.884 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -0.776 0.457 7.985 1.00 0.00 H new ATOM 0 HG3 GLU A 127 0.252 1.817 7.579 1.00 0.00 H new ATOM 548 N PHE A 128 -3.060 0.420 3.931 1.00 0.00 N ATOM 549 CA PHE A 128 -4.105 0.525 2.915 1.00 0.00 C ATOM 550 C PHE A 128 -5.486 0.610 3.557 1.00 0.00 C ATOM 551 O PHE A 128 -5.740 -0.004 4.594 1.00 0.00 O ATOM 552 CB PHE A 128 -4.062 -0.672 1.960 1.00 0.00 C ATOM 553 CG PHE A 128 -2.746 -0.855 1.260 1.00 0.00 C ATOM 554 CD1 PHE A 128 -1.602 -1.176 1.973 1.00 0.00 C ATOM 555 CD2 PHE A 128 -2.654 -0.711 -0.114 1.00 0.00 C ATOM 556 CE1 PHE A 128 -0.394 -1.349 1.329 1.00 0.00 C ATOM 557 CE2 PHE A 128 -1.446 -0.882 -0.763 1.00 0.00 C ATOM 558 CZ PHE A 128 -0.315 -1.202 -0.041 1.00 0.00 C ATOM 0 H PHE A 128 -2.976 -0.504 4.354 1.00 0.00 H new ATOM 0 HA PHE A 128 -3.919 1.439 2.350 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -4.291 -1.578 2.521 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -4.845 -0.553 1.211 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -1.657 -1.292 3.045 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -3.536 -0.462 -0.685 1.00 0.00 H new ATOM 0 HE1 PHE A 128 0.490 -1.599 1.897 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -1.387 -0.765 -1.835 1.00 0.00 H new ATOM 0 HZ PHE A 128 0.630 -1.337 -0.546 1.00 0.00 H new ATOM 568 N ARG A 129 -6.379 1.366 2.925 1.00 0.00 N ATOM 569 CA ARG A 129 -7.742 1.524 3.420 1.00 0.00 C ATOM 570 C ARG A 129 -8.618 2.208 2.375 1.00 0.00 C ATOM 571 O ARG A 129 -8.249 3.244 1.821 1.00 0.00 O ATOM 572 CB ARG A 129 -7.755 2.324 4.725 1.00 0.00 C ATOM 573 CG ARG A 129 -7.096 3.683 4.616 1.00 0.00 C ATOM 574 CD ARG A 129 -7.176 4.445 5.929 1.00 0.00 C ATOM 575 NE ARG A 129 -6.620 3.679 7.045 1.00 0.00 N ATOM 576 CZ ARG A 129 -5.358 3.263 7.104 1.00 0.00 C ATOM 577 NH1 ARG A 129 -4.514 3.540 6.119 1.00 0.00 N ATOM 578 NH2 ARG A 129 -4.938 2.568 8.152 1.00 0.00 N ATOM 0 H ARG A 129 -6.182 1.880 2.066 1.00 0.00 H new ATOM 0 HA ARG A 129 -8.147 0.531 3.618 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -8.787 2.456 5.049 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -7.250 1.747 5.499 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -6.052 3.561 4.328 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -7.579 4.261 3.828 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -6.638 5.388 5.834 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -8.216 4.692 6.142 1.00 0.00 H new ATOM 0 HE ARG A 129 -7.237 3.450 7.824 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -4.832 4.075 5.311 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -3.547 3.218 6.170 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -5.583 2.353 8.913 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -3.970 2.249 8.198 1.00 0.00 H new ATOM 592 N CYS A 130 -9.774 1.611 2.104 1.00 0.00 N ATOM 593 CA CYS A 130 -10.700 2.151 1.116 1.00 0.00 C ATOM 594 C CYS A 130 -11.674 3.139 1.753 1.00 0.00 C ATOM 595 O CYS A 130 -12.008 3.026 2.933 1.00 0.00 O ATOM 596 CB CYS A 130 -11.471 1.019 0.435 1.00 0.00 C ATOM 597 SG CYS A 130 -12.431 1.555 -1.016 1.00 0.00 S ATOM 0 H CYS A 130 -10.092 0.753 2.555 1.00 0.00 H new ATOM 0 HA CYS A 130 -10.116 2.685 0.367 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -10.767 0.246 0.128 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -12.147 0.565 1.159 1.00 0.00 H new ATOM 602 N ASP A 131 -12.121 4.108 0.958 1.00 0.00 N ATOM 603 CA ASP A 131 -13.057 5.127 1.426 1.00 0.00 C ATOM 604 C ASP A 131 -14.287 4.495 2.076 1.00 0.00 C ATOM 605 O ASP A 131 -14.632 3.352 1.783 1.00 0.00 O ATOM 606 CB ASP A 131 -13.490 6.022 0.260 1.00 0.00 C ATOM 607 CG ASP A 131 -14.158 5.244 -0.860 1.00 0.00 C ATOM 608 OD1 ASP A 131 -14.252 4.004 -0.751 1.00 0.00 O ATOM 609 OD2 ASP A 131 -14.582 5.877 -1.849 1.00 0.00 O ATOM 0 H ASP A 131 -11.848 4.209 -0.020 1.00 0.00 H new ATOM 0 HA ASP A 131 -12.546 5.730 2.176 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -14.178 6.784 0.628 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -12.618 6.544 -0.135 1.00 0.00 H new ATOM 614 N PRO A 132 -14.969 5.240 2.970 1.00 0.00 N ATOM 615 CA PRO A 132 -16.168 4.751 3.657 1.00 0.00 C ATOM 616 C PRO A 132 -17.146 4.080 2.699 1.00 0.00 C ATOM 617 O PRO A 132 -17.088 4.302 1.489 1.00 0.00 O ATOM 618 CB PRO A 132 -16.777 6.023 4.244 1.00 0.00 C ATOM 619 CG PRO A 132 -15.610 6.920 4.477 1.00 0.00 C ATOM 620 CD PRO A 132 -14.627 6.619 3.376 1.00 0.00 C ATOM 0 HA PRO A 132 -15.935 3.991 4.403 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -17.494 6.474 3.557 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -17.311 5.816 5.172 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -15.912 7.967 4.454 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -15.167 6.737 5.456 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -14.729 7.318 2.546 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -13.598 6.690 3.728 1.00 0.00 H new ATOM 628 N ASP A 133 -18.028 3.245 3.251 1.00 0.00 N ATOM 629 CA ASP A 133 -19.017 2.514 2.458 1.00 0.00 C ATOM 630 C ASP A 133 -18.373 1.312 1.771 1.00 0.00 C ATOM 631 O ASP A 133 -18.982 0.247 1.668 1.00 0.00 O ATOM 632 CB ASP A 133 -19.681 3.426 1.420 1.00 0.00 C ATOM 633 CG ASP A 133 -20.387 4.609 2.053 1.00 0.00 C ATOM 634 OD1 ASP A 133 -20.371 4.718 3.297 1.00 0.00 O ATOM 635 OD2 ASP A 133 -20.960 5.429 1.303 1.00 0.00 O ATOM 0 H ASP A 133 -18.077 3.057 4.252 1.00 0.00 H new ATOM 0 HA ASP A 133 -19.790 2.157 3.139 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -18.925 3.788 0.723 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -20.399 2.847 0.839 1.00 0.00 H new ATOM 640 N PHE A 134 -17.134 1.482 1.315 1.00 0.00 N ATOM 641 CA PHE A 134 -16.410 0.401 0.656 1.00 0.00 C ATOM 642 C PHE A 134 -15.303 -0.118 1.569 1.00 0.00 C ATOM 643 O PHE A 134 -14.508 0.661 2.095 1.00 0.00 O ATOM 644 CB PHE A 134 -15.801 0.878 -0.666 1.00 0.00 C ATOM 645 CG PHE A 134 -16.767 1.602 -1.560 1.00 0.00 C ATOM 646 CD1 PHE A 134 -17.083 2.931 -1.327 1.00 0.00 C ATOM 647 CD2 PHE A 134 -17.347 0.960 -2.642 1.00 0.00 C ATOM 648 CE1 PHE A 134 -17.962 3.605 -2.153 1.00 0.00 C ATOM 649 CE2 PHE A 134 -18.227 1.628 -3.472 1.00 0.00 C ATOM 650 CZ PHE A 134 -18.535 2.952 -3.227 1.00 0.00 C ATOM 0 H PHE A 134 -16.613 2.356 1.390 1.00 0.00 H new ATOM 0 HA PHE A 134 -17.116 -0.402 0.445 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -14.960 1.536 -0.450 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -15.402 0.017 -1.202 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -16.637 3.446 -0.489 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -17.109 -0.075 -2.839 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -18.201 4.640 -1.959 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -18.673 1.115 -4.311 1.00 0.00 H new ATOM 0 HZ PHE A 134 -19.223 3.476 -3.874 1.00 0.00 H new ATOM 660 N HIS A 135 -15.262 -1.431 1.765 1.00 0.00 N ATOM 661 CA HIS A 135 -14.252 -2.036 2.628 1.00 0.00 C ATOM 662 C HIS A 135 -13.214 -2.812 1.820 1.00 0.00 C ATOM 663 O HIS A 135 -13.558 -3.594 0.932 1.00 0.00 O ATOM 664 CB HIS A 135 -14.915 -2.958 3.655 1.00 0.00 C ATOM 665 CG HIS A 135 -15.720 -4.064 3.045 1.00 0.00 C ATOM 666 ND1 HIS A 135 -16.788 -3.842 2.202 1.00 0.00 N ATOM 667 CD2 HIS A 135 -15.611 -5.408 3.167 1.00 0.00 C ATOM 668 CE1 HIS A 135 -17.302 -5.002 1.832 1.00 0.00 C ATOM 669 NE2 HIS A 135 -16.606 -5.967 2.402 1.00 0.00 N ATOM 0 H HIS A 135 -15.911 -2.094 1.342 1.00 0.00 H new ATOM 0 HA HIS A 135 -13.736 -1.230 3.149 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -14.144 -3.391 4.292 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -15.562 -2.363 4.299 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -14.879 -5.941 3.756 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -18.148 -5.137 1.175 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -16.779 -6.966 2.292 1.00 0.00 H new ATOM 678 N LEU A 136 -11.942 -2.592 2.144 1.00 0.00 N ATOM 679 CA LEU A 136 -10.845 -3.270 1.463 1.00 0.00 C ATOM 680 C LEU A 136 -10.810 -4.743 1.866 1.00 0.00 C ATOM 681 O LEU A 136 -10.994 -5.078 3.036 1.00 0.00 O ATOM 682 CB LEU A 136 -9.515 -2.581 1.794 1.00 0.00 C ATOM 683 CG LEU A 136 -8.282 -3.122 1.061 1.00 0.00 C ATOM 684 CD1 LEU A 136 -7.157 -2.099 1.098 1.00 0.00 C ATOM 685 CD2 LEU A 136 -7.816 -4.430 1.682 1.00 0.00 C ATOM 0 H LEU A 136 -11.646 -1.947 2.877 1.00 0.00 H new ATOM 0 HA LEU A 136 -11.002 -3.213 0.386 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -9.612 -1.519 1.568 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -9.342 -2.664 2.867 1.00 0.00 H new ATOM 0 HG LEU A 136 -8.557 -3.311 0.023 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -6.287 -2.495 0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -7.485 -1.180 0.613 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -6.891 -1.888 2.134 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -6.940 -4.796 1.146 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -7.558 -4.265 2.728 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -8.615 -5.168 1.617 1.00 0.00 H new ATOM 697 N VAL A 137 -10.591 -5.619 0.890 1.00 0.00 N ATOM 698 CA VAL A 137 -10.553 -7.053 1.150 1.00 0.00 C ATOM 699 C VAL A 137 -9.325 -7.710 0.523 1.00 0.00 C ATOM 700 O VAL A 137 -9.436 -8.422 -0.476 1.00 0.00 O ATOM 701 CB VAL A 137 -11.820 -7.746 0.611 1.00 0.00 C ATOM 702 CG1 VAL A 137 -11.823 -9.224 0.976 1.00 0.00 C ATOM 703 CG2 VAL A 137 -13.071 -7.059 1.137 1.00 0.00 C ATOM 0 H VAL A 137 -10.438 -5.361 -0.085 1.00 0.00 H new ATOM 0 HA VAL A 137 -10.502 -7.173 2.232 1.00 0.00 H new ATOM 0 HB VAL A 137 -11.817 -7.665 -0.476 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -12.726 -9.693 0.586 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -10.947 -9.707 0.544 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -11.798 -9.331 2.060 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -13.955 -7.563 0.745 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -13.080 -7.104 2.226 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -13.076 -6.017 0.817 1.00 0.00 H new ATOM 713 N GLY A 138 -8.152 -7.475 1.105 1.00 0.00 N ATOM 714 CA GLY A 138 -6.945 -8.069 0.568 1.00 0.00 C ATOM 715 C GLY A 138 -5.696 -7.650 1.312 1.00 0.00 C ATOM 716 O GLY A 138 -5.662 -7.668 2.541 1.00 0.00 O ATOM 0 H GLY A 138 -8.018 -6.890 1.930 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -7.035 -9.155 0.603 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -6.846 -7.791 -0.481 1.00 0.00 H new ATOM 720 N SER A 139 -4.668 -7.277 0.557 1.00 0.00 N ATOM 721 CA SER A 139 -3.402 -6.848 1.125 1.00 0.00 C ATOM 722 C SER A 139 -3.522 -5.453 1.732 1.00 0.00 C ATOM 723 O SER A 139 -2.874 -4.507 1.284 1.00 0.00 O ATOM 724 CB SER A 139 -2.326 -6.870 0.043 1.00 0.00 C ATOM 725 OG SER A 139 -2.719 -6.114 -1.085 1.00 0.00 O ATOM 0 H SER A 139 -4.692 -7.265 -0.463 1.00 0.00 H new ATOM 0 HA SER A 139 -3.123 -7.535 1.924 1.00 0.00 H new ATOM 0 HB2 SER A 139 -1.395 -6.471 0.445 1.00 0.00 H new ATOM 0 HB3 SER A 139 -2.129 -7.899 -0.257 1.00 0.00 H new ATOM 0 HG SER A 139 -1.991 -5.512 -1.345 1.00 0.00 H new ATOM 731 N SER A 140 -4.370 -5.338 2.746 1.00 0.00 N ATOM 732 CA SER A 140 -4.610 -4.079 3.426 1.00 0.00 C ATOM 733 C SER A 140 -3.316 -3.472 3.971 1.00 0.00 C ATOM 734 O SER A 140 -3.280 -2.295 4.327 1.00 0.00 O ATOM 735 CB SER A 140 -5.615 -4.302 4.552 1.00 0.00 C ATOM 736 OG SER A 140 -5.088 -5.163 5.545 1.00 0.00 O ATOM 0 H SER A 140 -4.910 -6.119 3.118 1.00 0.00 H new ATOM 0 HA SER A 140 -5.016 -3.369 2.706 1.00 0.00 H new ATOM 0 HB2 SER A 140 -5.881 -3.345 5.001 1.00 0.00 H new ATOM 0 HB3 SER A 140 -6.532 -4.729 4.146 1.00 0.00 H new ATOM 0 HG SER A 140 -5.751 -5.288 6.255 1.00 0.00 H new ATOM 742 N ARG A 141 -2.256 -4.273 4.033 1.00 0.00 N ATOM 743 CA ARG A 141 -0.967 -3.796 4.531 1.00 0.00 C ATOM 744 C ARG A 141 0.184 -4.372 3.708 1.00 0.00 C ATOM 745 O ARG A 141 0.147 -5.533 3.308 1.00 0.00 O ATOM 746 CB ARG A 141 -0.805 -4.135 6.020 1.00 0.00 C ATOM 747 CG ARG A 141 -1.015 -5.605 6.364 1.00 0.00 C ATOM 748 CD ARG A 141 0.213 -6.447 6.054 1.00 0.00 C ATOM 749 NE ARG A 141 0.038 -7.838 6.461 1.00 0.00 N ATOM 750 CZ ARG A 141 0.963 -8.778 6.298 1.00 0.00 C ATOM 751 NH1 ARG A 141 2.124 -8.479 5.731 1.00 0.00 N ATOM 752 NH2 ARG A 141 0.728 -10.019 6.700 1.00 0.00 N ATOM 0 H ARG A 141 -2.263 -5.252 3.746 1.00 0.00 H new ATOM 0 HA ARG A 141 -0.940 -2.711 4.425 1.00 0.00 H new ATOM 0 HB2 ARG A 141 0.195 -3.840 6.339 1.00 0.00 H new ATOM 0 HB3 ARG A 141 -1.512 -3.537 6.594 1.00 0.00 H new ATOM 0 HG2 ARG A 141 -1.260 -5.698 7.422 1.00 0.00 H new ATOM 0 HG3 ARG A 141 -1.868 -5.989 5.805 1.00 0.00 H new ATOM 0 HD2 ARG A 141 0.421 -6.405 4.985 1.00 0.00 H new ATOM 0 HD3 ARG A 141 1.080 -6.026 6.564 1.00 0.00 H new ATOM 0 HE ARG A 141 -0.846 -8.104 6.896 1.00 0.00 H new ATOM 0 HH11 ARG A 141 2.309 -7.526 5.419 1.00 0.00 H new ATOM 0 HH12 ARG A 141 2.832 -9.202 5.607 1.00 0.00 H new ATOM 0 HH21 ARG A 141 -0.164 -10.254 7.135 1.00 0.00 H new ATOM 0 HH22 ARG A 141 1.439 -10.739 6.574 1.00 0.00 H new ATOM 766 N SER A 142 1.199 -3.547 3.443 1.00 0.00 N ATOM 767 CA SER A 142 2.352 -3.979 2.650 1.00 0.00 C ATOM 768 C SER A 142 3.662 -3.499 3.270 1.00 0.00 C ATOM 769 O SER A 142 3.712 -2.444 3.902 1.00 0.00 O ATOM 770 CB SER A 142 2.239 -3.454 1.219 1.00 0.00 C ATOM 771 OG SER A 142 1.070 -3.941 0.585 1.00 0.00 O ATOM 0 H SER A 142 1.246 -2.580 3.764 1.00 0.00 H new ATOM 0 HA SER A 142 2.356 -5.069 2.637 1.00 0.00 H new ATOM 0 HB2 SER A 142 2.223 -2.364 1.229 1.00 0.00 H new ATOM 0 HB3 SER A 142 3.118 -3.755 0.648 1.00 0.00 H new ATOM 0 HG SER A 142 0.835 -4.815 0.960 1.00 0.00 H new ATOM 777 N VAL A 143 4.720 -4.284 3.082 1.00 0.00 N ATOM 778 CA VAL A 143 6.033 -3.944 3.619 1.00 0.00 C ATOM 779 C VAL A 143 7.149 -4.348 2.658 1.00 0.00 C ATOM 780 O VAL A 143 7.194 -5.482 2.180 1.00 0.00 O ATOM 781 CB VAL A 143 6.271 -4.625 4.981 1.00 0.00 C ATOM 782 CG1 VAL A 143 6.091 -6.131 4.865 1.00 0.00 C ATOM 783 CG2 VAL A 143 7.655 -4.288 5.516 1.00 0.00 C ATOM 0 H VAL A 143 4.693 -5.161 2.561 1.00 0.00 H new ATOM 0 HA VAL A 143 6.050 -2.862 3.750 1.00 0.00 H new ATOM 0 HB VAL A 143 5.532 -4.246 5.687 1.00 0.00 H new ATOM 0 HG11 VAL A 143 6.263 -6.594 5.837 1.00 0.00 H new ATOM 0 HG12 VAL A 143 5.077 -6.352 4.533 1.00 0.00 H new ATOM 0 HG13 VAL A 143 6.804 -6.528 4.143 1.00 0.00 H new ATOM 0 HG21 VAL A 143 7.803 -4.779 6.478 1.00 0.00 H new ATOM 0 HG22 VAL A 143 8.412 -4.635 4.812 1.00 0.00 H new ATOM 0 HG23 VAL A 143 7.744 -3.209 5.642 1.00 0.00 H new ATOM 793 N CYS A 144 8.048 -3.409 2.380 1.00 0.00 N ATOM 794 CA CYS A 144 9.168 -3.658 1.480 1.00 0.00 C ATOM 795 C CYS A 144 10.241 -4.510 2.146 1.00 0.00 C ATOM 796 O CYS A 144 10.154 -4.827 3.334 1.00 0.00 O ATOM 797 CB CYS A 144 9.774 -2.338 1.004 1.00 0.00 C ATOM 798 SG CYS A 144 8.701 -1.391 -0.122 1.00 0.00 S ATOM 0 H CYS A 144 8.022 -2.466 2.767 1.00 0.00 H new ATOM 0 HA CYS A 144 8.783 -4.207 0.621 1.00 0.00 H new ATOM 0 HB2 CYS A 144 10.004 -1.722 1.873 1.00 0.00 H new ATOM 0 HB3 CYS A 144 10.718 -2.545 0.501 1.00 0.00 H new ATOM 803 N SER A 145 11.253 -4.876 1.366 1.00 0.00 N ATOM 804 CA SER A 145 12.356 -5.691 1.858 1.00 0.00 C ATOM 805 C SER A 145 13.454 -5.791 0.807 1.00 0.00 C ATOM 806 O SER A 145 14.637 -5.902 1.132 1.00 0.00 O ATOM 807 CB SER A 145 11.860 -7.088 2.240 1.00 0.00 C ATOM 808 OG SER A 145 12.931 -7.917 2.655 1.00 0.00 O ATOM 0 H SER A 145 11.331 -4.618 0.382 1.00 0.00 H new ATOM 0 HA SER A 145 12.767 -5.213 2.747 1.00 0.00 H new ATOM 0 HB2 SER A 145 11.126 -7.009 3.042 1.00 0.00 H new ATOM 0 HB3 SER A 145 11.354 -7.542 1.388 1.00 0.00 H new ATOM 0 HG SER A 145 12.586 -8.802 2.894 1.00 0.00 H new ATOM 814 N GLN A 146 13.047 -5.742 -0.455 1.00 0.00 N ATOM 815 CA GLN A 146 13.977 -5.817 -1.579 1.00 0.00 C ATOM 816 C GLN A 146 13.427 -5.055 -2.783 1.00 0.00 C ATOM 817 O GLN A 146 13.389 -5.577 -3.897 1.00 0.00 O ATOM 818 CB GLN A 146 14.239 -7.276 -1.965 1.00 0.00 C ATOM 819 CG GLN A 146 14.959 -8.078 -0.893 1.00 0.00 C ATOM 820 CD GLN A 146 15.198 -9.517 -1.305 1.00 0.00 C ATOM 821 OE1 GLN A 146 14.254 -10.268 -1.555 1.00 0.00 O ATOM 822 NE2 GLN A 146 16.464 -9.909 -1.382 1.00 0.00 N ATOM 0 H GLN A 146 12.069 -5.650 -0.729 1.00 0.00 H new ATOM 0 HA GLN A 146 14.917 -5.359 -1.271 1.00 0.00 H new ATOM 0 HB2 GLN A 146 13.288 -7.759 -2.188 1.00 0.00 H new ATOM 0 HB3 GLN A 146 14.830 -7.299 -2.880 1.00 0.00 H new ATOM 0 HG2 GLN A 146 15.915 -7.604 -0.670 1.00 0.00 H new ATOM 0 HG3 GLN A 146 14.372 -8.059 0.025 1.00 0.00 H new ATOM 0 HE21 GLN A 146 17.215 -9.253 -1.166 1.00 0.00 H new ATOM 0 HE22 GLN A 146 16.686 -10.866 -1.657 1.00 0.00 H new ATOM 831 N GLY A 147 12.996 -3.820 -2.545 1.00 0.00 N ATOM 832 CA GLY A 147 12.444 -3.004 -3.613 1.00 0.00 C ATOM 833 C GLY A 147 11.146 -3.569 -4.155 1.00 0.00 C ATOM 834 O GLY A 147 10.727 -3.229 -5.262 1.00 0.00 O ATOM 0 H GLY A 147 13.019 -3.369 -1.631 1.00 0.00 H new ATOM 0 HA2 GLY A 147 12.272 -1.993 -3.243 1.00 0.00 H new ATOM 0 HA3 GLY A 147 13.171 -2.928 -4.422 1.00 0.00 H new ATOM 838 N GLN A 148 10.510 -4.431 -3.369 1.00 0.00 N ATOM 839 CA GLN A 148 9.248 -5.047 -3.764 1.00 0.00 C ATOM 840 C GLN A 148 8.319 -5.194 -2.562 1.00 0.00 C ATOM 841 O GLN A 148 8.733 -5.673 -1.506 1.00 0.00 O ATOM 842 CB GLN A 148 9.503 -6.416 -4.396 1.00 0.00 C ATOM 843 CG GLN A 148 8.241 -7.113 -4.876 1.00 0.00 C ATOM 844 CD GLN A 148 8.520 -8.475 -5.481 1.00 0.00 C ATOM 845 OE1 GLN A 148 9.039 -9.369 -4.813 1.00 0.00 O ATOM 846 NE2 GLN A 148 8.179 -8.638 -6.754 1.00 0.00 N ATOM 0 H GLN A 148 10.849 -4.720 -2.451 1.00 0.00 H new ATOM 0 HA GLN A 148 8.767 -4.400 -4.497 1.00 0.00 H new ATOM 0 HB2 GLN A 148 10.184 -6.296 -5.239 1.00 0.00 H new ATOM 0 HB3 GLN A 148 10.005 -7.054 -3.669 1.00 0.00 H new ATOM 0 HG2 GLN A 148 7.552 -7.226 -4.039 1.00 0.00 H new ATOM 0 HG3 GLN A 148 7.743 -6.486 -5.616 1.00 0.00 H new ATOM 0 HE21 GLN A 148 7.751 -7.869 -7.270 1.00 0.00 H new ATOM 0 HE22 GLN A 148 8.345 -9.532 -7.216 1.00 0.00 H new ATOM 855 N TRP A 149 7.063 -4.786 -2.724 1.00 0.00 N ATOM 856 CA TRP A 149 6.089 -4.887 -1.642 1.00 0.00 C ATOM 857 C TRP A 149 5.813 -6.344 -1.292 1.00 0.00 C ATOM 858 O TRP A 149 5.635 -7.180 -2.179 1.00 0.00 O ATOM 859 CB TRP A 149 4.778 -4.193 -2.017 1.00 0.00 C ATOM 860 CG TRP A 149 4.911 -2.714 -2.203 1.00 0.00 C ATOM 861 CD1 TRP A 149 4.879 -2.028 -3.382 1.00 0.00 C ATOM 862 CD2 TRP A 149 5.110 -1.739 -1.174 1.00 0.00 C ATOM 863 NE1 TRP A 149 5.034 -0.683 -3.148 1.00 0.00 N ATOM 864 CE2 TRP A 149 5.180 -0.481 -1.800 1.00 0.00 C ATOM 865 CE3 TRP A 149 5.232 -1.807 0.216 1.00 0.00 C ATOM 866 CZ2 TRP A 149 5.366 0.698 -1.084 1.00 0.00 C ATOM 867 CZ3 TRP A 149 5.419 -0.636 0.926 1.00 0.00 C ATOM 868 CH2 TRP A 149 5.483 0.602 0.274 1.00 0.00 C ATOM 0 H TRP A 149 6.698 -4.385 -3.588 1.00 0.00 H new ATOM 0 HA TRP A 149 6.515 -4.388 -0.771 1.00 0.00 H new ATOM 0 HB2 TRP A 149 4.395 -4.633 -2.938 1.00 0.00 H new ATOM 0 HB3 TRP A 149 4.039 -4.387 -1.240 1.00 0.00 H new ATOM 0 HD1 TRP A 149 4.751 -2.476 -4.356 1.00 0.00 H new ATOM 0 HE1 TRP A 149 5.040 0.046 -3.861 1.00 0.00 H new ATOM 0 HE3 TRP A 149 5.181 -2.757 0.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 5.416 1.654 -1.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 5.517 -0.676 2.001 1.00 0.00 H new ATOM 0 HH2 TRP A 149 5.628 1.500 0.857 1.00 0.00 H new ATOM 879 N SER A 150 5.771 -6.641 0.004 1.00 0.00 N ATOM 880 CA SER A 150 5.508 -7.999 0.465 1.00 0.00 C ATOM 881 C SER A 150 4.175 -8.498 -0.079 1.00 0.00 C ATOM 882 O SER A 150 4.101 -9.566 -0.688 1.00 0.00 O ATOM 883 CB SER A 150 5.499 -8.051 1.994 1.00 0.00 C ATOM 884 OG SER A 150 5.242 -9.364 2.460 1.00 0.00 O ATOM 0 H SER A 150 5.915 -5.961 0.751 1.00 0.00 H new ATOM 0 HA SER A 150 6.303 -8.646 0.095 1.00 0.00 H new ATOM 0 HB2 SER A 150 6.460 -7.707 2.378 1.00 0.00 H new ATOM 0 HB3 SER A 150 4.740 -7.370 2.379 1.00 0.00 H new ATOM 0 HG SER A 150 5.243 -9.369 3.440 1.00 0.00 H new ATOM 890 N THR A 151 3.124 -7.713 0.139 1.00 0.00 N ATOM 891 CA THR A 151 1.792 -8.067 -0.335 1.00 0.00 C ATOM 892 C THR A 151 1.411 -7.241 -1.563 1.00 0.00 C ATOM 893 O THR A 151 1.803 -6.080 -1.680 1.00 0.00 O ATOM 894 CB THR A 151 0.737 -7.854 0.761 1.00 0.00 C ATOM 895 OG1 THR A 151 0.695 -6.473 1.130 1.00 0.00 O ATOM 896 CG2 THR A 151 1.048 -8.703 1.985 1.00 0.00 C ATOM 0 H THR A 151 3.170 -6.827 0.642 1.00 0.00 H new ATOM 0 HA THR A 151 1.817 -9.123 -0.604 1.00 0.00 H new ATOM 0 HB THR A 151 -0.234 -8.157 0.368 1.00 0.00 H new ATOM 0 HG1 THR A 151 0.166 -6.369 1.948 1.00 0.00 H new ATOM 0 HG21 THR A 151 0.287 -8.535 2.747 1.00 0.00 H new ATOM 0 HG22 THR A 151 1.055 -9.756 1.705 1.00 0.00 H new ATOM 0 HG23 THR A 151 2.025 -8.427 2.381 1.00 0.00 H new ATOM 904 N PRO A 152 0.645 -7.830 -2.499 1.00 0.00 N ATOM 905 CA PRO A 152 0.217 -7.138 -3.723 1.00 0.00 C ATOM 906 C PRO A 152 -0.689 -5.943 -3.439 1.00 0.00 C ATOM 907 O PRO A 152 -0.611 -5.325 -2.377 1.00 0.00 O ATOM 908 CB PRO A 152 -0.549 -8.216 -4.499 1.00 0.00 C ATOM 909 CG PRO A 152 -0.957 -9.214 -3.471 1.00 0.00 C ATOM 910 CD PRO A 152 0.135 -9.211 -2.441 1.00 0.00 C ATOM 0 HA PRO A 152 1.066 -6.724 -4.266 1.00 0.00 H new ATOM 0 HB2 PRO A 152 -1.417 -7.795 -5.007 1.00 0.00 H new ATOM 0 HB3 PRO A 152 0.078 -8.672 -5.265 1.00 0.00 H new ATOM 0 HG2 PRO A 152 -1.915 -8.947 -3.026 1.00 0.00 H new ATOM 0 HG3 PRO A 152 -1.075 -10.204 -3.912 1.00 0.00 H new ATOM 0 HD2 PRO A 152 -0.245 -9.459 -1.450 1.00 0.00 H new ATOM 0 HD3 PRO A 152 0.912 -9.938 -2.676 1.00 0.00 H new ATOM 918 N LYS A 153 -1.544 -5.623 -4.404 1.00 0.00 N ATOM 919 CA LYS A 153 -2.469 -4.501 -4.277 1.00 0.00 C ATOM 920 C LYS A 153 -3.913 -4.985 -4.427 1.00 0.00 C ATOM 921 O LYS A 153 -4.264 -5.606 -5.430 1.00 0.00 O ATOM 922 CB LYS A 153 -2.140 -3.446 -5.338 1.00 0.00 C ATOM 923 CG LYS A 153 -2.998 -2.191 -5.270 1.00 0.00 C ATOM 924 CD LYS A 153 -2.828 -1.453 -3.953 1.00 0.00 C ATOM 925 CE LYS A 153 -3.592 -0.139 -3.959 1.00 0.00 C ATOM 926 NZ LYS A 153 -3.418 0.616 -2.689 1.00 0.00 N ATOM 0 H LYS A 153 -1.616 -6.127 -5.288 1.00 0.00 H new ATOM 0 HA LYS A 153 -2.362 -4.055 -3.288 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -1.093 -3.161 -5.235 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -2.253 -3.895 -6.325 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -2.735 -1.527 -6.094 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -4.046 -2.461 -5.401 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -3.182 -2.079 -3.134 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -1.770 -1.261 -3.774 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -3.252 0.474 -4.794 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -4.652 -0.337 -4.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -4.351 0.829 -2.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -2.869 0.043 -2.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -2.912 1.504 -2.880 1.00 0.00 H new ATOM 940 N PRO A 154 -4.771 -4.717 -3.422 1.00 0.00 N ATOM 941 CA PRO A 154 -6.171 -5.143 -3.444 1.00 0.00 C ATOM 942 C PRO A 154 -7.086 -4.165 -4.176 1.00 0.00 C ATOM 943 O PRO A 154 -6.678 -3.517 -5.141 1.00 0.00 O ATOM 944 CB PRO A 154 -6.518 -5.194 -1.959 1.00 0.00 C ATOM 945 CG PRO A 154 -5.696 -4.111 -1.345 1.00 0.00 C ATOM 946 CD PRO A 154 -4.442 -3.994 -2.178 1.00 0.00 C ATOM 0 HA PRO A 154 -6.307 -6.084 -3.977 1.00 0.00 H new ATOM 0 HB2 PRO A 154 -7.582 -5.026 -1.794 1.00 0.00 H new ATOM 0 HB3 PRO A 154 -6.278 -6.166 -1.529 1.00 0.00 H new ATOM 0 HG2 PRO A 154 -6.243 -3.168 -1.335 1.00 0.00 H new ATOM 0 HG3 PRO A 154 -5.452 -4.350 -0.310 1.00 0.00 H new ATOM 0 HD2 PRO A 154 -4.190 -2.952 -2.376 1.00 0.00 H new ATOM 0 HD3 PRO A 154 -3.584 -4.438 -1.673 1.00 0.00 H new ATOM 954 N HIS A 155 -8.329 -4.064 -3.706 1.00 0.00 N ATOM 955 CA HIS A 155 -9.310 -3.168 -4.308 1.00 0.00 C ATOM 956 C HIS A 155 -10.360 -2.746 -3.287 1.00 0.00 C ATOM 957 O HIS A 155 -10.078 -2.650 -2.092 1.00 0.00 O ATOM 958 CB HIS A 155 -9.980 -3.851 -5.504 1.00 0.00 C ATOM 959 CG HIS A 155 -10.660 -5.138 -5.155 1.00 0.00 C ATOM 960 ND1 HIS A 155 -9.988 -6.231 -4.651 1.00 0.00 N ATOM 961 CD2 HIS A 155 -11.961 -5.505 -5.239 1.00 0.00 C ATOM 962 CE1 HIS A 155 -10.845 -7.215 -4.440 1.00 0.00 C ATOM 963 NE2 HIS A 155 -12.048 -6.799 -4.788 1.00 0.00 N ATOM 0 H HIS A 155 -8.679 -4.594 -2.908 1.00 0.00 H new ATOM 0 HA HIS A 155 -8.792 -2.273 -4.653 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -10.711 -3.169 -5.938 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -9.229 -4.043 -6.270 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -12.778 -4.894 -5.594 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -10.602 -8.192 -4.050 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -12.905 -7.350 -4.731 1.00 0.00 H new ATOM 972 N CYS A 156 -11.570 -2.499 -3.768 1.00 0.00 N ATOM 973 CA CYS A 156 -12.673 -2.089 -2.906 1.00 0.00 C ATOM 974 C CYS A 156 -13.935 -2.887 -3.212 1.00 0.00 C ATOM 975 O CYS A 156 -14.300 -3.069 -4.375 1.00 0.00 O ATOM 976 CB CYS A 156 -12.966 -0.598 -3.078 1.00 0.00 C ATOM 977 SG CYS A 156 -11.615 0.506 -2.552 1.00 0.00 S ATOM 0 H CYS A 156 -11.815 -2.575 -4.755 1.00 0.00 H new ATOM 0 HA CYS A 156 -12.373 -2.283 -1.876 1.00 0.00 H new ATOM 0 HB2 CYS A 156 -13.189 -0.404 -4.127 1.00 0.00 H new ATOM 0 HB3 CYS A 156 -13.863 -0.349 -2.510 1.00 0.00 H new ATOM 982 N GLN A 157 -14.604 -3.352 -2.161 1.00 0.00 N ATOM 983 CA GLN A 157 -15.832 -4.120 -2.319 1.00 0.00 C ATOM 984 C GLN A 157 -17.009 -3.379 -1.691 1.00 0.00 C ATOM 985 O GLN A 157 -16.933 -2.937 -0.544 1.00 0.00 O ATOM 986 CB GLN A 157 -15.685 -5.503 -1.682 1.00 0.00 C ATOM 987 CG GLN A 157 -16.922 -6.376 -1.829 1.00 0.00 C ATOM 988 CD GLN A 157 -16.757 -7.753 -1.210 1.00 0.00 C ATOM 989 OE1 GLN A 157 -15.584 -8.018 -0.641 1.00 0.00 O flip ATOM 990 NE2 GLN A 157 -17.675 -8.571 -1.243 1.00 0.00 N flip ATOM 0 H GLN A 157 -14.316 -3.210 -1.193 1.00 0.00 H new ATOM 0 HA GLN A 157 -16.023 -4.244 -3.385 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -14.835 -6.013 -2.134 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -15.459 -5.384 -0.622 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -17.771 -5.874 -1.364 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -17.158 -6.486 -2.887 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -18.559 -8.328 -1.689 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -17.552 -9.493 -0.824 1.00 0.00 H new ATOM 999 N VAL A 158 -18.091 -3.244 -2.449 1.00 0.00 N ATOM 1000 CA VAL A 158 -19.281 -2.553 -1.967 1.00 0.00 C ATOM 1001 C VAL A 158 -19.877 -3.264 -0.756 1.00 0.00 C ATOM 1002 O VAL A 158 -19.953 -4.493 -0.720 1.00 0.00 O ATOM 1003 CB VAL A 158 -20.351 -2.439 -3.071 1.00 0.00 C ATOM 1004 CG1 VAL A 158 -20.768 -3.817 -3.563 1.00 0.00 C ATOM 1005 CG2 VAL A 158 -21.554 -1.652 -2.571 1.00 0.00 C ATOM 0 H VAL A 158 -18.169 -3.604 -3.400 1.00 0.00 H new ATOM 0 HA VAL A 158 -18.970 -1.550 -1.674 1.00 0.00 H new ATOM 0 HB VAL A 158 -19.918 -1.899 -3.913 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -21.524 -3.712 -4.342 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -19.900 -4.337 -3.968 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -21.180 -4.391 -2.733 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -22.298 -1.582 -3.364 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -21.988 -2.159 -1.710 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -21.238 -0.650 -2.281 1.00 0.00 H new ATOM 1015 N ASN A 159 -20.294 -2.484 0.236 1.00 0.00 N ATOM 1016 CA ASN A 159 -20.880 -3.039 1.451 1.00 0.00 C ATOM 1017 C ASN A 159 -22.118 -3.871 1.129 1.00 0.00 C ATOM 1018 O ASN A 159 -22.749 -3.613 0.083 1.00 0.00 O ATOM 1019 CB ASN A 159 -21.242 -1.917 2.428 1.00 0.00 C ATOM 1020 CG ASN A 159 -22.257 -0.948 1.852 1.00 0.00 C ATOM 1021 OD1 ASN A 159 -23.373 -1.332 1.505 1.00 0.00 O ATOM 1022 ND2 ASN A 159 -21.871 0.319 1.748 1.00 0.00 N ATOM 1023 OXT ASN A 159 -22.445 -4.774 1.927 1.00 0.00 O ATOM 0 H ASN A 159 -20.237 -1.466 0.222 1.00 0.00 H new ATOM 0 HA ASN A 159 -20.140 -3.690 1.916 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -21.640 -2.352 3.344 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -20.338 -1.372 2.701 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -22.510 1.017 1.368 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -20.936 0.593 2.048 1.00 0.00 H new