USER MOD reduce.3.24.130724 H: found=0, std=0, add=346, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 339 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 177 SER OG : rot 180:sc= -0.305 USER MOD Set 1.2: A 178 THR OG1 : rot 180:sc= 0.0105 USER MOD Set 2.1: A 139 HIS : no HD1:sc= -1.68 K(o=-2,f=-4.6) USER MOD Set 2.2: A 165 CYS SG : rot 152:sc= -0.495 USER MOD Set 2.3: A 167 THR OG1 : rot 68:sc= 0.161 USER MOD Set 2.4: A 168 CYS SG : rot -57:sc= -0.0113 USER MOD Set 3.1: A 145 THR OG1 : rot 180:sc= -1.48 USER MOD Set 3.2: A 161 ASN : amide:sc= -3.89 K(o=-5.4,f=-3.2) USER MOD Set 4.1: A 152 CYS SG : rot 5:sc= -2.7 USER MOD Set 4.2: A 155 CYS SG : rot 143:sc= -0.371! USER MOD Set 4.3: A 173 HIS : no HD1:sc= -6.3! C(o=-14!,f=-17!) USER MOD Set 4.4: A 176 CYS SG : rot 169:sc= -4.74! USER MOD Single : A 140 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 170 TYR OH : rot 180:sc= 0 USER MOD Single : A 171 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 175 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 179 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.321) USER MOD ----------------------------------------------------------------- ATOM 50 N HIS A 139 0.207 -11.114 -0.467 1.00 0.00 N ATOM 51 CA HIS A 139 0.285 -9.619 -0.586 1.00 0.00 C ATOM 52 C HIS A 139 1.708 -9.193 -0.206 1.00 0.00 C ATOM 53 O HIS A 139 2.547 -10.020 0.098 1.00 0.00 O ATOM 54 CB HIS A 139 -0.717 -8.933 0.364 1.00 0.00 C ATOM 55 CG HIS A 139 -1.526 -7.870 -0.361 1.00 0.00 C ATOM 56 ND1 HIS A 139 -1.289 -7.465 -1.705 1.00 0.00 N ATOM 57 CD2 HIS A 139 -2.574 -7.101 0.076 1.00 0.00 C ATOM 58 CE1 HIS A 139 -2.194 -6.502 -1.968 1.00 0.00 C ATOM 59 NE2 HIS A 139 -2.984 -6.257 -0.919 1.00 0.00 N ATOM 0 HA HIS A 139 0.040 -9.324 -1.606 1.00 0.00 H new ATOM 0 HB2 HIS A 139 -1.389 -9.679 0.787 1.00 0.00 H new ATOM 0 HB3 HIS A 139 -0.180 -8.479 1.197 1.00 0.00 H new ATOM 0 HD2 HIS A 139 -3.012 -7.154 1.062 1.00 0.00 H new ATOM 0 HE1 HIS A 139 -2.272 -5.989 -2.915 1.00 0.00 H new ATOM 0 HE2 HIS A 139 -3.742 -5.576 -0.870 1.00 0.00 H new ATOM 67 N ASN A 140 1.981 -7.917 -0.211 1.00 0.00 N ATOM 68 CA ASN A 140 3.344 -7.434 0.157 1.00 0.00 C ATOM 69 C ASN A 140 3.265 -5.966 0.573 1.00 0.00 C ATOM 70 O ASN A 140 2.648 -5.160 -0.100 1.00 0.00 O ATOM 71 CB ASN A 140 4.285 -7.578 -1.039 1.00 0.00 C ATOM 72 CG ASN A 140 5.718 -7.773 -0.543 1.00 0.00 C ATOM 73 OD1 ASN A 140 6.188 -8.887 -0.430 1.00 0.00 O ATOM 74 ND2 ASN A 140 6.439 -6.729 -0.243 1.00 0.00 N ATOM 0 H ASN A 140 1.315 -7.184 -0.455 1.00 0.00 H new ATOM 0 HA ASN A 140 3.727 -8.029 0.986 1.00 0.00 H new ATOM 0 HB2 ASN A 140 3.983 -8.427 -1.652 1.00 0.00 H new ATOM 0 HB3 ASN A 140 4.225 -6.692 -1.670 1.00 0.00 H new ATOM 0 HD21 ASN A 140 7.397 -6.848 0.086 1.00 0.00 H new ATOM 0 HD22 ASN A 140 6.045 -5.793 -0.338 1.00 0.00 H new ATOM 81 N PHE A 141 3.882 -5.611 1.668 1.00 0.00 N ATOM 82 CA PHE A 141 3.841 -4.191 2.119 1.00 0.00 C ATOM 83 C PHE A 141 5.215 -3.775 2.642 1.00 0.00 C ATOM 84 O PHE A 141 5.583 -4.077 3.762 1.00 0.00 O ATOM 85 CB PHE A 141 2.797 -4.033 3.230 1.00 0.00 C ATOM 86 CG PHE A 141 1.412 -4.293 2.675 1.00 0.00 C ATOM 87 CD1 PHE A 141 0.993 -3.661 1.496 1.00 0.00 C ATOM 88 CD2 PHE A 141 0.544 -5.167 3.344 1.00 0.00 C ATOM 89 CE1 PHE A 141 -0.288 -3.902 0.988 1.00 0.00 C ATOM 90 CE2 PHE A 141 -0.738 -5.408 2.834 1.00 0.00 C ATOM 91 CZ PHE A 141 -1.154 -4.775 1.657 1.00 0.00 C ATOM 0 H PHE A 141 4.412 -6.242 2.269 1.00 0.00 H new ATOM 0 HA PHE A 141 3.570 -3.555 1.276 1.00 0.00 H new ATOM 0 HB2 PHE A 141 3.009 -4.728 4.042 1.00 0.00 H new ATOM 0 HB3 PHE A 141 2.848 -3.028 3.649 1.00 0.00 H new ATOM 0 HD1 PHE A 141 1.660 -2.987 0.979 1.00 0.00 H new ATOM 0 HD2 PHE A 141 0.864 -5.655 4.253 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -0.609 -3.414 0.079 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -1.406 -6.083 3.349 1.00 0.00 H new ATOM 0 HZ PHE A 141 -2.143 -4.960 1.265 1.00 0.00 H new ATOM 101 N ALA A 142 5.972 -3.080 1.834 1.00 0.00 N ATOM 102 CA ALA A 142 7.326 -2.628 2.265 1.00 0.00 C ATOM 103 C ALA A 142 7.419 -1.111 2.095 1.00 0.00 C ATOM 104 O ALA A 142 7.380 -0.602 0.990 1.00 0.00 O ATOM 105 CB ALA A 142 8.390 -3.308 1.403 1.00 0.00 C ATOM 0 H ALA A 142 5.708 -2.805 0.888 1.00 0.00 H new ATOM 0 HA ALA A 142 7.490 -2.892 3.310 1.00 0.00 H new ATOM 0 HB1 ALA A 142 9.380 -2.977 1.718 1.00 0.00 H new ATOM 0 HB2 ALA A 142 8.315 -4.389 1.518 1.00 0.00 H new ATOM 0 HB3 ALA A 142 8.235 -3.043 0.357 1.00 0.00 H new ATOM 111 N ARG A 143 7.534 -0.384 3.179 1.00 0.00 N ATOM 112 CA ARG A 143 7.620 1.107 3.085 1.00 0.00 C ATOM 113 C ARG A 143 8.822 1.506 2.227 1.00 0.00 C ATOM 114 O ARG A 143 9.945 1.548 2.693 1.00 0.00 O ATOM 115 CB ARG A 143 7.768 1.720 4.486 1.00 0.00 C ATOM 116 CG ARG A 143 8.817 0.952 5.294 1.00 0.00 C ATOM 117 CD ARG A 143 9.542 1.917 6.234 1.00 0.00 C ATOM 118 NE ARG A 143 8.606 2.367 7.303 1.00 0.00 N ATOM 119 CZ ARG A 143 9.045 2.553 8.517 1.00 0.00 C ATOM 120 NH1 ARG A 143 9.520 3.716 8.869 1.00 0.00 N ATOM 121 NH2 ARG A 143 9.009 1.574 9.380 1.00 0.00 N ATOM 0 H ARG A 143 7.572 -0.759 4.127 1.00 0.00 H new ATOM 0 HA ARG A 143 6.705 1.481 2.626 1.00 0.00 H new ATOM 0 HB2 ARG A 143 8.058 2.767 4.403 1.00 0.00 H new ATOM 0 HB3 ARG A 143 6.810 1.695 5.005 1.00 0.00 H new ATOM 0 HG2 ARG A 143 8.340 0.158 5.868 1.00 0.00 H new ATOM 0 HG3 ARG A 143 9.531 0.475 4.623 1.00 0.00 H new ATOM 0 HD2 ARG A 143 10.409 1.427 6.677 1.00 0.00 H new ATOM 0 HD3 ARG A 143 9.913 2.776 5.675 1.00 0.00 H new ATOM 0 HE ARG A 143 7.623 2.529 7.085 1.00 0.00 H new ATOM 0 HH11 ARG A 143 9.548 4.481 8.195 1.00 0.00 H new ATOM 0 HH12 ARG A 143 9.863 3.861 9.819 1.00 0.00 H new ATOM 0 HH21 ARG A 143 8.638 0.665 9.105 1.00 0.00 H new ATOM 0 HH22 ARG A 143 9.352 1.718 10.330 1.00 0.00 H new ATOM 135 N LYS A 144 8.585 1.805 0.978 1.00 0.00 N ATOM 136 CA LYS A 144 9.696 2.212 0.072 1.00 0.00 C ATOM 137 C LYS A 144 9.237 3.406 -0.763 1.00 0.00 C ATOM 138 O LYS A 144 8.115 3.445 -1.235 1.00 0.00 O ATOM 139 CB LYS A 144 10.057 1.048 -0.855 1.00 0.00 C ATOM 140 CG LYS A 144 8.797 0.549 -1.581 1.00 0.00 C ATOM 141 CD LYS A 144 8.955 0.751 -3.092 1.00 0.00 C ATOM 142 CE LYS A 144 10.027 -0.201 -3.627 1.00 0.00 C ATOM 143 NZ LYS A 144 9.660 -0.634 -5.004 1.00 0.00 N ATOM 0 H LYS A 144 7.662 1.784 0.544 1.00 0.00 H new ATOM 0 HA LYS A 144 10.572 2.484 0.660 1.00 0.00 H new ATOM 0 HB2 LYS A 144 10.804 1.368 -1.582 1.00 0.00 H new ATOM 0 HB3 LYS A 144 10.501 0.236 -0.279 1.00 0.00 H new ATOM 0 HG2 LYS A 144 8.633 -0.506 -1.361 1.00 0.00 H new ATOM 0 HG3 LYS A 144 7.921 1.089 -1.222 1.00 0.00 H new ATOM 0 HD2 LYS A 144 8.006 0.566 -3.595 1.00 0.00 H new ATOM 0 HD3 LYS A 144 9.232 1.784 -3.304 1.00 0.00 H new ATOM 0 HE2 LYS A 144 10.998 0.295 -3.636 1.00 0.00 H new ATOM 0 HE3 LYS A 144 10.118 -1.068 -2.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 10.387 -1.281 -5.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 8.742 -1.122 -4.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 9.594 0.199 -5.624 1.00 0.00 H new ATOM 157 N THR A 145 10.089 4.381 -0.945 1.00 0.00 N ATOM 158 CA THR A 145 9.694 5.577 -1.744 1.00 0.00 C ATOM 159 C THR A 145 9.806 5.246 -3.233 1.00 0.00 C ATOM 160 O THR A 145 10.388 4.247 -3.613 1.00 0.00 O ATOM 161 CB THR A 145 10.622 6.748 -1.410 1.00 0.00 C ATOM 162 OG1 THR A 145 10.784 6.836 -0.001 1.00 0.00 O ATOM 163 CG2 THR A 145 10.018 8.049 -1.940 1.00 0.00 C ATOM 0 H THR A 145 11.039 4.400 -0.575 1.00 0.00 H new ATOM 0 HA THR A 145 8.667 5.853 -1.505 1.00 0.00 H new ATOM 0 HB THR A 145 11.593 6.586 -1.877 1.00 0.00 H new ATOM 0 HG1 THR A 145 11.379 7.585 0.214 1.00 0.00 H new ATOM 0 HG21 THR A 145 10.680 8.881 -1.701 1.00 0.00 H new ATOM 0 HG22 THR A 145 9.897 7.980 -3.021 1.00 0.00 H new ATOM 0 HG23 THR A 145 9.046 8.214 -1.476 1.00 0.00 H new ATOM 171 N PHE A 146 9.235 6.066 -4.075 1.00 0.00 N ATOM 172 CA PHE A 146 9.282 5.791 -5.548 1.00 0.00 C ATOM 173 C PHE A 146 10.289 6.732 -6.213 1.00 0.00 C ATOM 174 O PHE A 146 11.060 7.396 -5.545 1.00 0.00 O ATOM 175 CB PHE A 146 7.889 5.996 -6.181 1.00 0.00 C ATOM 176 CG PHE A 146 6.791 5.751 -5.160 1.00 0.00 C ATOM 177 CD1 PHE A 146 6.831 4.611 -4.342 1.00 0.00 C ATOM 178 CD2 PHE A 146 5.753 6.674 -5.018 1.00 0.00 C ATOM 179 CE1 PHE A 146 5.832 4.402 -3.385 1.00 0.00 C ATOM 180 CE2 PHE A 146 4.754 6.461 -4.065 1.00 0.00 C ATOM 181 CZ PHE A 146 4.793 5.325 -3.247 1.00 0.00 C ATOM 0 H PHE A 146 8.737 6.916 -3.810 1.00 0.00 H new ATOM 0 HA PHE A 146 9.588 4.756 -5.701 1.00 0.00 H new ATOM 0 HB2 PHE A 146 7.808 7.010 -6.572 1.00 0.00 H new ATOM 0 HB3 PHE A 146 7.765 5.318 -7.025 1.00 0.00 H new ATOM 0 HD1 PHE A 146 7.633 3.896 -4.451 1.00 0.00 H new ATOM 0 HD2 PHE A 146 5.722 7.553 -5.645 1.00 0.00 H new ATOM 0 HE1 PHE A 146 5.864 3.527 -2.753 1.00 0.00 H new ATOM 0 HE2 PHE A 146 3.950 7.174 -3.959 1.00 0.00 H new ATOM 0 HZ PHE A 146 4.020 5.163 -2.510 1.00 0.00 H new ATOM 191 N LEU A 147 10.292 6.786 -7.522 1.00 0.00 N ATOM 192 CA LEU A 147 11.256 7.675 -8.234 1.00 0.00 C ATOM 193 C LEU A 147 10.536 8.455 -9.337 1.00 0.00 C ATOM 194 O LEU A 147 10.759 9.638 -9.515 1.00 0.00 O ATOM 195 CB LEU A 147 12.363 6.823 -8.860 1.00 0.00 C ATOM 196 CG LEU A 147 13.458 6.561 -7.822 1.00 0.00 C ATOM 197 CD1 LEU A 147 13.198 5.224 -7.124 1.00 0.00 C ATOM 198 CD2 LEU A 147 14.819 6.511 -8.522 1.00 0.00 C ATOM 0 H LEU A 147 9.668 6.252 -8.127 1.00 0.00 H new ATOM 0 HA LEU A 147 11.686 8.378 -7.521 1.00 0.00 H new ATOM 0 HB2 LEU A 147 11.952 5.878 -9.216 1.00 0.00 H new ATOM 0 HB3 LEU A 147 12.783 7.334 -9.726 1.00 0.00 H new ATOM 0 HG LEU A 147 13.454 7.362 -7.083 1.00 0.00 H new ATOM 0 HD11 LEU A 147 13.979 5.041 -6.386 1.00 0.00 H new ATOM 0 HD12 LEU A 147 12.229 5.256 -6.626 1.00 0.00 H new ATOM 0 HD13 LEU A 147 13.201 4.422 -7.862 1.00 0.00 H new ATOM 0 HD21 LEU A 147 15.600 6.325 -7.785 1.00 0.00 H new ATOM 0 HD22 LEU A 147 14.819 5.710 -9.261 1.00 0.00 H new ATOM 0 HD23 LEU A 147 15.008 7.463 -9.018 1.00 0.00 H new ATOM 210 N LYS A 148 9.686 7.799 -10.088 1.00 0.00 N ATOM 211 CA LYS A 148 8.962 8.496 -11.192 1.00 0.00 C ATOM 212 C LYS A 148 7.571 8.927 -10.722 1.00 0.00 C ATOM 213 O LYS A 148 6.636 8.962 -11.495 1.00 0.00 O ATOM 214 CB LYS A 148 8.824 7.548 -12.384 1.00 0.00 C ATOM 215 CG LYS A 148 10.136 7.524 -13.170 1.00 0.00 C ATOM 216 CD LYS A 148 10.073 6.432 -14.241 1.00 0.00 C ATOM 217 CE LYS A 148 11.457 5.801 -14.418 1.00 0.00 C ATOM 218 NZ LYS A 148 11.745 5.642 -15.871 1.00 0.00 N ATOM 0 H LYS A 148 9.463 6.809 -9.983 1.00 0.00 H new ATOM 0 HA LYS A 148 9.527 9.381 -11.486 1.00 0.00 H new ATOM 0 HB2 LYS A 148 8.577 6.545 -12.038 1.00 0.00 H new ATOM 0 HB3 LYS A 148 8.007 7.873 -13.028 1.00 0.00 H new ATOM 0 HG2 LYS A 148 10.311 8.494 -13.635 1.00 0.00 H new ATOM 0 HG3 LYS A 148 10.972 7.339 -12.496 1.00 0.00 H new ATOM 0 HD2 LYS A 148 9.349 5.669 -13.954 1.00 0.00 H new ATOM 0 HD3 LYS A 148 9.732 6.855 -15.186 1.00 0.00 H new ATOM 0 HE2 LYS A 148 12.217 6.428 -13.952 1.00 0.00 H new ATOM 0 HE3 LYS A 148 11.494 4.832 -13.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 12.685 5.214 -15.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 11.025 5.028 -16.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 11.726 6.574 -16.333 1.00 0.00 H new ATOM 232 N LEU A 149 7.438 9.267 -9.462 1.00 0.00 N ATOM 233 CA LEU A 149 6.117 9.710 -8.917 1.00 0.00 C ATOM 234 C LEU A 149 5.093 8.575 -9.036 1.00 0.00 C ATOM 235 O LEU A 149 5.098 7.810 -9.982 1.00 0.00 O ATOM 236 CB LEU A 149 5.630 10.935 -9.698 1.00 0.00 C ATOM 237 CG LEU A 149 4.356 11.496 -9.053 1.00 0.00 C ATOM 238 CD1 LEU A 149 4.710 12.696 -8.173 1.00 0.00 C ATOM 239 CD2 LEU A 149 3.382 11.941 -10.148 1.00 0.00 C ATOM 0 H LEU A 149 8.198 9.256 -8.781 1.00 0.00 H new ATOM 0 HA LEU A 149 6.231 9.972 -7.865 1.00 0.00 H new ATOM 0 HB2 LEU A 149 6.407 11.699 -9.713 1.00 0.00 H new ATOM 0 HB3 LEU A 149 5.432 10.661 -10.734 1.00 0.00 H new ATOM 0 HG LEU A 149 3.891 10.722 -8.442 1.00 0.00 H new ATOM 0 HD11 LEU A 149 3.803 13.092 -7.716 1.00 0.00 H new ATOM 0 HD12 LEU A 149 5.403 12.383 -7.392 1.00 0.00 H new ATOM 0 HD13 LEU A 149 5.177 13.469 -8.783 1.00 0.00 H new ATOM 0 HD21 LEU A 149 2.477 12.340 -9.690 1.00 0.00 H new ATOM 0 HD22 LEU A 149 3.850 12.713 -10.759 1.00 0.00 H new ATOM 0 HD23 LEU A 149 3.125 11.087 -10.776 1.00 0.00 H new ATOM 251 N ALA A 150 4.214 8.462 -8.074 1.00 0.00 N ATOM 252 CA ALA A 150 3.182 7.385 -8.110 1.00 0.00 C ATOM 253 C ALA A 150 1.792 8.014 -7.975 1.00 0.00 C ATOM 254 O ALA A 150 1.634 9.210 -8.129 1.00 0.00 O ATOM 255 CB ALA A 150 3.433 6.417 -6.954 1.00 0.00 C ATOM 0 H ALA A 150 4.167 9.074 -7.260 1.00 0.00 H new ATOM 0 HA ALA A 150 3.238 6.843 -9.054 1.00 0.00 H new ATOM 0 HB1 ALA A 150 2.683 5.626 -6.972 1.00 0.00 H new ATOM 0 HB2 ALA A 150 4.426 5.978 -7.056 1.00 0.00 H new ATOM 0 HB3 ALA A 150 3.369 6.955 -6.008 1.00 0.00 H new ATOM 261 N PHE A 151 0.785 7.224 -7.692 1.00 0.00 N ATOM 262 CA PHE A 151 -0.597 7.781 -7.553 1.00 0.00 C ATOM 263 C PHE A 151 -1.455 6.825 -6.717 1.00 0.00 C ATOM 264 O PHE A 151 -1.494 5.636 -6.969 1.00 0.00 O ATOM 265 CB PHE A 151 -1.223 7.944 -8.945 1.00 0.00 C ATOM 266 CG PHE A 151 -1.210 9.398 -9.357 1.00 0.00 C ATOM 267 CD1 PHE A 151 -2.276 10.234 -9.005 1.00 0.00 C ATOM 268 CD2 PHE A 151 -0.134 9.909 -10.095 1.00 0.00 C ATOM 269 CE1 PHE A 151 -2.266 11.580 -9.392 1.00 0.00 C ATOM 270 CE2 PHE A 151 -0.126 11.253 -10.481 1.00 0.00 C ATOM 271 CZ PHE A 151 -1.191 12.089 -10.129 1.00 0.00 C ATOM 0 H PHE A 151 0.861 6.217 -7.551 1.00 0.00 H new ATOM 0 HA PHE A 151 -0.549 8.751 -7.058 1.00 0.00 H new ATOM 0 HB2 PHE A 151 -0.671 7.348 -9.672 1.00 0.00 H new ATOM 0 HB3 PHE A 151 -2.247 7.570 -8.937 1.00 0.00 H new ATOM 0 HD1 PHE A 151 -3.105 9.841 -8.436 1.00 0.00 H new ATOM 0 HD2 PHE A 151 0.689 9.265 -10.366 1.00 0.00 H new ATOM 0 HE1 PHE A 151 -3.089 12.225 -9.121 1.00 0.00 H new ATOM 0 HE2 PHE A 151 0.703 11.646 -11.051 1.00 0.00 H new ATOM 0 HZ PHE A 151 -1.183 13.127 -10.426 1.00 0.00 H new ATOM 281 N CYS A 152 -2.138 7.337 -5.718 1.00 0.00 N ATOM 282 CA CYS A 152 -2.985 6.448 -4.864 1.00 0.00 C ATOM 283 C CYS A 152 -4.400 6.299 -5.439 1.00 0.00 C ATOM 284 O CYS A 152 -5.212 7.202 -5.362 1.00 0.00 O ATOM 285 CB CYS A 152 -3.104 7.023 -3.462 1.00 0.00 C ATOM 286 SG CYS A 152 -3.807 5.740 -2.406 1.00 0.00 S ATOM 0 H CYS A 152 -2.145 8.324 -5.460 1.00 0.00 H new ATOM 0 HA CYS A 152 -2.501 5.472 -4.838 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -2.127 7.332 -3.091 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -3.739 7.909 -3.464 1.00 0.00 H new ATOM 0 HG CYS A 152 -3.930 4.638 -3.085 1.00 0.00 H new ATOM 291 N ASP A 153 -4.706 5.144 -5.973 1.00 0.00 N ATOM 292 CA ASP A 153 -6.075 4.903 -6.529 1.00 0.00 C ATOM 293 C ASP A 153 -7.130 4.879 -5.400 1.00 0.00 C ATOM 294 O ASP A 153 -8.318 4.903 -5.659 1.00 0.00 O ATOM 295 CB ASP A 153 -6.084 3.555 -7.257 1.00 0.00 C ATOM 296 CG ASP A 153 -5.814 3.775 -8.748 1.00 0.00 C ATOM 297 OD1 ASP A 153 -4.966 4.593 -9.060 1.00 0.00 O ATOM 298 OD2 ASP A 153 -6.461 3.121 -9.549 1.00 0.00 O ATOM 0 H ASP A 153 -4.065 4.354 -6.049 1.00 0.00 H new ATOM 0 HA ASP A 153 -6.323 5.710 -7.218 1.00 0.00 H new ATOM 0 HB2 ASP A 153 -5.326 2.896 -6.833 1.00 0.00 H new ATOM 0 HB3 ASP A 153 -7.047 3.063 -7.120 1.00 0.00 H new ATOM 303 N ILE A 154 -6.708 4.821 -4.157 1.00 0.00 N ATOM 304 CA ILE A 154 -7.679 4.784 -3.012 1.00 0.00 C ATOM 305 C ILE A 154 -8.052 6.205 -2.605 1.00 0.00 C ATOM 306 O ILE A 154 -9.124 6.446 -2.080 1.00 0.00 O ATOM 307 CB ILE A 154 -6.997 4.089 -1.821 1.00 0.00 C ATOM 308 CG1 ILE A 154 -6.654 2.631 -2.244 1.00 0.00 C ATOM 309 CG2 ILE A 154 -7.874 4.157 -0.539 1.00 0.00 C ATOM 310 CD1 ILE A 154 -7.711 1.620 -1.764 1.00 0.00 C ATOM 0 H ILE A 154 -5.725 4.798 -3.884 1.00 0.00 H new ATOM 0 HA ILE A 154 -8.579 4.246 -3.309 1.00 0.00 H new ATOM 0 HB ILE A 154 -6.074 4.607 -1.561 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -6.572 2.580 -3.330 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -5.681 2.356 -1.837 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -7.359 3.656 0.281 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -8.050 5.199 -0.274 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -8.828 3.664 -0.724 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -7.427 0.617 -2.084 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -7.775 1.650 -0.676 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -8.680 1.876 -2.192 1.00 0.00 H new ATOM 322 N CYS A 155 -7.156 7.130 -2.792 1.00 0.00 N ATOM 323 CA CYS A 155 -7.431 8.518 -2.360 1.00 0.00 C ATOM 324 C CYS A 155 -7.942 9.369 -3.525 1.00 0.00 C ATOM 325 O CYS A 155 -9.133 9.507 -3.700 1.00 0.00 O ATOM 326 CB CYS A 155 -6.155 9.081 -1.776 1.00 0.00 C ATOM 327 SG CYS A 155 -5.847 8.252 -0.195 1.00 0.00 S ATOM 0 H CYS A 155 -6.245 6.981 -3.226 1.00 0.00 H new ATOM 0 HA CYS A 155 -8.218 8.529 -1.606 1.00 0.00 H new ATOM 0 HB2 CYS A 155 -5.321 8.921 -2.459 1.00 0.00 H new ATOM 0 HB3 CYS A 155 -6.245 10.157 -1.630 1.00 0.00 H new ATOM 0 HG CYS A 155 -4.571 8.051 -0.052 1.00 0.00 H new ATOM 332 N GLN A 156 -7.063 9.938 -4.316 1.00 0.00 N ATOM 333 CA GLN A 156 -7.509 10.788 -5.474 1.00 0.00 C ATOM 334 C GLN A 156 -6.317 11.513 -6.113 1.00 0.00 C ATOM 335 O GLN A 156 -6.389 11.906 -7.264 1.00 0.00 O ATOM 336 CB GLN A 156 -8.538 11.842 -5.014 1.00 0.00 C ATOM 337 CG GLN A 156 -9.958 11.404 -5.409 1.00 0.00 C ATOM 338 CD GLN A 156 -10.450 12.240 -6.591 1.00 0.00 C ATOM 339 OE1 GLN A 156 -9.834 12.258 -7.637 1.00 0.00 O ATOM 340 NE2 GLN A 156 -11.545 12.940 -6.468 1.00 0.00 N ATOM 0 H GLN A 156 -6.052 9.852 -4.212 1.00 0.00 H new ATOM 0 HA GLN A 156 -7.966 10.124 -6.207 1.00 0.00 H new ATOM 0 HB2 GLN A 156 -8.477 11.973 -3.934 1.00 0.00 H new ATOM 0 HB3 GLN A 156 -8.308 12.807 -5.466 1.00 0.00 H new ATOM 0 HG2 GLN A 156 -9.962 10.347 -5.674 1.00 0.00 H new ATOM 0 HG3 GLN A 156 -10.634 11.523 -4.562 1.00 0.00 H new ATOM 0 HE21 GLN A 156 -12.063 12.926 -5.590 1.00 0.00 H new ATOM 0 HE22 GLN A 156 -11.882 13.501 -7.250 1.00 0.00 H new ATOM 349 N LYS A 157 -5.235 11.715 -5.395 1.00 0.00 N ATOM 350 CA LYS A 157 -4.079 12.435 -5.995 1.00 0.00 C ATOM 351 C LYS A 157 -2.856 11.526 -6.010 1.00 0.00 C ATOM 352 O LYS A 157 -2.928 10.357 -5.689 1.00 0.00 O ATOM 353 CB LYS A 157 -3.778 13.695 -5.172 1.00 0.00 C ATOM 354 CG LYS A 157 -3.490 13.320 -3.708 1.00 0.00 C ATOM 355 CD LYS A 157 -4.433 14.091 -2.778 1.00 0.00 C ATOM 356 CE LYS A 157 -4.752 13.236 -1.550 1.00 0.00 C ATOM 357 NZ LYS A 157 -6.001 13.735 -0.907 1.00 0.00 N ATOM 0 H LYS A 157 -5.109 11.413 -4.429 1.00 0.00 H new ATOM 0 HA LYS A 157 -4.323 12.720 -7.018 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -2.921 14.218 -5.596 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -4.625 14.380 -5.219 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -3.621 12.247 -3.566 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -2.453 13.550 -3.462 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -3.971 15.029 -2.471 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -5.352 14.346 -3.305 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -4.872 12.193 -1.842 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -3.925 13.276 -0.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -6.218 13.154 -0.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -5.870 14.725 -0.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -6.788 13.675 -1.584 1.00 0.00 H new ATOM 371 N PHE A 158 -1.737 12.068 -6.398 1.00 0.00 N ATOM 372 CA PHE A 158 -0.468 11.286 -6.467 1.00 0.00 C ATOM 373 C PHE A 158 -0.244 10.460 -5.176 1.00 0.00 C ATOM 374 O PHE A 158 -0.957 10.599 -4.201 1.00 0.00 O ATOM 375 CB PHE A 158 0.686 12.295 -6.629 1.00 0.00 C ATOM 376 CG PHE A 158 0.917 12.991 -5.305 1.00 0.00 C ATOM 377 CD1 PHE A 158 0.026 13.973 -4.861 1.00 0.00 C ATOM 378 CD2 PHE A 158 1.985 12.597 -4.496 1.00 0.00 C ATOM 379 CE1 PHE A 158 0.210 14.568 -3.614 1.00 0.00 C ATOM 380 CE2 PHE A 158 2.166 13.186 -3.245 1.00 0.00 C ATOM 381 CZ PHE A 158 1.279 14.174 -2.801 1.00 0.00 C ATOM 0 H PHE A 158 -1.645 13.045 -6.678 1.00 0.00 H new ATOM 0 HA PHE A 158 -0.514 10.589 -7.304 1.00 0.00 H new ATOM 0 HB2 PHE A 158 1.593 11.782 -6.949 1.00 0.00 H new ATOM 0 HB3 PHE A 158 0.443 13.025 -7.401 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -0.804 14.270 -5.484 1.00 0.00 H new ATOM 0 HD2 PHE A 158 2.671 11.836 -4.839 1.00 0.00 H new ATOM 0 HE1 PHE A 158 -0.473 15.333 -3.275 1.00 0.00 H new ATOM 0 HE2 PHE A 158 2.991 12.880 -2.618 1.00 0.00 H new ATOM 0 HZ PHE A 158 1.419 14.631 -1.833 1.00 0.00 H new ATOM 391 N LEU A 159 0.787 9.663 -5.166 1.00 0.00 N ATOM 392 CA LEU A 159 1.142 8.879 -3.949 1.00 0.00 C ATOM 393 C LEU A 159 2.597 9.213 -3.612 1.00 0.00 C ATOM 394 O LEU A 159 3.390 9.497 -4.491 1.00 0.00 O ATOM 395 CB LEU A 159 0.998 7.373 -4.221 1.00 0.00 C ATOM 396 CG LEU A 159 1.454 6.584 -2.985 1.00 0.00 C ATOM 397 CD1 LEU A 159 0.522 6.886 -1.820 1.00 0.00 C ATOM 398 CD2 LEU A 159 1.427 5.091 -3.280 1.00 0.00 C ATOM 0 H LEU A 159 1.409 9.519 -5.962 1.00 0.00 H new ATOM 0 HA LEU A 159 0.479 9.131 -3.121 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -0.039 7.133 -4.457 1.00 0.00 H new ATOM 0 HB3 LEU A 159 1.596 7.090 -5.087 1.00 0.00 H new ATOM 0 HG LEU A 159 2.472 6.879 -2.729 1.00 0.00 H new ATOM 0 HD11 LEU A 159 0.844 6.327 -0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 159 0.548 7.953 -1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -0.495 6.595 -2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 159 1.752 4.540 -2.398 1.00 0.00 H new ATOM 0 HD22 LEU A 159 0.413 4.790 -3.543 1.00 0.00 H new ATOM 0 HD23 LEU A 159 2.097 4.872 -4.112 1.00 0.00 H new ATOM 410 N LEU A 160 2.950 9.193 -2.358 1.00 0.00 N ATOM 411 CA LEU A 160 4.341 9.519 -1.961 1.00 0.00 C ATOM 412 C LEU A 160 4.960 8.308 -1.266 1.00 0.00 C ATOM 413 O LEU A 160 4.408 7.224 -1.293 1.00 0.00 O ATOM 414 CB LEU A 160 4.297 10.701 -0.999 1.00 0.00 C ATOM 415 CG LEU A 160 3.368 10.386 0.181 1.00 0.00 C ATOM 416 CD1 LEU A 160 3.956 10.969 1.467 1.00 0.00 C ATOM 417 CD2 LEU A 160 1.990 11.004 -0.071 1.00 0.00 C ATOM 0 H LEU A 160 2.325 8.962 -1.585 1.00 0.00 H new ATOM 0 HA LEU A 160 4.941 9.773 -2.835 1.00 0.00 H new ATOM 0 HB2 LEU A 160 5.300 10.920 -0.634 1.00 0.00 H new ATOM 0 HB3 LEU A 160 3.946 11.592 -1.521 1.00 0.00 H new ATOM 0 HG LEU A 160 3.270 9.305 0.282 1.00 0.00 H new ATOM 0 HD11 LEU A 160 3.295 10.744 2.304 1.00 0.00 H new ATOM 0 HD12 LEU A 160 4.936 10.529 1.651 1.00 0.00 H new ATOM 0 HD13 LEU A 160 4.056 12.049 1.364 1.00 0.00 H new ATOM 0 HD21 LEU A 160 1.332 10.779 0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 160 2.089 12.084 -0.175 1.00 0.00 H new ATOM 0 HD23 LEU A 160 1.567 10.589 -0.986 1.00 0.00 H new ATOM 429 N ASN A 161 6.100 8.478 -0.632 1.00 0.00 N ATOM 430 CA ASN A 161 6.749 7.331 0.083 1.00 0.00 C ATOM 431 C ASN A 161 5.732 6.718 1.052 1.00 0.00 C ATOM 432 O ASN A 161 5.484 7.251 2.118 1.00 0.00 O ATOM 433 CB ASN A 161 7.971 7.848 0.862 1.00 0.00 C ATOM 434 CG ASN A 161 8.623 6.713 1.672 1.00 0.00 C ATOM 435 OD1 ASN A 161 9.197 6.955 2.715 1.00 0.00 O ATOM 436 ND2 ASN A 161 8.563 5.483 1.237 1.00 0.00 N ATOM 0 H ASN A 161 6.607 9.361 -0.580 1.00 0.00 H new ATOM 0 HA ASN A 161 7.075 6.575 -0.631 1.00 0.00 H new ATOM 0 HB2 ASN A 161 8.698 8.270 0.168 1.00 0.00 H new ATOM 0 HB3 ASN A 161 7.667 8.651 1.533 1.00 0.00 H new ATOM 0 HD21 ASN A 161 8.997 4.731 1.772 1.00 0.00 H new ATOM 0 HD22 ASN A 161 8.082 5.274 0.362 1.00 0.00 H new ATOM 443 N GLY A 162 5.125 5.623 0.674 1.00 0.00 N ATOM 444 CA GLY A 162 4.103 5.001 1.564 1.00 0.00 C ATOM 445 C GLY A 162 4.264 3.488 1.577 1.00 0.00 C ATOM 446 O GLY A 162 5.071 2.951 2.311 1.00 0.00 O ATOM 0 H GLY A 162 5.292 5.136 -0.207 1.00 0.00 H new ATOM 0 HA2 GLY A 162 4.205 5.393 2.576 1.00 0.00 H new ATOM 0 HA3 GLY A 162 3.103 5.264 1.220 1.00 0.00 H new ATOM 450 N PHE A 163 3.491 2.795 0.781 1.00 0.00 N ATOM 451 CA PHE A 163 3.587 1.311 0.763 1.00 0.00 C ATOM 452 C PHE A 163 3.077 0.756 -0.570 1.00 0.00 C ATOM 453 O PHE A 163 1.906 0.860 -0.889 1.00 0.00 O ATOM 454 CB PHE A 163 2.717 0.741 1.892 1.00 0.00 C ATOM 455 CG PHE A 163 3.560 0.462 3.113 1.00 0.00 C ATOM 456 CD1 PHE A 163 4.253 -0.749 3.226 1.00 0.00 C ATOM 457 CD2 PHE A 163 3.636 1.410 4.140 1.00 0.00 C ATOM 458 CE1 PHE A 163 5.022 -1.013 4.365 1.00 0.00 C ATOM 459 CE2 PHE A 163 4.404 1.145 5.281 1.00 0.00 C ATOM 460 CZ PHE A 163 5.098 -0.066 5.394 1.00 0.00 C ATOM 0 H PHE A 163 2.800 3.194 0.146 1.00 0.00 H new ATOM 0 HA PHE A 163 4.630 1.025 0.896 1.00 0.00 H new ATOM 0 HB2 PHE A 163 1.925 1.447 2.142 1.00 0.00 H new ATOM 0 HB3 PHE A 163 2.232 -0.177 1.559 1.00 0.00 H new ATOM 0 HD1 PHE A 163 4.194 -1.480 2.433 1.00 0.00 H new ATOM 0 HD2 PHE A 163 3.103 2.345 4.053 1.00 0.00 H new ATOM 0 HE1 PHE A 163 5.557 -1.947 4.451 1.00 0.00 H new ATOM 0 HE2 PHE A 163 4.461 1.875 6.074 1.00 0.00 H new ATOM 0 HZ PHE A 163 5.691 -0.269 6.273 1.00 0.00 H new ATOM 470 N ARG A 164 3.943 0.139 -1.334 1.00 0.00 N ATOM 471 CA ARG A 164 3.512 -0.462 -2.625 1.00 0.00 C ATOM 472 C ARG A 164 3.770 -1.963 -2.571 1.00 0.00 C ATOM 473 O ARG A 164 4.818 -2.404 -2.137 1.00 0.00 O ATOM 474 CB ARG A 164 4.338 0.091 -3.779 1.00 0.00 C ATOM 475 CG ARG A 164 4.176 1.606 -3.882 1.00 0.00 C ATOM 476 CD ARG A 164 4.953 2.121 -5.098 1.00 0.00 C ATOM 477 NE ARG A 164 4.560 1.348 -6.311 1.00 0.00 N ATOM 478 CZ ARG A 164 5.289 1.416 -7.392 1.00 0.00 C ATOM 479 NH1 ARG A 164 6.572 1.186 -7.328 1.00 0.00 N ATOM 480 NH2 ARG A 164 4.738 1.715 -8.536 1.00 0.00 N ATOM 0 H ARG A 164 4.933 0.027 -1.115 1.00 0.00 H new ATOM 0 HA ARG A 164 2.458 -0.233 -2.778 1.00 0.00 H new ATOM 0 HB2 ARG A 164 5.389 -0.158 -3.632 1.00 0.00 H new ATOM 0 HB3 ARG A 164 4.027 -0.377 -4.713 1.00 0.00 H new ATOM 0 HG2 ARG A 164 3.121 1.864 -3.975 1.00 0.00 H new ATOM 0 HG3 ARG A 164 4.542 2.084 -2.974 1.00 0.00 H new ATOM 0 HD2 ARG A 164 4.750 3.181 -5.249 1.00 0.00 H new ATOM 0 HD3 ARG A 164 6.025 2.024 -4.925 1.00 0.00 H new ATOM 0 HE ARG A 164 3.722 0.766 -6.296 1.00 0.00 H new ATOM 0 HH11 ARG A 164 7.004 0.953 -6.434 1.00 0.00 H new ATOM 0 HH12 ARG A 164 7.142 1.239 -8.172 1.00 0.00 H new ATOM 0 HH21 ARG A 164 3.736 1.896 -8.587 1.00 0.00 H new ATOM 0 HH22 ARG A 164 5.310 1.768 -9.379 1.00 0.00 H new ATOM 494 N CYS A 165 2.832 -2.750 -3.024 1.00 0.00 N ATOM 495 CA CYS A 165 3.032 -4.225 -3.018 1.00 0.00 C ATOM 496 C CYS A 165 3.922 -4.593 -4.204 1.00 0.00 C ATOM 497 O CYS A 165 3.629 -4.244 -5.334 1.00 0.00 O ATOM 498 CB CYS A 165 1.682 -4.929 -3.147 1.00 0.00 C ATOM 499 SG CYS A 165 1.910 -6.714 -2.961 1.00 0.00 S ATOM 0 H CYS A 165 1.937 -2.434 -3.397 1.00 0.00 H new ATOM 0 HA CYS A 165 3.502 -4.537 -2.085 1.00 0.00 H new ATOM 0 HB2 CYS A 165 0.993 -4.559 -2.388 1.00 0.00 H new ATOM 0 HB3 CYS A 165 1.236 -4.708 -4.117 1.00 0.00 H new ATOM 0 HG CYS A 165 0.820 -7.244 -2.490 1.00 0.00 H new ATOM 504 N GLN A 166 5.012 -5.280 -3.950 1.00 0.00 N ATOM 505 CA GLN A 166 5.947 -5.663 -5.056 1.00 0.00 C ATOM 506 C GLN A 166 5.516 -6.990 -5.706 1.00 0.00 C ATOM 507 O GLN A 166 6.271 -7.590 -6.449 1.00 0.00 O ATOM 508 CB GLN A 166 7.366 -5.807 -4.486 1.00 0.00 C ATOM 509 CG GLN A 166 8.354 -4.995 -5.331 1.00 0.00 C ATOM 510 CD GLN A 166 9.725 -5.674 -5.313 1.00 0.00 C ATOM 511 OE1 GLN A 166 9.911 -6.709 -5.922 1.00 0.00 O ATOM 512 NE2 GLN A 166 10.700 -5.130 -4.635 1.00 0.00 N ATOM 0 H GLN A 166 5.294 -5.593 -3.021 1.00 0.00 H new ATOM 0 HA GLN A 166 5.925 -4.885 -5.819 1.00 0.00 H new ATOM 0 HB2 GLN A 166 7.389 -5.461 -3.452 1.00 0.00 H new ATOM 0 HB3 GLN A 166 7.659 -6.857 -4.478 1.00 0.00 H new ATOM 0 HG2 GLN A 166 7.991 -4.914 -6.355 1.00 0.00 H new ATOM 0 HG3 GLN A 166 8.434 -3.981 -4.940 1.00 0.00 H new ATOM 0 HE21 GLN A 166 10.543 -4.261 -4.124 1.00 0.00 H new ATOM 0 HE22 GLN A 166 11.618 -5.574 -4.617 1.00 0.00 H new ATOM 521 N THR A 167 4.314 -7.443 -5.450 1.00 0.00 N ATOM 522 CA THR A 167 3.834 -8.713 -6.068 1.00 0.00 C ATOM 523 C THR A 167 2.666 -8.384 -6.998 1.00 0.00 C ATOM 524 O THR A 167 2.615 -8.844 -8.124 1.00 0.00 O ATOM 525 CB THR A 167 3.382 -9.704 -4.980 1.00 0.00 C ATOM 526 OG1 THR A 167 3.425 -9.078 -3.706 1.00 0.00 O ATOM 527 CG2 THR A 167 4.305 -10.926 -4.970 1.00 0.00 C ATOM 0 H THR A 167 3.642 -6.983 -4.835 1.00 0.00 H new ATOM 0 HA THR A 167 4.643 -9.178 -6.632 1.00 0.00 H new ATOM 0 HB THR A 167 2.361 -10.020 -5.197 1.00 0.00 H new ATOM 0 HG1 THR A 167 2.738 -8.381 -3.661 1.00 0.00 H new ATOM 0 HG21 THR A 167 3.979 -11.622 -4.198 1.00 0.00 H new ATOM 0 HG22 THR A 167 4.267 -11.418 -5.942 1.00 0.00 H new ATOM 0 HG23 THR A 167 5.327 -10.608 -4.764 1.00 0.00 H new ATOM 535 N CYS A 168 1.738 -7.573 -6.544 1.00 0.00 N ATOM 536 CA CYS A 168 0.591 -7.199 -7.416 1.00 0.00 C ATOM 537 C CYS A 168 0.805 -5.788 -7.987 1.00 0.00 C ATOM 538 O CYS A 168 0.083 -5.367 -8.872 1.00 0.00 O ATOM 539 CB CYS A 168 -0.737 -7.269 -6.640 1.00 0.00 C ATOM 540 SG CYS A 168 -0.672 -6.253 -5.141 1.00 0.00 S ATOM 0 H CYS A 168 1.730 -7.159 -5.612 1.00 0.00 H new ATOM 0 HA CYS A 168 0.537 -7.911 -8.239 1.00 0.00 H new ATOM 0 HB2 CYS A 168 -1.553 -6.929 -7.278 1.00 0.00 H new ATOM 0 HB3 CYS A 168 -0.951 -8.304 -6.373 1.00 0.00 H new ATOM 0 HG CYS A 168 0.328 -6.633 -4.402 1.00 0.00 H new ATOM 545 N GLY A 169 1.794 -5.053 -7.507 1.00 0.00 N ATOM 546 CA GLY A 169 2.034 -3.687 -8.054 1.00 0.00 C ATOM 547 C GLY A 169 0.985 -2.736 -7.499 1.00 0.00 C ATOM 548 O GLY A 169 0.328 -2.025 -8.237 1.00 0.00 O ATOM 0 H GLY A 169 2.433 -5.345 -6.768 1.00 0.00 H new ATOM 0 HA2 GLY A 169 3.033 -3.344 -7.784 1.00 0.00 H new ATOM 0 HA3 GLY A 169 1.987 -3.705 -9.143 1.00 0.00 H new ATOM 552 N TYR A 170 0.830 -2.713 -6.203 1.00 0.00 N ATOM 553 CA TYR A 170 -0.176 -1.796 -5.593 1.00 0.00 C ATOM 554 C TYR A 170 0.556 -0.587 -5.021 1.00 0.00 C ATOM 555 O TYR A 170 1.762 -0.610 -4.864 1.00 0.00 O ATOM 556 CB TYR A 170 -0.950 -2.528 -4.487 1.00 0.00 C ATOM 557 CG TYR A 170 -2.414 -2.600 -4.864 1.00 0.00 C ATOM 558 CD1 TYR A 170 -2.859 -3.583 -5.757 1.00 0.00 C ATOM 559 CD2 TYR A 170 -3.320 -1.680 -4.328 1.00 0.00 C ATOM 560 CE1 TYR A 170 -4.211 -3.645 -6.112 1.00 0.00 C ATOM 561 CE2 TYR A 170 -4.673 -1.743 -4.684 1.00 0.00 C ATOM 562 CZ TYR A 170 -5.118 -2.725 -5.576 1.00 0.00 C ATOM 563 OH TYR A 170 -6.451 -2.787 -5.925 1.00 0.00 O ATOM 0 H TYR A 170 1.354 -3.287 -5.542 1.00 0.00 H new ATOM 0 HA TYR A 170 -0.891 -1.468 -6.347 1.00 0.00 H new ATOM 0 HB2 TYR A 170 -0.548 -3.532 -4.350 1.00 0.00 H new ATOM 0 HB3 TYR A 170 -0.832 -2.005 -3.538 1.00 0.00 H new ATOM 0 HD1 TYR A 170 -2.159 -4.293 -6.172 1.00 0.00 H new ATOM 0 HD2 TYR A 170 -2.977 -0.921 -3.640 1.00 0.00 H new ATOM 0 HE1 TYR A 170 -4.554 -4.403 -6.800 1.00 0.00 H new ATOM 0 HE2 TYR A 170 -5.374 -1.033 -4.270 1.00 0.00 H new ATOM 0 HH TYR A 170 -6.943 -2.077 -5.463 1.00 0.00 H new ATOM 573 N LYS A 171 -0.153 0.476 -4.735 1.00 0.00 N ATOM 574 CA LYS A 171 0.525 1.687 -4.196 1.00 0.00 C ATOM 575 C LYS A 171 -0.481 2.576 -3.462 1.00 0.00 C ATOM 576 O LYS A 171 -1.502 2.944 -4.012 1.00 0.00 O ATOM 577 CB LYS A 171 1.141 2.459 -5.369 1.00 0.00 C ATOM 578 CG LYS A 171 0.053 2.811 -6.391 1.00 0.00 C ATOM 579 CD LYS A 171 0.702 3.383 -7.658 1.00 0.00 C ATOM 580 CE LYS A 171 0.752 2.308 -8.747 1.00 0.00 C ATOM 581 NZ LYS A 171 -0.364 2.524 -9.710 1.00 0.00 N ATOM 0 H LYS A 171 -1.163 0.555 -4.851 1.00 0.00 H new ATOM 0 HA LYS A 171 1.301 1.391 -3.490 1.00 0.00 H new ATOM 0 HB2 LYS A 171 1.619 3.369 -5.006 1.00 0.00 H new ATOM 0 HB3 LYS A 171 1.917 1.858 -5.843 1.00 0.00 H new ATOM 0 HG2 LYS A 171 -0.529 1.923 -6.638 1.00 0.00 H new ATOM 0 HG3 LYS A 171 -0.639 3.538 -5.965 1.00 0.00 H new ATOM 0 HD2 LYS A 171 0.135 4.245 -8.011 1.00 0.00 H new ATOM 0 HD3 LYS A 171 1.709 3.734 -7.435 1.00 0.00 H new ATOM 0 HE2 LYS A 171 1.709 2.347 -9.268 1.00 0.00 H new ATOM 0 HE3 LYS A 171 0.673 1.317 -8.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 -0.330 1.794 -10.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 -1.273 2.466 -9.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 -0.269 3.463 -10.146 1.00 0.00 H new ATOM 595 N PHE A 172 -0.200 2.931 -2.226 1.00 0.00 N ATOM 596 CA PHE A 172 -1.156 3.808 -1.483 1.00 0.00 C ATOM 597 C PHE A 172 -0.603 4.221 -0.109 1.00 0.00 C ATOM 598 O PHE A 172 0.486 3.847 0.280 1.00 0.00 O ATOM 599 CB PHE A 172 -2.490 3.086 -1.311 1.00 0.00 C ATOM 600 CG PHE A 172 -2.287 1.670 -0.808 1.00 0.00 C ATOM 601 CD1 PHE A 172 -1.742 1.437 0.461 1.00 0.00 C ATOM 602 CD2 PHE A 172 -2.684 0.590 -1.605 1.00 0.00 C ATOM 603 CE1 PHE A 172 -1.592 0.130 0.931 1.00 0.00 C ATOM 604 CE2 PHE A 172 -2.531 -0.720 -1.135 1.00 0.00 C ATOM 605 CZ PHE A 172 -1.985 -0.950 0.133 1.00 0.00 C ATOM 0 H PHE A 172 0.636 2.655 -1.711 1.00 0.00 H new ATOM 0 HA PHE A 172 -1.300 4.716 -2.068 1.00 0.00 H new ATOM 0 HB2 PHE A 172 -3.117 3.637 -0.610 1.00 0.00 H new ATOM 0 HB3 PHE A 172 -3.020 3.064 -2.263 1.00 0.00 H new ATOM 0 HD1 PHE A 172 -1.437 2.270 1.078 1.00 0.00 H new ATOM 0 HD2 PHE A 172 -3.108 0.767 -2.582 1.00 0.00 H new ATOM 0 HE1 PHE A 172 -1.173 -0.047 1.910 1.00 0.00 H new ATOM 0 HE2 PHE A 172 -2.834 -1.553 -1.751 1.00 0.00 H new ATOM 0 HZ PHE A 172 -1.867 -1.961 0.495 1.00 0.00 H new ATOM 615 N HIS A 173 -1.356 5.023 0.614 1.00 0.00 N ATOM 616 CA HIS A 173 -0.905 5.518 1.959 1.00 0.00 C ATOM 617 C HIS A 173 -1.461 4.625 3.095 1.00 0.00 C ATOM 618 O HIS A 173 -1.864 3.501 2.876 1.00 0.00 O ATOM 619 CB HIS A 173 -1.402 6.957 2.185 1.00 0.00 C ATOM 620 CG HIS A 173 -1.579 7.696 0.911 1.00 0.00 C ATOM 621 ND1 HIS A 173 -2.751 7.618 0.152 1.00 0.00 N ATOM 622 CD2 HIS A 173 -0.769 8.579 0.284 1.00 0.00 C ATOM 623 CE1 HIS A 173 -2.575 8.469 -0.872 1.00 0.00 C ATOM 624 NE2 HIS A 173 -1.386 9.068 -0.826 1.00 0.00 N ATOM 0 H HIS A 173 -2.275 5.359 0.325 1.00 0.00 H new ATOM 0 HA HIS A 173 0.184 5.486 1.975 1.00 0.00 H new ATOM 0 HB2 HIS A 173 -2.350 6.932 2.723 1.00 0.00 H new ATOM 0 HB3 HIS A 173 -0.691 7.490 2.816 1.00 0.00 H new ATOM 0 HD2 HIS A 173 0.221 8.855 0.615 1.00 0.00 H new ATOM 0 HE1 HIS A 173 -3.311 8.647 -1.642 1.00 0.00 H new ATOM 0 HE2 HIS A 173 -1.015 9.751 -1.486 1.00 0.00 H new ATOM 632 N GLU A 174 -1.482 5.135 4.316 1.00 0.00 N ATOM 633 CA GLU A 174 -2.005 4.344 5.478 1.00 0.00 C ATOM 634 C GLU A 174 -3.537 4.236 5.413 1.00 0.00 C ATOM 635 O GLU A 174 -4.126 3.336 5.978 1.00 0.00 O ATOM 636 CB GLU A 174 -1.599 5.035 6.784 1.00 0.00 C ATOM 637 CG GLU A 174 -2.060 6.494 6.759 1.00 0.00 C ATOM 638 CD GLU A 174 -2.123 7.034 8.188 1.00 0.00 C ATOM 639 OE1 GLU A 174 -2.565 6.303 9.060 1.00 0.00 O ATOM 640 OE2 GLU A 174 -1.729 8.171 8.389 1.00 0.00 O ATOM 0 H GLU A 174 -1.156 6.072 4.552 1.00 0.00 H new ATOM 0 HA GLU A 174 -1.582 3.340 5.439 1.00 0.00 H new ATOM 0 HB2 GLU A 174 -2.043 4.517 7.634 1.00 0.00 H new ATOM 0 HB3 GLU A 174 -0.518 4.987 6.911 1.00 0.00 H new ATOM 0 HG2 GLU A 174 -1.372 7.093 6.162 1.00 0.00 H new ATOM 0 HG3 GLU A 174 -3.040 6.569 6.287 1.00 0.00 H new ATOM 647 N HIS A 175 -4.185 5.129 4.701 1.00 0.00 N ATOM 648 CA HIS A 175 -5.678 5.069 4.561 1.00 0.00 C ATOM 649 C HIS A 175 -6.076 3.876 3.703 1.00 0.00 C ATOM 650 O HIS A 175 -7.248 3.631 3.479 1.00 0.00 O ATOM 651 CB HIS A 175 -6.143 6.298 3.773 1.00 0.00 C ATOM 652 CG HIS A 175 -6.186 7.507 4.668 1.00 0.00 C ATOM 653 ND1 HIS A 175 -7.299 7.809 5.468 1.00 0.00 N ATOM 654 CD2 HIS A 175 -5.270 8.501 4.901 1.00 0.00 C ATOM 655 CE1 HIS A 175 -7.002 8.946 6.126 1.00 0.00 C ATOM 656 NE2 HIS A 175 -5.782 9.394 5.810 1.00 0.00 N ATOM 0 H HIS A 175 -3.741 5.903 4.207 1.00 0.00 H new ATOM 0 HA HIS A 175 -6.114 5.010 5.558 1.00 0.00 H new ATOM 0 HB2 HIS A 175 -5.467 6.480 2.937 1.00 0.00 H new ATOM 0 HB3 HIS A 175 -7.131 6.115 3.350 1.00 0.00 H new ATOM 0 HD2 HIS A 175 -4.296 8.571 4.440 1.00 0.00 H new ATOM 0 HE1 HIS A 175 -7.667 9.435 6.823 1.00 0.00 H new ATOM 0 HE2 HIS A 175 -5.324 10.231 6.171 1.00 0.00 H new ATOM 664 N CYS A 176 -5.116 3.231 3.104 1.00 0.00 N ATOM 665 CA CYS A 176 -5.426 2.186 2.132 1.00 0.00 C ATOM 666 C CYS A 176 -4.577 0.941 2.399 1.00 0.00 C ATOM 667 O CYS A 176 -4.255 0.194 1.496 1.00 0.00 O ATOM 668 CB CYS A 176 -5.116 2.801 0.751 1.00 0.00 C ATOM 669 SG CYS A 176 -5.092 4.657 0.842 1.00 0.00 S ATOM 0 H CYS A 176 -4.121 3.396 3.259 1.00 0.00 H new ATOM 0 HA CYS A 176 -6.465 1.863 2.191 1.00 0.00 H new ATOM 0 HB2 CYS A 176 -4.152 2.438 0.395 1.00 0.00 H new ATOM 0 HB3 CYS A 176 -5.865 2.478 0.028 1.00 0.00 H new ATOM 0 HG CYS A 176 -4.604 5.139 -0.262 1.00 0.00 H new ATOM 674 N SER A 177 -4.231 0.706 3.641 1.00 0.00 N ATOM 675 CA SER A 177 -3.418 -0.496 3.988 1.00 0.00 C ATOM 676 C SER A 177 -4.354 -1.650 4.359 1.00 0.00 C ATOM 677 O SER A 177 -4.191 -2.765 3.899 1.00 0.00 O ATOM 678 CB SER A 177 -2.509 -0.177 5.175 1.00 0.00 C ATOM 679 OG SER A 177 -3.295 -0.082 6.356 1.00 0.00 O ATOM 0 H SER A 177 -4.479 1.300 4.432 1.00 0.00 H new ATOM 0 HA SER A 177 -2.806 -0.780 3.132 1.00 0.00 H new ATOM 0 HB2 SER A 177 -1.754 -0.954 5.289 1.00 0.00 H new ATOM 0 HB3 SER A 177 -1.979 0.759 5.001 1.00 0.00 H new ATOM 0 HG SER A 177 -2.715 0.121 7.120 1.00 0.00 H new ATOM 685 N THR A 178 -5.336 -1.387 5.187 1.00 0.00 N ATOM 686 CA THR A 178 -6.290 -2.463 5.593 1.00 0.00 C ATOM 687 C THR A 178 -7.667 -2.207 4.966 1.00 0.00 C ATOM 688 O THR A 178 -8.670 -2.702 5.446 1.00 0.00 O ATOM 689 CB THR A 178 -6.425 -2.478 7.118 1.00 0.00 C ATOM 690 OG1 THR A 178 -6.165 -1.178 7.630 1.00 0.00 O ATOM 691 CG2 THR A 178 -5.427 -3.472 7.712 1.00 0.00 C ATOM 0 H THR A 178 -5.517 -0.472 5.599 1.00 0.00 H new ATOM 0 HA THR A 178 -5.910 -3.424 5.247 1.00 0.00 H new ATOM 0 HB THR A 178 -7.437 -2.778 7.389 1.00 0.00 H new ATOM 0 HG1 THR A 178 -6.253 -1.187 8.606 1.00 0.00 H new ATOM 0 HG21 THR A 178 -5.525 -3.481 8.798 1.00 0.00 H new ATOM 0 HG22 THR A 178 -5.630 -4.469 7.321 1.00 0.00 H new ATOM 0 HG23 THR A 178 -4.414 -3.176 7.441 1.00 0.00 H new ATOM 699 N LYS A 179 -7.726 -1.441 3.903 1.00 0.00 N ATOM 700 CA LYS A 179 -9.040 -1.156 3.251 1.00 0.00 C ATOM 701 C LYS A 179 -9.055 -1.731 1.831 1.00 0.00 C ATOM 702 O LYS A 179 -10.099 -2.059 1.301 1.00 0.00 O ATOM 703 CB LYS A 179 -9.260 0.356 3.190 1.00 0.00 C ATOM 704 CG LYS A 179 -10.759 0.659 3.256 1.00 0.00 C ATOM 705 CD LYS A 179 -10.987 2.156 3.039 1.00 0.00 C ATOM 706 CE LYS A 179 -12.343 2.558 3.620 1.00 0.00 C ATOM 707 NZ LYS A 179 -13.408 1.693 3.038 1.00 0.00 N ATOM 0 H LYS A 179 -6.919 -1.001 3.460 1.00 0.00 H new ATOM 0 HA LYS A 179 -9.836 -1.620 3.833 1.00 0.00 H new ATOM 0 HB2 LYS A 179 -8.743 0.843 4.017 1.00 0.00 H new ATOM 0 HB3 LYS A 179 -8.837 0.758 2.269 1.00 0.00 H new ATOM 0 HG2 LYS A 179 -11.291 0.086 2.497 1.00 0.00 H new ATOM 0 HG3 LYS A 179 -11.160 0.356 4.223 1.00 0.00 H new ATOM 0 HD2 LYS A 179 -10.191 2.728 3.516 1.00 0.00 H new ATOM 0 HD3 LYS A 179 -10.953 2.389 1.975 1.00 0.00 H new ATOM 0 HE2 LYS A 179 -12.330 2.457 4.705 1.00 0.00 H new ATOM 0 HE3 LYS A 179 -12.549 3.605 3.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 179 -14.334 2.149 3.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 179 -13.227 1.555 2.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 179 -13.407 0.771 3.518 1.00 0.00 H new ATOM 721 N VAL A 180 -7.906 -1.850 1.211 1.00 0.00 N ATOM 722 CA VAL A 180 -7.838 -2.396 -0.181 1.00 0.00 C ATOM 723 C VAL A 180 -8.544 -3.777 -0.247 1.00 0.00 C ATOM 724 O VAL A 180 -8.035 -4.740 0.293 1.00 0.00 O ATOM 725 CB VAL A 180 -6.358 -2.530 -0.575 1.00 0.00 C ATOM 726 CG1 VAL A 180 -5.637 -3.457 0.408 1.00 0.00 C ATOM 727 CG2 VAL A 180 -6.239 -3.088 -1.999 1.00 0.00 C ATOM 0 H VAL A 180 -7.005 -1.590 1.613 1.00 0.00 H new ATOM 0 HA VAL A 180 -8.345 -1.724 -0.874 1.00 0.00 H new ATOM 0 HB VAL A 180 -5.895 -1.544 -0.541 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -4.589 -3.547 0.122 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -5.704 -3.043 1.414 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -6.104 -4.442 0.389 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -5.186 -3.179 -2.267 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -6.711 -4.069 -2.046 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -6.735 -2.413 -2.697 1.00 0.00 H new