USER MOD reduce.3.24.130724 H: found=0, std=0, add=346, rem=0, adj=10 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 139 HIS : no HD1:sc= -4.71! X(o=-10!,f=-10) USER MOD Set 1.2: A 165 CYS SG : rot -157:sc= -1.49! USER MOD Set 1.3: A 167 THR OG1 : rot 74:sc= 0.401 USER MOD Set 1.4: A 168 CYS SG : rot -41:sc= -4.29! USER MOD Set 2.1: A 152 CYS SG : rot 20:sc= -0.635 USER MOD Set 2.2: A 155 CYS SG : rot 146:sc= 0.934 USER MOD Set 2.3: A 173 HIS : no HD1:sc= -6.32! C(o=-8.2!,f=-12!) USER MOD Set 2.4: A 176 CYS SG : rot -167:sc= -2.22! 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 145 THR OG1 : rot 180:sc= -0.0573 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 GLN : amide:sc= -0.162 K(o=-0.16,f=-0.81) USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 ASN : amide:sc= -1.76 X(o=-1.8,f=-1.9!) USER MOD Single : A 166 GLN : amide:sc= -0.52 K(o=-0.52,f=-3.7!) 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= -1.42 K(o=-1.4,f=-6.3!) USER MOD Single : A 177 SER OG : rot 180:sc= -0.133 USER MOD Single : A 178 THR OG1 : rot 180:sc= 0 USER MOD Single : A 179 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 50 N HIS A 139 -0.544 -10.546 -1.648 1.00 0.00 N ATOM 51 CA HIS A 139 -0.267 -9.070 -1.628 1.00 0.00 C ATOM 52 C HIS A 139 1.153 -8.852 -1.094 1.00 0.00 C ATOM 53 O HIS A 139 1.806 -9.785 -0.668 1.00 0.00 O ATOM 54 CB HIS A 139 -1.271 -8.377 -0.696 1.00 0.00 C ATOM 55 CG HIS A 139 -1.542 -6.951 -1.135 1.00 0.00 C ATOM 56 ND1 HIS A 139 -1.095 -6.419 -2.362 1.00 0.00 N ATOM 57 CD2 HIS A 139 -2.215 -5.931 -0.512 1.00 0.00 C ATOM 58 CE1 HIS A 139 -1.513 -5.141 -2.400 1.00 0.00 C ATOM 59 NE2 HIS A 139 -2.196 -4.809 -1.300 1.00 0.00 N ATOM 0 HA HIS A 139 -0.361 -8.655 -2.632 1.00 0.00 H new ATOM 0 HB2 HIS A 139 -2.205 -8.939 -0.683 1.00 0.00 H new ATOM 0 HB3 HIS A 139 -0.884 -8.378 0.323 1.00 0.00 H new ATOM 0 HD2 HIS A 139 -2.689 -6.001 0.456 1.00 0.00 H new ATOM 0 HE1 HIS A 139 -1.320 -4.465 -3.220 1.00 0.00 H new ATOM 0 HE2 HIS A 139 -2.618 -3.904 -1.089 1.00 0.00 H new ATOM 67 N ASN A 140 1.625 -7.639 -1.105 1.00 0.00 N ATOM 68 CA ASN A 140 2.996 -7.365 -0.590 1.00 0.00 C ATOM 69 C ASN A 140 3.047 -5.920 -0.114 1.00 0.00 C ATOM 70 O ASN A 140 2.289 -5.084 -0.573 1.00 0.00 O ATOM 71 CB ASN A 140 4.030 -7.598 -1.701 1.00 0.00 C ATOM 72 CG ASN A 140 5.180 -8.456 -1.165 1.00 0.00 C ATOM 73 OD1 ASN A 140 5.282 -9.623 -1.485 1.00 0.00 O ATOM 74 ND2 ASN A 140 6.055 -7.922 -0.359 1.00 0.00 N ATOM 0 H ASN A 140 1.120 -6.822 -1.449 1.00 0.00 H new ATOM 0 HA ASN A 140 3.229 -8.036 0.237 1.00 0.00 H new ATOM 0 HB2 ASN A 140 3.560 -8.093 -2.551 1.00 0.00 H new ATOM 0 HB3 ASN A 140 4.413 -6.643 -2.061 1.00 0.00 H new ATOM 0 HD21 ASN A 140 6.825 -8.485 0.003 1.00 0.00 H new ATOM 0 HD22 ASN A 140 5.969 -6.942 -0.090 1.00 0.00 H new ATOM 81 N PHE A 141 3.912 -5.618 0.816 1.00 0.00 N ATOM 82 CA PHE A 141 3.981 -4.223 1.337 1.00 0.00 C ATOM 83 C PHE A 141 5.426 -3.883 1.710 1.00 0.00 C ATOM 84 O PHE A 141 5.972 -4.405 2.663 1.00 0.00 O ATOM 85 CB PHE A 141 3.079 -4.087 2.577 1.00 0.00 C ATOM 86 CG PHE A 141 1.777 -4.844 2.372 1.00 0.00 C ATOM 87 CD1 PHE A 141 1.728 -6.226 2.604 1.00 0.00 C ATOM 88 CD2 PHE A 141 0.623 -4.168 1.950 1.00 0.00 C ATOM 89 CE1 PHE A 141 0.532 -6.927 2.419 1.00 0.00 C ATOM 90 CE2 PHE A 141 -0.572 -4.871 1.763 1.00 0.00 C ATOM 91 CZ PHE A 141 -0.618 -6.251 1.998 1.00 0.00 C ATOM 0 H PHE A 141 4.571 -6.274 1.236 1.00 0.00 H new ATOM 0 HA PHE A 141 3.637 -3.534 0.566 1.00 0.00 H new ATOM 0 HB2 PHE A 141 3.597 -4.473 3.455 1.00 0.00 H new ATOM 0 HB3 PHE A 141 2.869 -3.035 2.768 1.00 0.00 H new ATOM 0 HD1 PHE A 141 2.616 -6.750 2.926 1.00 0.00 H new ATOM 0 HD2 PHE A 141 0.657 -3.104 1.769 1.00 0.00 H new ATOM 0 HE1 PHE A 141 0.496 -7.991 2.601 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -1.460 -4.349 1.437 1.00 0.00 H new ATOM 0 HZ PHE A 141 -1.541 -6.793 1.854 1.00 0.00 H new ATOM 101 N ALA A 142 6.040 -2.998 0.967 1.00 0.00 N ATOM 102 CA ALA A 142 7.447 -2.601 1.264 1.00 0.00 C ATOM 103 C ALA A 142 7.472 -1.103 1.567 1.00 0.00 C ATOM 104 O ALA A 142 6.924 -0.309 0.829 1.00 0.00 O ATOM 105 CB ALA A 142 8.332 -2.893 0.051 1.00 0.00 C ATOM 0 H ALA A 142 5.623 -2.531 0.162 1.00 0.00 H new ATOM 0 HA ALA A 142 7.822 -3.164 2.119 1.00 0.00 H new ATOM 0 HB1 ALA A 142 9.359 -2.602 0.271 1.00 0.00 H new ATOM 0 HB2 ALA A 142 8.298 -3.958 -0.176 1.00 0.00 H new ATOM 0 HB3 ALA A 142 7.971 -2.327 -0.808 1.00 0.00 H new ATOM 111 N ARG A 143 8.099 -0.714 2.647 1.00 0.00 N ATOM 112 CA ARG A 143 8.143 0.746 2.999 1.00 0.00 C ATOM 113 C ARG A 143 9.343 1.416 2.326 1.00 0.00 C ATOM 114 O ARG A 143 10.466 1.319 2.783 1.00 0.00 O ATOM 115 CB ARG A 143 8.208 0.995 4.531 1.00 0.00 C ATOM 116 CG ARG A 143 8.795 -0.199 5.303 1.00 0.00 C ATOM 117 CD ARG A 143 10.240 -0.452 4.863 1.00 0.00 C ATOM 118 NE ARG A 143 10.781 -1.629 5.599 1.00 0.00 N ATOM 119 CZ ARG A 143 11.770 -1.479 6.437 1.00 0.00 C ATOM 120 NH1 ARG A 143 11.536 -1.095 7.662 1.00 0.00 N ATOM 121 NH2 ARG A 143 12.995 -1.712 6.048 1.00 0.00 N ATOM 0 H ARG A 143 8.580 -1.334 3.298 1.00 0.00 H new ATOM 0 HA ARG A 143 7.213 1.182 2.635 1.00 0.00 H new ATOM 0 HB2 ARG A 143 8.813 1.881 4.725 1.00 0.00 H new ATOM 0 HB3 ARG A 143 7.205 1.206 4.903 1.00 0.00 H new ATOM 0 HG2 ARG A 143 8.762 -0.001 6.374 1.00 0.00 H new ATOM 0 HG3 ARG A 143 8.191 -1.089 5.125 1.00 0.00 H new ATOM 0 HD2 ARG A 143 10.279 -0.631 3.789 1.00 0.00 H new ATOM 0 HD3 ARG A 143 10.852 0.428 5.061 1.00 0.00 H new ATOM 0 HE ARG A 143 10.378 -2.554 5.448 1.00 0.00 H new ATOM 0 HH11 ARG A 143 10.579 -0.912 7.965 1.00 0.00 H new ATOM 0 HH12 ARG A 143 12.310 -0.978 8.316 1.00 0.00 H new ATOM 0 HH21 ARG A 143 13.178 -2.011 5.090 1.00 0.00 H new ATOM 0 HH22 ARG A 143 13.769 -1.595 6.702 1.00 0.00 H new ATOM 135 N LYS A 144 9.101 2.108 1.245 1.00 0.00 N ATOM 136 CA LYS A 144 10.199 2.810 0.522 1.00 0.00 C ATOM 137 C LYS A 144 9.585 3.702 -0.556 1.00 0.00 C ATOM 138 O LYS A 144 8.388 3.671 -0.783 1.00 0.00 O ATOM 139 CB LYS A 144 11.133 1.784 -0.127 1.00 0.00 C ATOM 140 CG LYS A 144 10.325 0.840 -1.023 1.00 0.00 C ATOM 141 CD LYS A 144 11.045 -0.507 -1.127 1.00 0.00 C ATOM 142 CE LYS A 144 11.895 -0.552 -2.402 1.00 0.00 C ATOM 143 NZ LYS A 144 11.383 -1.624 -3.301 1.00 0.00 N ATOM 0 H LYS A 144 8.177 2.218 0.828 1.00 0.00 H new ATOM 0 HA LYS A 144 10.774 3.416 1.222 1.00 0.00 H new ATOM 0 HB2 LYS A 144 11.896 2.294 -0.715 1.00 0.00 H new ATOM 0 HB3 LYS A 144 11.653 1.213 0.643 1.00 0.00 H new ATOM 0 HG2 LYS A 144 9.325 0.699 -0.613 1.00 0.00 H new ATOM 0 HG3 LYS A 144 10.204 1.277 -2.014 1.00 0.00 H new ATOM 0 HD2 LYS A 144 11.678 -0.658 -0.253 1.00 0.00 H new ATOM 0 HD3 LYS A 144 10.317 -1.318 -1.137 1.00 0.00 H new ATOM 0 HE2 LYS A 144 11.859 0.412 -2.910 1.00 0.00 H new ATOM 0 HE3 LYS A 144 12.938 -0.741 -2.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 11.959 -1.656 -4.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 11.439 -2.541 -2.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 10.393 -1.424 -3.551 1.00 0.00 H new ATOM 157 N THR A 145 10.385 4.492 -1.226 1.00 0.00 N ATOM 158 CA THR A 145 9.833 5.380 -2.291 1.00 0.00 C ATOM 159 C THR A 145 9.627 4.562 -3.564 1.00 0.00 C ATOM 160 O THR A 145 10.074 3.434 -3.662 1.00 0.00 O ATOM 161 CB THR A 145 10.804 6.532 -2.565 1.00 0.00 C ATOM 162 OG1 THR A 145 11.336 7.003 -1.335 1.00 0.00 O ATOM 163 CG2 THR A 145 10.064 7.669 -3.273 1.00 0.00 C ATOM 0 H THR A 145 11.392 4.560 -1.082 1.00 0.00 H new ATOM 0 HA THR A 145 8.880 5.795 -1.963 1.00 0.00 H new ATOM 0 HB THR A 145 11.616 6.180 -3.201 1.00 0.00 H new ATOM 0 HG1 THR A 145 11.959 7.739 -1.509 1.00 0.00 H new ATOM 0 HG21 THR A 145 10.756 8.488 -3.467 1.00 0.00 H new ATOM 0 HG22 THR A 145 9.657 7.306 -4.217 1.00 0.00 H new ATOM 0 HG23 THR A 145 9.251 8.024 -2.640 1.00 0.00 H new ATOM 171 N PHE A 146 8.923 5.105 -4.526 1.00 0.00 N ATOM 172 CA PHE A 146 8.655 4.335 -5.780 1.00 0.00 C ATOM 173 C PHE A 146 9.219 5.062 -7.002 1.00 0.00 C ATOM 174 O PHE A 146 8.588 5.125 -8.041 1.00 0.00 O ATOM 175 CB PHE A 146 7.140 4.175 -5.947 1.00 0.00 C ATOM 176 CG PHE A 146 6.505 3.751 -4.631 1.00 0.00 C ATOM 177 CD1 PHE A 146 7.144 2.814 -3.799 1.00 0.00 C ATOM 178 CD2 PHE A 146 5.281 4.305 -4.240 1.00 0.00 C ATOM 179 CE1 PHE A 146 6.560 2.439 -2.587 1.00 0.00 C ATOM 180 CE2 PHE A 146 4.699 3.925 -3.028 1.00 0.00 C ATOM 181 CZ PHE A 146 5.337 2.993 -2.200 1.00 0.00 C ATOM 0 H PHE A 146 8.524 6.043 -4.498 1.00 0.00 H new ATOM 0 HA PHE A 146 9.139 3.362 -5.704 1.00 0.00 H new ATOM 0 HB2 PHE A 146 6.703 5.115 -6.283 1.00 0.00 H new ATOM 0 HB3 PHE A 146 6.929 3.432 -6.716 1.00 0.00 H new ATOM 0 HD1 PHE A 146 8.088 2.384 -4.098 1.00 0.00 H new ATOM 0 HD2 PHE A 146 4.787 5.026 -4.875 1.00 0.00 H new ATOM 0 HE1 PHE A 146 7.054 1.721 -1.949 1.00 0.00 H new ATOM 0 HE2 PHE A 146 3.753 4.352 -2.728 1.00 0.00 H new ATOM 0 HZ PHE A 146 4.884 2.703 -1.263 1.00 0.00 H new ATOM 191 N LEU A 147 10.405 5.605 -6.896 1.00 0.00 N ATOM 192 CA LEU A 147 11.007 6.322 -8.061 1.00 0.00 C ATOM 193 C LEU A 147 10.056 7.430 -8.530 1.00 0.00 C ATOM 194 O LEU A 147 9.151 7.194 -9.305 1.00 0.00 O ATOM 195 CB LEU A 147 11.244 5.327 -9.205 1.00 0.00 C ATOM 196 CG LEU A 147 12.733 4.981 -9.289 1.00 0.00 C ATOM 197 CD1 LEU A 147 12.903 3.613 -9.952 1.00 0.00 C ATOM 198 CD2 LEU A 147 13.453 6.044 -10.121 1.00 0.00 C ATOM 0 H LEU A 147 10.982 5.583 -6.055 1.00 0.00 H new ATOM 0 HA LEU A 147 11.957 6.766 -7.764 1.00 0.00 H new ATOM 0 HB2 LEU A 147 10.659 4.422 -9.039 1.00 0.00 H new ATOM 0 HB3 LEU A 147 10.907 5.756 -10.149 1.00 0.00 H new ATOM 0 HG LEU A 147 13.158 4.952 -8.286 1.00 0.00 H new ATOM 0 HD11 LEU A 147 13.963 3.367 -10.012 1.00 0.00 H new ATOM 0 HD12 LEU A 147 12.387 2.856 -9.361 1.00 0.00 H new ATOM 0 HD13 LEU A 147 12.480 3.640 -10.956 1.00 0.00 H new ATOM 0 HD21 LEU A 147 14.514 5.801 -10.183 1.00 0.00 H new ATOM 0 HD22 LEU A 147 13.028 6.071 -11.124 1.00 0.00 H new ATOM 0 HD23 LEU A 147 13.331 7.019 -9.649 1.00 0.00 H new ATOM 210 N LYS A 148 10.254 8.622 -8.040 1.00 0.00 N ATOM 211 CA LYS A 148 9.377 9.771 -8.418 1.00 0.00 C ATOM 212 C LYS A 148 7.957 9.509 -7.917 1.00 0.00 C ATOM 213 O LYS A 148 7.601 8.389 -7.598 1.00 0.00 O ATOM 214 CB LYS A 148 9.369 9.968 -9.943 1.00 0.00 C ATOM 215 CG LYS A 148 10.533 10.874 -10.344 1.00 0.00 C ATOM 216 CD LYS A 148 11.737 10.016 -10.736 1.00 0.00 C ATOM 217 CE LYS A 148 13.001 10.880 -10.752 1.00 0.00 C ATOM 218 NZ LYS A 148 13.699 10.764 -9.440 1.00 0.00 N ATOM 0 H LYS A 148 10.998 8.854 -7.382 1.00 0.00 H new ATOM 0 HA LYS A 148 9.765 10.680 -7.958 1.00 0.00 H new ATOM 0 HB2 LYS A 148 9.454 9.005 -10.446 1.00 0.00 H new ATOM 0 HB3 LYS A 148 8.424 10.410 -10.259 1.00 0.00 H new ATOM 0 HG2 LYS A 148 10.241 11.512 -11.178 1.00 0.00 H new ATOM 0 HG3 LYS A 148 10.797 11.533 -9.517 1.00 0.00 H new ATOM 0 HD2 LYS A 148 11.855 9.194 -10.030 1.00 0.00 H new ATOM 0 HD3 LYS A 148 11.575 9.572 -11.718 1.00 0.00 H new ATOM 0 HE2 LYS A 148 13.662 10.561 -11.557 1.00 0.00 H new ATOM 0 HE3 LYS A 148 12.741 11.920 -10.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 14.558 11.351 -9.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 13.067 11.089 -8.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 13.960 9.771 -9.272 1.00 0.00 H new ATOM 232 N LEU A 149 7.155 10.538 -7.824 1.00 0.00 N ATOM 233 CA LEU A 149 5.768 10.369 -7.319 1.00 0.00 C ATOM 234 C LEU A 149 4.974 9.422 -8.225 1.00 0.00 C ATOM 235 O LEU A 149 5.190 9.348 -9.419 1.00 0.00 O ATOM 236 CB LEU A 149 5.079 11.735 -7.272 1.00 0.00 C ATOM 237 CG LEU A 149 5.105 12.382 -8.659 1.00 0.00 C ATOM 238 CD1 LEU A 149 3.772 12.135 -9.368 1.00 0.00 C ATOM 239 CD2 LEU A 149 5.329 13.891 -8.516 1.00 0.00 C ATOM 0 H LEU A 149 7.407 11.493 -8.079 1.00 0.00 H new ATOM 0 HA LEU A 149 5.807 9.938 -6.319 1.00 0.00 H new ATOM 0 HB2 LEU A 149 4.049 11.621 -6.934 1.00 0.00 H new ATOM 0 HB3 LEU A 149 5.581 12.380 -6.551 1.00 0.00 H new ATOM 0 HG LEU A 149 5.914 11.945 -9.244 1.00 0.00 H new ATOM 0 HD11 LEU A 149 3.794 12.597 -10.355 1.00 0.00 H new ATOM 0 HD12 LEU A 149 3.609 11.062 -9.473 1.00 0.00 H new ATOM 0 HD13 LEU A 149 2.962 12.570 -8.782 1.00 0.00 H new ATOM 0 HD21 LEU A 149 5.347 14.351 -9.504 1.00 0.00 H new ATOM 0 HD22 LEU A 149 4.520 14.325 -7.929 1.00 0.00 H new ATOM 0 HD23 LEU A 149 6.279 14.072 -8.014 1.00 0.00 H new ATOM 251 N ALA A 150 4.046 8.712 -7.645 1.00 0.00 N ATOM 252 CA ALA A 150 3.196 7.768 -8.417 1.00 0.00 C ATOM 253 C ALA A 150 1.732 8.239 -8.270 1.00 0.00 C ATOM 254 O ALA A 150 1.467 9.420 -8.407 1.00 0.00 O ATOM 255 CB ALA A 150 3.400 6.355 -7.852 1.00 0.00 C ATOM 0 H ALA A 150 3.839 8.749 -6.647 1.00 0.00 H new ATOM 0 HA ALA A 150 3.458 7.747 -9.475 1.00 0.00 H new ATOM 0 HB1 ALA A 150 2.783 5.649 -8.407 1.00 0.00 H new ATOM 0 HB2 ALA A 150 4.449 6.073 -7.946 1.00 0.00 H new ATOM 0 HB3 ALA A 150 3.113 6.339 -6.801 1.00 0.00 H new ATOM 261 N PHE A 151 0.780 7.369 -7.982 1.00 0.00 N ATOM 262 CA PHE A 151 -0.632 7.844 -7.829 1.00 0.00 C ATOM 263 C PHE A 151 -1.451 6.844 -7.004 1.00 0.00 C ATOM 264 O PHE A 151 -1.487 5.665 -7.298 1.00 0.00 O ATOM 265 CB PHE A 151 -1.272 7.993 -9.206 1.00 0.00 C ATOM 266 CG PHE A 151 -0.919 9.336 -9.801 1.00 0.00 C ATOM 267 CD1 PHE A 151 -1.608 10.484 -9.390 1.00 0.00 C ATOM 268 CD2 PHE A 151 0.089 9.435 -10.767 1.00 0.00 C ATOM 269 CE1 PHE A 151 -1.287 11.730 -9.943 1.00 0.00 C ATOM 270 CE2 PHE A 151 0.412 10.679 -11.320 1.00 0.00 C ATOM 271 CZ PHE A 151 -0.277 11.827 -10.908 1.00 0.00 C ATOM 0 H PHE A 151 0.922 6.368 -7.849 1.00 0.00 H new ATOM 0 HA PHE A 151 -0.620 8.805 -7.315 1.00 0.00 H new ATOM 0 HB2 PHE A 151 -0.929 7.194 -9.863 1.00 0.00 H new ATOM 0 HB3 PHE A 151 -2.355 7.896 -9.125 1.00 0.00 H new ATOM 0 HD1 PHE A 151 -2.387 10.408 -8.646 1.00 0.00 H new ATOM 0 HD2 PHE A 151 0.618 8.549 -11.086 1.00 0.00 H new ATOM 0 HE1 PHE A 151 -1.818 12.615 -9.625 1.00 0.00 H new ATOM 0 HE2 PHE A 151 1.192 10.754 -12.064 1.00 0.00 H new ATOM 0 HZ PHE A 151 -0.029 12.788 -11.335 1.00 0.00 H new ATOM 281 N CYS A 152 -2.109 7.313 -5.968 1.00 0.00 N ATOM 282 CA CYS A 152 -2.926 6.397 -5.111 1.00 0.00 C ATOM 283 C CYS A 152 -4.275 6.083 -5.747 1.00 0.00 C ATOM 284 O CYS A 152 -5.161 6.918 -5.784 1.00 0.00 O ATOM 285 CB CYS A 152 -3.215 7.046 -3.774 1.00 0.00 C ATOM 286 SG CYS A 152 -3.598 5.742 -2.581 1.00 0.00 S ATOM 0 H CYS A 152 -2.114 8.292 -5.680 1.00 0.00 H new ATOM 0 HA CYS A 152 -2.345 5.482 -4.994 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -2.355 7.626 -3.440 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -4.052 7.739 -3.861 1.00 0.00 H new ATOM 0 HG CYS A 152 -3.135 4.607 -3.015 1.00 0.00 H new ATOM 291 N ASP A 153 -4.454 4.870 -6.191 1.00 0.00 N ATOM 292 CA ASP A 153 -5.768 4.477 -6.789 1.00 0.00 C ATOM 293 C ASP A 153 -6.893 4.541 -5.729 1.00 0.00 C ATOM 294 O ASP A 153 -8.059 4.447 -6.061 1.00 0.00 O ATOM 295 CB ASP A 153 -5.666 3.051 -7.334 1.00 0.00 C ATOM 296 CG ASP A 153 -4.703 3.025 -8.522 1.00 0.00 C ATOM 297 OD1 ASP A 153 -4.733 3.962 -9.303 1.00 0.00 O ATOM 298 OD2 ASP A 153 -3.953 2.070 -8.631 1.00 0.00 O ATOM 0 H ASP A 153 -3.750 4.132 -6.167 1.00 0.00 H new ATOM 0 HA ASP A 153 -6.009 5.171 -7.594 1.00 0.00 H new ATOM 0 HB2 ASP A 153 -5.315 2.376 -6.553 1.00 0.00 H new ATOM 0 HB3 ASP A 153 -6.650 2.697 -7.642 1.00 0.00 H new ATOM 303 N ILE A 154 -6.559 4.684 -4.463 1.00 0.00 N ATOM 304 CA ILE A 154 -7.610 4.733 -3.392 1.00 0.00 C ATOM 305 C ILE A 154 -7.970 6.174 -3.048 1.00 0.00 C ATOM 306 O ILE A 154 -9.069 6.452 -2.600 1.00 0.00 O ATOM 307 CB ILE A 154 -7.047 4.089 -2.118 1.00 0.00 C ATOM 308 CG1 ILE A 154 -6.580 2.639 -2.448 1.00 0.00 C ATOM 309 CG2 ILE A 154 -8.088 4.147 -0.968 1.00 0.00 C ATOM 310 CD1 ILE A 154 -7.575 1.579 -1.943 1.00 0.00 C ATOM 0 H ILE A 154 -5.600 4.769 -4.126 1.00 0.00 H new ATOM 0 HA ILE A 154 -8.494 4.209 -3.756 1.00 0.00 H new ATOM 0 HB ILE A 154 -6.179 4.646 -1.764 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -6.457 2.535 -3.526 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -5.603 2.462 -1.997 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -7.669 3.685 -0.074 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -8.338 5.186 -0.756 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -8.989 3.610 -1.265 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -7.207 0.585 -2.196 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -7.678 1.663 -0.861 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -8.545 1.737 -2.414 1.00 0.00 H new ATOM 322 N CYS A 155 -7.037 7.071 -3.177 1.00 0.00 N ATOM 323 CA CYS A 155 -7.310 8.467 -2.769 1.00 0.00 C ATOM 324 C CYS A 155 -7.755 9.323 -3.956 1.00 0.00 C ATOM 325 O CYS A 155 -8.935 9.460 -4.197 1.00 0.00 O ATOM 326 CB CYS A 155 -6.058 9.005 -2.107 1.00 0.00 C ATOM 327 SG CYS A 155 -5.808 8.108 -0.542 1.00 0.00 S ATOM 0 H CYS A 155 -6.102 6.896 -3.546 1.00 0.00 H new ATOM 0 HA CYS A 155 -8.139 8.500 -2.062 1.00 0.00 H new ATOM 0 HB2 CYS A 155 -5.196 8.874 -2.761 1.00 0.00 H new ATOM 0 HB3 CYS A 155 -6.157 10.074 -1.920 1.00 0.00 H new ATOM 0 HG CYS A 155 -4.535 7.967 -0.321 1.00 0.00 H new ATOM 332 N GLN A 156 -6.836 9.893 -4.698 1.00 0.00 N ATOM 333 CA GLN A 156 -7.219 10.748 -5.878 1.00 0.00 C ATOM 334 C GLN A 156 -5.999 11.498 -6.428 1.00 0.00 C ATOM 335 O GLN A 156 -6.005 11.919 -7.571 1.00 0.00 O ATOM 336 CB GLN A 156 -8.297 11.783 -5.489 1.00 0.00 C ATOM 337 CG GLN A 156 -9.671 11.325 -5.992 1.00 0.00 C ATOM 338 CD GLN A 156 -9.998 12.025 -7.311 1.00 0.00 C ATOM 339 OE1 GLN A 156 -9.775 13.211 -7.456 1.00 0.00 O ATOM 340 NE2 GLN A 156 -10.522 11.337 -8.289 1.00 0.00 N ATOM 0 H GLN A 156 -5.832 9.805 -4.540 1.00 0.00 H new ATOM 0 HA GLN A 156 -7.616 10.080 -6.642 1.00 0.00 H new ATOM 0 HB2 GLN A 156 -8.320 11.907 -4.406 1.00 0.00 H new ATOM 0 HB3 GLN A 156 -8.050 12.755 -5.916 1.00 0.00 H new ATOM 0 HG2 GLN A 156 -9.676 10.244 -6.132 1.00 0.00 H new ATOM 0 HG3 GLN A 156 -10.435 11.553 -5.249 1.00 0.00 H new ATOM 0 HE21 GLN A 156 -10.710 10.342 -8.169 1.00 0.00 H new ATOM 0 HE22 GLN A 156 -10.744 11.795 -9.173 1.00 0.00 H new ATOM 349 N LYS A 157 -4.967 11.689 -5.640 1.00 0.00 N ATOM 350 CA LYS A 157 -3.783 12.431 -6.146 1.00 0.00 C ATOM 351 C LYS A 157 -2.560 11.522 -6.106 1.00 0.00 C ATOM 352 O LYS A 157 -2.648 10.365 -5.765 1.00 0.00 O ATOM 353 CB LYS A 157 -3.534 13.659 -5.264 1.00 0.00 C ATOM 354 CG LYS A 157 -4.817 14.494 -5.154 1.00 0.00 C ATOM 355 CD LYS A 157 -5.016 14.945 -3.705 1.00 0.00 C ATOM 356 CE LYS A 157 -6.496 15.238 -3.455 1.00 0.00 C ATOM 357 NZ LYS A 157 -6.848 14.858 -2.058 1.00 0.00 N ATOM 0 H LYS A 157 -4.899 11.363 -4.676 1.00 0.00 H new ATOM 0 HA LYS A 157 -3.966 12.751 -7.172 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -3.208 13.345 -4.272 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -2.732 14.264 -5.686 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -4.755 15.362 -5.810 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -5.674 13.907 -5.483 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -4.668 14.170 -3.022 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -4.420 15.836 -3.506 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -6.701 16.296 -3.618 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -7.112 14.681 -4.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -7.854 15.057 -1.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -6.667 13.843 -1.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -6.269 15.408 -1.392 1.00 0.00 H new ATOM 371 N PHE A 158 -1.433 12.053 -6.479 1.00 0.00 N ATOM 372 CA PHE A 158 -0.153 11.277 -6.514 1.00 0.00 C ATOM 373 C PHE A 158 0.028 10.353 -5.282 1.00 0.00 C ATOM 374 O PHE A 158 -0.669 10.451 -4.291 1.00 0.00 O ATOM 375 CB PHE A 158 1.000 12.299 -6.544 1.00 0.00 C ATOM 376 CG PHE A 158 1.160 12.898 -5.163 1.00 0.00 C ATOM 377 CD1 PHE A 158 0.144 13.695 -4.627 1.00 0.00 C ATOM 378 CD2 PHE A 158 2.290 12.595 -4.403 1.00 0.00 C ATOM 379 CE1 PHE A 158 0.263 14.200 -3.332 1.00 0.00 C ATOM 380 CE2 PHE A 158 2.409 13.092 -3.104 1.00 0.00 C ATOM 381 CZ PHE A 158 1.395 13.897 -2.565 1.00 0.00 C ATOM 0 H PHE A 158 -1.338 13.025 -6.772 1.00 0.00 H new ATOM 0 HA PHE A 158 -0.164 10.632 -7.393 1.00 0.00 H new ATOM 0 HB2 PHE A 158 1.926 11.814 -6.854 1.00 0.00 H new ATOM 0 HB3 PHE A 158 0.791 13.082 -7.273 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -0.733 13.920 -5.216 1.00 0.00 H new ATOM 0 HD2 PHE A 158 3.072 11.977 -4.819 1.00 0.00 H new ATOM 0 HE1 PHE A 158 -0.517 14.824 -2.921 1.00 0.00 H new ATOM 0 HE2 PHE A 158 3.282 12.856 -2.514 1.00 0.00 H new ATOM 0 HZ PHE A 158 1.487 14.283 -1.560 1.00 0.00 H new ATOM 391 N LEU A 159 1.020 9.511 -5.350 1.00 0.00 N ATOM 392 CA LEU A 159 1.365 8.604 -4.212 1.00 0.00 C ATOM 393 C LEU A 159 2.796 8.965 -3.792 1.00 0.00 C ATOM 394 O LEU A 159 3.607 9.327 -4.619 1.00 0.00 O ATOM 395 CB LEU A 159 1.314 7.145 -4.710 1.00 0.00 C ATOM 396 CG LEU A 159 1.055 6.137 -3.569 1.00 0.00 C ATOM 397 CD1 LEU A 159 2.118 6.246 -2.484 1.00 0.00 C ATOM 398 CD2 LEU A 159 -0.315 6.367 -2.941 1.00 0.00 C ATOM 0 H LEU A 159 1.623 9.409 -6.166 1.00 0.00 H new ATOM 0 HA LEU A 159 0.674 8.712 -3.376 1.00 0.00 H new ATOM 0 HB2 LEU A 159 0.529 7.048 -5.460 1.00 0.00 H new ATOM 0 HB3 LEU A 159 2.256 6.899 -5.200 1.00 0.00 H new ATOM 0 HG LEU A 159 1.092 5.140 -4.008 1.00 0.00 H new ATOM 0 HD11 LEU A 159 1.908 5.524 -1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 159 3.098 6.040 -2.913 1.00 0.00 H new ATOM 0 HD13 LEU A 159 2.109 7.253 -2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -0.474 5.645 -2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -0.364 7.377 -2.534 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -1.088 6.244 -3.699 1.00 0.00 H new ATOM 410 N LEU A 160 3.114 8.901 -2.529 1.00 0.00 N ATOM 411 CA LEU A 160 4.484 9.267 -2.087 1.00 0.00 C ATOM 412 C LEU A 160 5.142 8.058 -1.434 1.00 0.00 C ATOM 413 O LEU A 160 4.545 7.003 -1.330 1.00 0.00 O ATOM 414 CB LEU A 160 4.389 10.393 -1.060 1.00 0.00 C ATOM 415 CG LEU A 160 3.382 10.020 0.039 1.00 0.00 C ATOM 416 CD1 LEU A 160 3.922 10.456 1.403 1.00 0.00 C ATOM 417 CD2 LEU A 160 2.048 10.724 -0.226 1.00 0.00 C ATOM 0 H LEU A 160 2.481 8.610 -1.784 1.00 0.00 H new ATOM 0 HA LEU A 160 5.074 9.590 -2.945 1.00 0.00 H new ATOM 0 HB2 LEU A 160 5.369 10.578 -0.619 1.00 0.00 H new ATOM 0 HB3 LEU A 160 4.080 11.317 -1.549 1.00 0.00 H new ATOM 0 HG LEU A 160 3.232 8.940 0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 160 3.205 10.190 2.180 1.00 0.00 H new ATOM 0 HD12 LEU A 160 4.870 9.954 1.596 1.00 0.00 H new ATOM 0 HD13 LEU A 160 4.076 11.535 1.405 1.00 0.00 H new ATOM 0 HD21 LEU A 160 1.335 10.458 0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 160 2.200 11.803 -0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 160 1.658 10.412 -1.195 1.00 0.00 H new ATOM 429 N ASN A 161 6.372 8.197 -0.993 1.00 0.00 N ATOM 430 CA ASN A 161 7.079 7.047 -0.342 1.00 0.00 C ATOM 431 C ASN A 161 6.194 6.481 0.769 1.00 0.00 C ATOM 432 O ASN A 161 6.066 7.064 1.830 1.00 0.00 O ATOM 433 CB ASN A 161 8.409 7.522 0.250 1.00 0.00 C ATOM 434 CG ASN A 161 8.169 8.739 1.147 1.00 0.00 C ATOM 435 OD1 ASN A 161 7.954 8.599 2.335 1.00 0.00 O ATOM 436 ND2 ASN A 161 8.199 9.935 0.626 1.00 0.00 N ATOM 0 H ASN A 161 6.916 9.057 -1.056 1.00 0.00 H new ATOM 0 HA ASN A 161 7.278 6.274 -1.084 1.00 0.00 H new ATOM 0 HB2 ASN A 161 8.869 6.719 0.826 1.00 0.00 H new ATOM 0 HB3 ASN A 161 9.103 7.779 -0.550 1.00 0.00 H new ATOM 0 HD21 ASN A 161 8.042 10.752 1.216 1.00 0.00 H new ATOM 0 HD22 ASN A 161 8.379 10.053 -0.371 1.00 0.00 H new ATOM 443 N GLY A 162 5.561 5.367 0.513 1.00 0.00 N ATOM 444 CA GLY A 162 4.654 4.778 1.539 1.00 0.00 C ATOM 445 C GLY A 162 4.783 3.261 1.545 1.00 0.00 C ATOM 446 O GLY A 162 5.656 2.709 2.187 1.00 0.00 O ATOM 0 H GLY A 162 5.633 4.842 -0.359 1.00 0.00 H new ATOM 0 HA2 GLY A 162 4.900 5.175 2.524 1.00 0.00 H new ATOM 0 HA3 GLY A 162 3.623 5.062 1.329 1.00 0.00 H new ATOM 450 N PHE A 163 3.913 2.584 0.843 1.00 0.00 N ATOM 451 CA PHE A 163 3.976 1.098 0.813 1.00 0.00 C ATOM 452 C PHE A 163 3.514 0.576 -0.554 1.00 0.00 C ATOM 453 O PHE A 163 2.382 0.790 -0.963 1.00 0.00 O ATOM 454 CB PHE A 163 3.056 0.536 1.901 1.00 0.00 C ATOM 455 CG PHE A 163 3.852 0.241 3.152 1.00 0.00 C ATOM 456 CD1 PHE A 163 4.848 -0.743 3.134 1.00 0.00 C ATOM 457 CD2 PHE A 163 3.587 0.948 4.331 1.00 0.00 C ATOM 458 CE1 PHE A 163 5.578 -1.021 4.295 1.00 0.00 C ATOM 459 CE2 PHE A 163 4.318 0.670 5.492 1.00 0.00 C ATOM 460 CZ PHE A 163 5.314 -0.313 5.475 1.00 0.00 C ATOM 0 H PHE A 163 3.163 2.998 0.290 1.00 0.00 H new ATOM 0 HA PHE A 163 5.004 0.780 0.988 1.00 0.00 H new ATOM 0 HB2 PHE A 163 2.265 1.251 2.124 1.00 0.00 H new ATOM 0 HB3 PHE A 163 2.572 -0.374 1.545 1.00 0.00 H new ATOM 0 HD1 PHE A 163 5.053 -1.287 2.224 1.00 0.00 H new ATOM 0 HD2 PHE A 163 2.819 1.707 4.345 1.00 0.00 H new ATOM 0 HE1 PHE A 163 6.345 -1.781 4.282 1.00 0.00 H new ATOM 0 HE2 PHE A 163 4.113 1.215 6.402 1.00 0.00 H new ATOM 0 HZ PHE A 163 5.879 -0.526 6.371 1.00 0.00 H new ATOM 470 N ARG A 164 4.383 -0.117 -1.254 1.00 0.00 N ATOM 471 CA ARG A 164 4.001 -0.681 -2.589 1.00 0.00 C ATOM 472 C ARG A 164 4.112 -2.208 -2.563 1.00 0.00 C ATOM 473 O ARG A 164 5.045 -2.768 -2.021 1.00 0.00 O ATOM 474 CB ARG A 164 4.958 -0.191 -3.693 1.00 0.00 C ATOM 475 CG ARG A 164 4.334 0.962 -4.489 1.00 0.00 C ATOM 476 CD ARG A 164 4.300 0.599 -5.984 1.00 0.00 C ATOM 477 NE ARG A 164 5.692 0.546 -6.515 1.00 0.00 N ATOM 478 CZ ARG A 164 5.905 0.170 -7.746 1.00 0.00 C ATOM 479 NH1 ARG A 164 5.158 0.638 -8.708 1.00 0.00 N ATOM 480 NH2 ARG A 164 6.865 -0.673 -8.015 1.00 0.00 N ATOM 0 H ARG A 164 5.339 -0.316 -0.959 1.00 0.00 H new ATOM 0 HA ARG A 164 2.981 -0.355 -2.795 1.00 0.00 H new ATOM 0 HB2 ARG A 164 5.897 0.137 -3.246 1.00 0.00 H new ATOM 0 HB3 ARG A 164 5.196 -1.015 -4.366 1.00 0.00 H new ATOM 0 HG2 ARG A 164 3.324 1.161 -4.130 1.00 0.00 H new ATOM 0 HG3 ARG A 164 4.911 1.875 -4.339 1.00 0.00 H new ATOM 0 HD2 ARG A 164 3.809 -0.364 -6.124 1.00 0.00 H new ATOM 0 HD3 ARG A 164 3.717 1.337 -6.535 1.00 0.00 H new ATOM 0 HE ARG A 164 6.477 0.803 -5.917 1.00 0.00 H new ATOM 0 HH11 ARG A 164 4.409 1.297 -8.497 1.00 0.00 H new ATOM 0 HH12 ARG A 164 5.324 0.345 -9.671 1.00 0.00 H new ATOM 0 HH21 ARG A 164 7.449 -1.038 -7.263 1.00 0.00 H new ATOM 0 HH22 ARG A 164 7.031 -0.967 -8.978 1.00 0.00 H new ATOM 494 N CYS A 165 3.198 -2.870 -3.215 1.00 0.00 N ATOM 495 CA CYS A 165 3.265 -4.350 -3.323 1.00 0.00 C ATOM 496 C CYS A 165 4.172 -4.622 -4.526 1.00 0.00 C ATOM 497 O CYS A 165 3.908 -4.141 -5.613 1.00 0.00 O ATOM 498 CB CYS A 165 1.844 -4.894 -3.557 1.00 0.00 C ATOM 499 SG CYS A 165 1.852 -6.668 -3.981 1.00 0.00 S ATOM 0 H CYS A 165 2.399 -2.442 -3.682 1.00 0.00 H new ATOM 0 HA CYS A 165 3.654 -4.832 -2.426 1.00 0.00 H new ATOM 0 HB2 CYS A 165 1.244 -4.738 -2.660 1.00 0.00 H new ATOM 0 HB3 CYS A 165 1.368 -4.331 -4.360 1.00 0.00 H new ATOM 0 HG CYS A 165 0.759 -6.967 -4.618 1.00 0.00 H new ATOM 504 N GLN A 166 5.258 -5.338 -4.330 1.00 0.00 N ATOM 505 CA GLN A 166 6.217 -5.597 -5.453 1.00 0.00 C ATOM 506 C GLN A 166 5.815 -6.839 -6.261 1.00 0.00 C ATOM 507 O GLN A 166 6.602 -7.364 -7.026 1.00 0.00 O ATOM 508 CB GLN A 166 7.618 -5.805 -4.877 1.00 0.00 C ATOM 509 CG GLN A 166 8.345 -4.462 -4.804 1.00 0.00 C ATOM 510 CD GLN A 166 8.906 -4.110 -6.182 1.00 0.00 C ATOM 511 OE1 GLN A 166 8.176 -4.052 -7.152 1.00 0.00 O ATOM 512 NE2 GLN A 166 10.182 -3.869 -6.311 1.00 0.00 N ATOM 0 H GLN A 166 5.521 -5.755 -3.437 1.00 0.00 H new ATOM 0 HA GLN A 166 6.200 -4.736 -6.121 1.00 0.00 H new ATOM 0 HB2 GLN A 166 7.552 -6.249 -3.884 1.00 0.00 H new ATOM 0 HB3 GLN A 166 8.179 -6.501 -5.501 1.00 0.00 H new ATOM 0 HG2 GLN A 166 7.660 -3.683 -4.469 1.00 0.00 H new ATOM 0 HG3 GLN A 166 9.152 -4.513 -4.073 1.00 0.00 H new ATOM 0 HE21 GLN A 166 10.795 -3.918 -5.497 1.00 0.00 H new ATOM 0 HE22 GLN A 166 10.566 -3.632 -7.226 1.00 0.00 H new ATOM 521 N THR A 167 4.604 -7.302 -6.113 1.00 0.00 N ATOM 522 CA THR A 167 4.148 -8.497 -6.878 1.00 0.00 C ATOM 523 C THR A 167 3.028 -8.071 -7.833 1.00 0.00 C ATOM 524 O THR A 167 2.893 -8.593 -8.923 1.00 0.00 O ATOM 525 CB THR A 167 3.618 -9.567 -5.912 1.00 0.00 C ATOM 526 OG1 THR A 167 3.479 -9.019 -4.607 1.00 0.00 O ATOM 527 CG2 THR A 167 4.588 -10.751 -5.866 1.00 0.00 C ATOM 0 H THR A 167 3.905 -6.900 -5.489 1.00 0.00 H new ATOM 0 HA THR A 167 4.984 -8.913 -7.441 1.00 0.00 H new ATOM 0 HB THR A 167 2.645 -9.908 -6.264 1.00 0.00 H new ATOM 0 HG1 THR A 167 2.700 -8.425 -4.583 1.00 0.00 H new ATOM 0 HG21 THR A 167 4.207 -11.507 -5.179 1.00 0.00 H new ATOM 0 HG22 THR A 167 4.684 -11.182 -6.863 1.00 0.00 H new ATOM 0 HG23 THR A 167 5.564 -10.408 -5.523 1.00 0.00 H new ATOM 535 N CYS A 168 2.234 -7.115 -7.425 1.00 0.00 N ATOM 536 CA CYS A 168 1.127 -6.627 -8.287 1.00 0.00 C ATOM 537 C CYS A 168 1.409 -5.179 -8.711 1.00 0.00 C ATOM 538 O CYS A 168 0.797 -4.673 -9.633 1.00 0.00 O ATOM 539 CB CYS A 168 -0.199 -6.703 -7.520 1.00 0.00 C ATOM 540 SG CYS A 168 -0.082 -5.790 -5.954 1.00 0.00 S ATOM 0 H CYS A 168 2.310 -6.649 -6.521 1.00 0.00 H new ATOM 0 HA CYS A 168 1.056 -7.253 -9.177 1.00 0.00 H new ATOM 0 HB2 CYS A 168 -1.003 -6.290 -8.130 1.00 0.00 H new ATOM 0 HB3 CYS A 168 -0.452 -7.745 -7.322 1.00 0.00 H new ATOM 0 HG CYS A 168 1.076 -6.014 -5.407 1.00 0.00 H new ATOM 545 N GLY A 169 2.332 -4.504 -8.052 1.00 0.00 N ATOM 546 CA GLY A 169 2.641 -3.098 -8.433 1.00 0.00 C ATOM 547 C GLY A 169 1.559 -2.183 -7.876 1.00 0.00 C ATOM 548 O GLY A 169 0.994 -1.373 -8.589 1.00 0.00 O ATOM 0 H GLY A 169 2.877 -4.872 -7.272 1.00 0.00 H new ATOM 0 HA2 GLY A 169 3.617 -2.808 -8.043 1.00 0.00 H new ATOM 0 HA3 GLY A 169 2.691 -3.004 -9.518 1.00 0.00 H new ATOM 552 N TYR A 170 1.269 -2.302 -6.605 1.00 0.00 N ATOM 553 CA TYR A 170 0.219 -1.426 -5.999 1.00 0.00 C ATOM 554 C TYR A 170 0.904 -0.359 -5.156 1.00 0.00 C ATOM 555 O TYR A 170 2.051 -0.500 -4.804 1.00 0.00 O ATOM 556 CB TYR A 170 -0.723 -2.253 -5.120 1.00 0.00 C ATOM 557 CG TYR A 170 -2.135 -1.742 -5.272 1.00 0.00 C ATOM 558 CD1 TYR A 170 -2.737 -1.724 -6.535 1.00 0.00 C ATOM 559 CD2 TYR A 170 -2.840 -1.283 -4.152 1.00 0.00 C ATOM 560 CE1 TYR A 170 -4.044 -1.249 -6.680 1.00 0.00 C ATOM 561 CE2 TYR A 170 -4.149 -0.807 -4.298 1.00 0.00 C ATOM 562 CZ TYR A 170 -4.752 -0.791 -5.562 1.00 0.00 C ATOM 563 OH TYR A 170 -6.042 -0.321 -5.706 1.00 0.00 O ATOM 0 H TYR A 170 1.710 -2.962 -5.964 1.00 0.00 H new ATOM 0 HA TYR A 170 -0.369 -0.961 -6.790 1.00 0.00 H new ATOM 0 HB2 TYR A 170 -0.673 -3.304 -5.404 1.00 0.00 H new ATOM 0 HB3 TYR A 170 -0.413 -2.190 -4.077 1.00 0.00 H new ATOM 0 HD1 TYR A 170 -2.192 -2.077 -7.398 1.00 0.00 H new ATOM 0 HD2 TYR A 170 -2.375 -1.296 -3.177 1.00 0.00 H new ATOM 0 HE1 TYR A 170 -4.508 -1.235 -7.655 1.00 0.00 H new ATOM 0 HE2 TYR A 170 -4.694 -0.452 -3.436 1.00 0.00 H new ATOM 0 HH TYR A 170 -6.388 -0.043 -4.832 1.00 0.00 H new ATOM 573 N LYS A 171 0.211 0.704 -4.834 1.00 0.00 N ATOM 574 CA LYS A 171 0.836 1.786 -4.014 1.00 0.00 C ATOM 575 C LYS A 171 -0.257 2.526 -3.254 1.00 0.00 C ATOM 576 O LYS A 171 -1.289 2.847 -3.817 1.00 0.00 O ATOM 577 CB LYS A 171 1.591 2.761 -4.933 1.00 0.00 C ATOM 578 CG LYS A 171 0.651 3.396 -5.969 1.00 0.00 C ATOM 579 CD LYS A 171 0.378 2.390 -7.087 1.00 0.00 C ATOM 580 CE LYS A 171 0.151 3.131 -8.405 1.00 0.00 C ATOM 581 NZ LYS A 171 0.583 2.264 -9.537 1.00 0.00 N ATOM 0 H LYS A 171 -0.759 0.869 -5.103 1.00 0.00 H new ATOM 0 HA LYS A 171 1.542 1.353 -3.305 1.00 0.00 H new ATOM 0 HB2 LYS A 171 2.055 3.543 -4.333 1.00 0.00 H new ATOM 0 HB3 LYS A 171 2.395 2.232 -5.445 1.00 0.00 H new ATOM 0 HG2 LYS A 171 -0.284 3.693 -5.495 1.00 0.00 H new ATOM 0 HG3 LYS A 171 1.101 4.300 -6.379 1.00 0.00 H new ATOM 0 HD2 LYS A 171 1.219 1.704 -7.185 1.00 0.00 H new ATOM 0 HD3 LYS A 171 -0.497 1.788 -6.842 1.00 0.00 H new ATOM 0 HE2 LYS A 171 -0.902 3.392 -8.512 1.00 0.00 H new ATOM 0 HE3 LYS A 171 0.713 4.065 -8.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 0.430 2.765 -10.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 1.593 2.037 -9.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 0.028 1.384 -9.532 1.00 0.00 H new ATOM 595 N PHE A 172 -0.068 2.790 -1.975 1.00 0.00 N ATOM 596 CA PHE A 172 -1.151 3.504 -1.233 1.00 0.00 C ATOM 597 C PHE A 172 -0.699 3.988 0.171 1.00 0.00 C ATOM 598 O PHE A 172 0.166 3.413 0.800 1.00 0.00 O ATOM 599 CB PHE A 172 -2.377 2.574 -1.179 1.00 0.00 C ATOM 600 CG PHE A 172 -2.224 1.480 -0.142 1.00 0.00 C ATOM 601 CD1 PHE A 172 -2.353 1.777 1.214 1.00 0.00 C ATOM 602 CD2 PHE A 172 -1.993 0.164 -0.550 1.00 0.00 C ATOM 603 CE1 PHE A 172 -2.241 0.768 2.170 1.00 0.00 C ATOM 604 CE2 PHE A 172 -1.885 -0.852 0.403 1.00 0.00 C ATOM 605 CZ PHE A 172 -2.007 -0.551 1.766 1.00 0.00 C ATOM 0 H PHE A 172 0.762 2.549 -1.434 1.00 0.00 H new ATOM 0 HA PHE A 172 -1.413 4.421 -1.761 1.00 0.00 H new ATOM 0 HB2 PHE A 172 -3.267 3.162 -0.955 1.00 0.00 H new ATOM 0 HB3 PHE A 172 -2.532 2.123 -2.159 1.00 0.00 H new ATOM 0 HD1 PHE A 172 -2.541 2.794 1.526 1.00 0.00 H new ATOM 0 HD2 PHE A 172 -1.898 -0.068 -1.601 1.00 0.00 H new ATOM 0 HE1 PHE A 172 -2.335 1.004 3.220 1.00 0.00 H new ATOM 0 HE2 PHE A 172 -1.707 -1.870 0.089 1.00 0.00 H new ATOM 0 HZ PHE A 172 -1.921 -1.335 2.503 1.00 0.00 H new ATOM 615 N HIS A 173 -1.281 5.084 0.625 1.00 0.00 N ATOM 616 CA HIS A 173 -0.917 5.704 1.957 1.00 0.00 C ATOM 617 C HIS A 173 -1.637 4.991 3.152 1.00 0.00 C ATOM 618 O HIS A 173 -1.720 3.784 3.191 1.00 0.00 O ATOM 619 CB HIS A 173 -1.293 7.208 1.961 1.00 0.00 C ATOM 620 CG HIS A 173 -1.338 7.802 0.605 1.00 0.00 C ATOM 621 ND1 HIS A 173 -2.515 7.835 -0.150 1.00 0.00 N ATOM 622 CD2 HIS A 173 -0.402 8.479 -0.094 1.00 0.00 C ATOM 623 CE1 HIS A 173 -2.219 8.548 -1.244 1.00 0.00 C ATOM 624 NE2 HIS A 173 -0.943 8.954 -1.249 1.00 0.00 N ATOM 0 H HIS A 173 -2.009 5.587 0.118 1.00 0.00 H new ATOM 0 HA HIS A 173 0.158 5.584 2.088 1.00 0.00 H new ATOM 0 HB2 HIS A 173 -2.266 7.331 2.437 1.00 0.00 H new ATOM 0 HB3 HIS A 173 -0.570 7.755 2.566 1.00 0.00 H new ATOM 0 HD2 HIS A 173 0.622 8.622 0.217 1.00 0.00 H new ATOM 0 HE1 HIS A 173 -2.926 8.770 -2.030 1.00 0.00 H new ATOM 0 HE2 HIS A 173 -0.474 9.504 -1.968 1.00 0.00 H new ATOM 632 N GLU A 174 -2.124 5.731 4.156 1.00 0.00 N ATOM 633 CA GLU A 174 -2.797 5.091 5.335 1.00 0.00 C ATOM 634 C GLU A 174 -4.321 4.988 5.116 1.00 0.00 C ATOM 635 O GLU A 174 -4.991 4.220 5.779 1.00 0.00 O ATOM 636 CB GLU A 174 -2.519 5.927 6.590 1.00 0.00 C ATOM 637 CG GLU A 174 -3.048 7.359 6.398 1.00 0.00 C ATOM 638 CD GLU A 174 -1.951 8.371 6.741 1.00 0.00 C ATOM 639 OE1 GLU A 174 -1.286 8.176 7.746 1.00 0.00 O ATOM 640 OE2 GLU A 174 -1.795 9.322 5.993 1.00 0.00 O ATOM 0 H GLU A 174 -2.076 6.749 4.194 1.00 0.00 H new ATOM 0 HA GLU A 174 -2.399 4.084 5.456 1.00 0.00 H new ATOM 0 HB2 GLU A 174 -2.996 5.468 7.456 1.00 0.00 H new ATOM 0 HB3 GLU A 174 -1.448 5.950 6.791 1.00 0.00 H new ATOM 0 HG2 GLU A 174 -3.375 7.500 5.368 1.00 0.00 H new ATOM 0 HG3 GLU A 174 -3.918 7.523 7.034 1.00 0.00 H new ATOM 647 N HIS A 175 -4.871 5.730 4.177 1.00 0.00 N ATOM 648 CA HIS A 175 -6.348 5.650 3.893 1.00 0.00 C ATOM 649 C HIS A 175 -6.615 4.503 2.930 1.00 0.00 C ATOM 650 O HIS A 175 -7.579 4.534 2.176 1.00 0.00 O ATOM 651 CB HIS A 175 -6.773 6.911 3.147 1.00 0.00 C ATOM 652 CG HIS A 175 -6.714 8.103 4.064 1.00 0.00 C ATOM 653 ND1 HIS A 175 -5.611 8.347 4.900 1.00 0.00 N ATOM 654 CD2 HIS A 175 -7.594 9.129 4.292 1.00 0.00 C ATOM 655 CE1 HIS A 175 -5.880 9.480 5.571 1.00 0.00 C ATOM 656 NE2 HIS A 175 -7.071 9.985 5.231 1.00 0.00 N ATOM 0 H HIS A 175 -4.359 6.391 3.592 1.00 0.00 H new ATOM 0 HA HIS A 175 -6.880 5.523 4.836 1.00 0.00 H new ATOM 0 HB2 HIS A 175 -6.121 7.071 2.288 1.00 0.00 H new ATOM 0 HB3 HIS A 175 -7.785 6.790 2.761 1.00 0.00 H new ATOM 0 HD2 HIS A 175 -8.552 9.247 3.808 1.00 0.00 H new ATOM 0 HE1 HIS A 175 -5.216 9.928 6.296 1.00 0.00 H new ATOM 0 HE2 HIS A 175 -7.504 10.834 5.595 1.00 0.00 H new ATOM 664 N CYS A 176 -5.722 3.561 2.842 1.00 0.00 N ATOM 665 CA CYS A 176 -5.867 2.530 1.822 1.00 0.00 C ATOM 666 C CYS A 176 -5.231 1.218 2.285 1.00 0.00 C ATOM 667 O CYS A 176 -4.836 0.398 1.481 1.00 0.00 O ATOM 668 CB CYS A 176 -5.177 3.071 0.547 1.00 0.00 C ATOM 669 SG CYS A 176 -4.276 4.671 0.841 1.00 0.00 S ATOM 0 H CYS A 176 -4.901 3.473 3.441 1.00 0.00 H new ATOM 0 HA CYS A 176 -6.917 2.312 1.627 1.00 0.00 H new ATOM 0 HB2 CYS A 176 -4.474 2.326 0.176 1.00 0.00 H new ATOM 0 HB3 CYS A 176 -5.926 3.218 -0.231 1.00 0.00 H new ATOM 0 HG CYS A 176 -3.963 5.209 -0.300 1.00 0.00 H new ATOM 674 N SER A 177 -5.153 1.008 3.577 1.00 0.00 N ATOM 675 CA SER A 177 -4.564 -0.257 4.100 1.00 0.00 C ATOM 676 C SER A 177 -5.690 -1.246 4.410 1.00 0.00 C ATOM 677 O SER A 177 -5.725 -2.344 3.886 1.00 0.00 O ATOM 678 CB SER A 177 -3.776 0.036 5.378 1.00 0.00 C ATOM 679 OG SER A 177 -3.208 1.338 5.289 1.00 0.00 O ATOM 0 H SER A 177 -5.474 1.662 4.291 1.00 0.00 H new ATOM 0 HA SER A 177 -3.895 -0.685 3.354 1.00 0.00 H new ATOM 0 HB2 SER A 177 -4.431 -0.029 6.247 1.00 0.00 H new ATOM 0 HB3 SER A 177 -2.991 -0.708 5.514 1.00 0.00 H new ATOM 0 HG SER A 177 -2.703 1.531 6.106 1.00 0.00 H new ATOM 685 N THR A 178 -6.613 -0.859 5.252 1.00 0.00 N ATOM 686 CA THR A 178 -7.748 -1.764 5.597 1.00 0.00 C ATOM 687 C THR A 178 -8.793 -1.719 4.479 1.00 0.00 C ATOM 688 O THR A 178 -9.500 -2.682 4.242 1.00 0.00 O ATOM 689 CB THR A 178 -8.388 -1.309 6.910 1.00 0.00 C ATOM 690 OG1 THR A 178 -7.367 -1.009 7.854 1.00 0.00 O ATOM 691 CG2 THR A 178 -9.282 -2.424 7.457 1.00 0.00 C ATOM 0 H THR A 178 -6.629 0.049 5.717 1.00 0.00 H new ATOM 0 HA THR A 178 -7.377 -2.783 5.710 1.00 0.00 H new ATOM 0 HB THR A 178 -8.991 -0.418 6.732 1.00 0.00 H new ATOM 0 HG1 THR A 178 -7.775 -0.716 8.695 1.00 0.00 H new ATOM 0 HG21 THR A 178 -9.738 -2.099 8.392 1.00 0.00 H new ATOM 0 HG22 THR A 178 -10.064 -2.652 6.733 1.00 0.00 H new ATOM 0 HG23 THR A 178 -8.682 -3.316 7.636 1.00 0.00 H new ATOM 699 N LYS A 179 -8.892 -0.609 3.789 1.00 0.00 N ATOM 700 CA LYS A 179 -9.886 -0.494 2.679 1.00 0.00 C ATOM 701 C LYS A 179 -9.579 -1.545 1.606 1.00 0.00 C ATOM 702 O LYS A 179 -10.463 -2.012 0.912 1.00 0.00 O ATOM 703 CB LYS A 179 -9.806 0.912 2.069 1.00 0.00 C ATOM 704 CG LYS A 179 -11.216 1.471 1.860 1.00 0.00 C ATOM 705 CD LYS A 179 -11.922 0.682 0.755 1.00 0.00 C ATOM 706 CE LYS A 179 -12.932 1.586 0.047 1.00 0.00 C ATOM 707 NZ LYS A 179 -14.104 0.775 -0.392 1.00 0.00 N ATOM 0 H LYS A 179 -8.325 0.224 3.948 1.00 0.00 H new ATOM 0 HA LYS A 179 -10.891 -0.662 3.067 1.00 0.00 H new ATOM 0 HB2 LYS A 179 -9.238 1.571 2.726 1.00 0.00 H new ATOM 0 HB3 LYS A 179 -9.275 0.875 1.118 1.00 0.00 H new ATOM 0 HG2 LYS A 179 -11.785 1.406 2.787 1.00 0.00 H new ATOM 0 HG3 LYS A 179 -11.164 2.526 1.591 1.00 0.00 H new ATOM 0 HD2 LYS A 179 -11.191 0.305 0.039 1.00 0.00 H new ATOM 0 HD3 LYS A 179 -12.429 -0.185 1.180 1.00 0.00 H new ATOM 0 HE2 LYS A 179 -13.257 2.381 0.718 1.00 0.00 H new ATOM 0 HE3 LYS A 179 -12.466 2.066 -0.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 179 -14.791 1.390 -0.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 179 -13.786 0.032 -1.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 179 -14.553 0.337 0.437 1.00 0.00 H new ATOM 721 N VAL A 180 -8.332 -1.926 1.475 1.00 0.00 N ATOM 722 CA VAL A 180 -7.951 -2.950 0.458 1.00 0.00 C ATOM 723 C VAL A 180 -8.681 -4.272 0.779 1.00 0.00 C ATOM 724 O VAL A 180 -8.817 -4.615 1.937 1.00 0.00 O ATOM 725 CB VAL A 180 -6.432 -3.165 0.519 1.00 0.00 C ATOM 726 CG1 VAL A 180 -5.999 -4.221 -0.501 1.00 0.00 C ATOM 727 CG2 VAL A 180 -5.727 -1.845 0.203 1.00 0.00 C ATOM 0 H VAL A 180 -7.558 -1.568 2.034 1.00 0.00 H new ATOM 0 HA VAL A 180 -8.232 -2.616 -0.541 1.00 0.00 H new ATOM 0 HB VAL A 180 -6.163 -3.508 1.518 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -4.919 -4.361 -0.444 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -6.499 -5.165 -0.282 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -6.270 -3.891 -1.504 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -4.647 -1.990 0.244 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -6.010 -1.511 -0.795 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -6.020 -1.092 0.934 1.00 0.00 H new