USER MOD reduce.3.24.130724 H: found=0, std=0, add=319, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 310 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 161 CYS SG : rot 168:sc= -0.459 USER MOD Set 1.2: A 164 CYS SG : rot -60:sc= -3.23 USER MOD Set 1.3: A 169 HIS : no HE2:sc= 0.209 K(o=-3.2,f=-8.1!) USER MOD Set 1.4: A 174 CYS SG : rot 68:sc= 0.252 USER MOD Set 2.1: A 141 ASN : amide:sc= -0.751 K(o=-0.71,f=-1.8) USER MOD Set 2.2: A 157 GLN : amide:sc= 0.0373 X(o=-0.71,f=-1.2) USER MOD Set 3.1: A 139 CYS SG : rot 160:sc= -2.09 USER MOD Set 3.2: A 142 CYS SG : rot -53:sc= -0.677 USER MOD Set 3.3: A 147 HIS : no HE2:sc= -1.01 K(o=-3,f=-4.9) USER MOD Set 3.4: A 152 CYS SG : rot 85:sc= 0.784 USER MOD Single : A 140 TYR OH : rot 180:sc= 0 USER MOD Single : A 148 HIS : no HD1:sc= -0.015 X(o=-0.015,f=-0.13) USER MOD Single : A 150 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.454) USER MOD Single : A 153 LYS NZ :NH3+ -150:sc= -0.0406 (180deg=-1.08) USER MOD Single : A 159 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 160 LYS NZ :NH3+ -163:sc= -0.0864 (180deg=-0.615) USER MOD Single : A 162 HIS : no HE2:sc= -4.8! C(o=-4.8!,f=-7.3!) USER MOD Single : A 165 GLN : amide:sc= -0.638 K(o=-0.64,f=-2!) USER MOD Single : A 166 SER OG : rot 180:sc= 0 USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD Single : A 170 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 173 SER OG : rot 180:sc= 0 USER MOD Single : A 177 LYS NZ :NH3+ 163:sc= -0.0166 (180deg=-0.21) USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 137 -17.424 9.014 0.299 1.00 0.00 N ATOM 67 CA ASP A 137 -16.115 8.421 0.052 1.00 0.00 C ATOM 68 C ASP A 137 -15.007 9.451 0.247 1.00 0.00 C ATOM 69 O ASP A 137 -14.654 10.181 -0.680 1.00 0.00 O ATOM 70 CB ASP A 137 -16.051 7.846 -1.364 1.00 0.00 C ATOM 71 CG ASP A 137 -17.170 6.860 -1.639 1.00 0.00 C ATOM 72 OD1 ASP A 137 -18.276 7.307 -2.008 1.00 0.00 O ATOM 73 OD2 ASP A 137 -16.939 5.642 -1.486 1.00 0.00 O ATOM 0 HA ASP A 137 -15.967 7.614 0.770 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -16.102 8.660 -2.087 1.00 0.00 H new ATOM 0 HB3 ASP A 137 -15.091 7.351 -1.509 1.00 0.00 H new ATOM 78 N ARG A 138 -14.462 9.504 1.458 1.00 0.00 N ATOM 79 CA ARG A 138 -13.395 10.446 1.775 1.00 0.00 C ATOM 80 C ARG A 138 -12.093 9.711 2.079 1.00 0.00 C ATOM 81 O ARG A 138 -12.105 8.556 2.508 1.00 0.00 O ATOM 82 CB ARG A 138 -13.792 11.317 2.968 1.00 0.00 C ATOM 83 CG ARG A 138 -14.072 10.524 4.234 1.00 0.00 C ATOM 84 CD ARG A 138 -14.875 11.340 5.236 1.00 0.00 C ATOM 85 NE ARG A 138 -14.671 10.878 6.606 1.00 0.00 N ATOM 86 CZ ARG A 138 -15.108 11.534 7.676 1.00 0.00 C ATOM 87 NH1 ARG A 138 -15.770 12.673 7.533 1.00 0.00 N ATOM 88 NH2 ARG A 138 -14.883 11.050 8.890 1.00 0.00 N ATOM 0 H ARG A 138 -14.742 8.906 2.236 1.00 0.00 H new ATOM 0 HA ARG A 138 -13.238 11.084 0.905 1.00 0.00 H new ATOM 0 HB2 ARG A 138 -12.994 12.032 3.166 1.00 0.00 H new ATOM 0 HB3 ARG A 138 -14.679 11.894 2.707 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -14.618 9.615 3.982 1.00 0.00 H new ATOM 0 HG3 ARG A 138 -13.130 10.214 4.687 1.00 0.00 H new ATOM 0 HD2 ARG A 138 -14.589 12.389 5.161 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -15.934 11.279 4.987 1.00 0.00 H new ATOM 0 HE ARG A 138 -14.165 10.004 6.750 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -15.945 13.048 6.601 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -16.105 13.175 8.355 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -14.374 10.173 9.003 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -15.219 11.554 9.710 1.00 0.00 H new ATOM 102 N CYS A 139 -10.971 10.386 1.854 1.00 0.00 N ATOM 103 CA CYS A 139 -9.661 9.798 2.103 1.00 0.00 C ATOM 104 C CYS A 139 -9.627 9.100 3.459 1.00 0.00 C ATOM 105 O CYS A 139 -9.796 9.734 4.501 1.00 0.00 O ATOM 106 CB CYS A 139 -8.576 10.875 2.044 1.00 0.00 C ATOM 107 SG CYS A 139 -6.933 10.306 2.588 1.00 0.00 S ATOM 0 H CYS A 139 -10.943 11.342 1.499 1.00 0.00 H new ATOM 0 HA CYS A 139 -9.470 9.056 1.327 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -8.501 11.244 1.021 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -8.881 11.717 2.665 1.00 0.00 H new ATOM 0 HG CYS A 139 -6.021 11.107 2.124 1.00 0.00 H new ATOM 112 N TYR A 140 -9.406 7.790 3.438 1.00 0.00 N ATOM 113 CA TYR A 140 -9.352 7.004 4.665 1.00 0.00 C ATOM 114 C TYR A 140 -7.948 7.021 5.261 1.00 0.00 C ATOM 115 O TYR A 140 -7.458 6.006 5.754 1.00 0.00 O ATOM 116 CB TYR A 140 -9.785 5.563 4.392 1.00 0.00 C ATOM 117 CG TYR A 140 -9.263 5.011 3.085 1.00 0.00 C ATOM 118 CD1 TYR A 140 -7.936 4.620 2.955 1.00 0.00 C ATOM 119 CD2 TYR A 140 -10.095 4.881 1.981 1.00 0.00 C ATOM 120 CE1 TYR A 140 -7.454 4.116 1.762 1.00 0.00 C ATOM 121 CE2 TYR A 140 -9.622 4.377 0.785 1.00 0.00 C ATOM 122 CZ TYR A 140 -8.301 3.996 0.680 1.00 0.00 C ATOM 123 OH TYR A 140 -7.826 3.494 -0.510 1.00 0.00 O ATOM 0 H TYR A 140 -9.261 7.250 2.585 1.00 0.00 H new ATOM 0 HA TYR A 140 -10.038 7.452 5.384 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -9.440 4.928 5.208 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -10.874 5.514 4.388 1.00 0.00 H new ATOM 0 HD1 TYR A 140 -7.270 4.712 3.800 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -11.130 5.179 2.059 1.00 0.00 H new ATOM 0 HE1 TYR A 140 -6.420 3.818 1.677 1.00 0.00 H new ATOM 0 HE2 TYR A 140 -10.283 4.282 -0.063 1.00 0.00 H new ATOM 0 HH TYR A 140 -8.551 3.475 -1.169 1.00 0.00 H new ATOM 133 N ASN A 141 -7.305 8.184 5.213 1.00 0.00 N ATOM 134 CA ASN A 141 -5.957 8.335 5.747 1.00 0.00 C ATOM 135 C ASN A 141 -5.861 9.569 6.639 1.00 0.00 C ATOM 136 O ASN A 141 -5.571 9.467 7.831 1.00 0.00 O ATOM 137 CB ASN A 141 -4.942 8.435 4.607 1.00 0.00 C ATOM 138 CG ASN A 141 -3.522 8.172 5.072 1.00 0.00 C ATOM 139 OD1 ASN A 141 -3.290 7.838 6.234 1.00 0.00 O ATOM 140 ND2 ASN A 141 -2.565 8.323 4.164 1.00 0.00 N ATOM 0 H ASN A 141 -7.696 9.035 4.810 1.00 0.00 H new ATOM 0 HA ASN A 141 -5.731 7.455 6.349 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -5.204 7.720 3.827 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -4.997 9.428 4.161 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -1.591 8.161 4.418 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -2.804 8.601 3.212 1.00 0.00 H new ATOM 147 N CYS A 142 -6.107 10.736 6.053 1.00 0.00 N ATOM 148 CA CYS A 142 -6.048 11.991 6.792 1.00 0.00 C ATOM 149 C CYS A 142 -7.449 12.544 7.036 1.00 0.00 C ATOM 150 O CYS A 142 -7.750 13.047 8.118 1.00 0.00 O ATOM 151 CB CYS A 142 -5.208 13.018 6.030 1.00 0.00 C ATOM 152 SG CYS A 142 -6.004 13.657 4.521 1.00 0.00 S ATOM 0 H CYS A 142 -6.349 10.838 5.068 1.00 0.00 H new ATOM 0 HA CYS A 142 -5.580 11.794 7.757 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -4.987 13.854 6.693 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -4.255 12.564 5.761 1.00 0.00 H new ATOM 0 HG CYS A 142 -6.371 12.662 3.769 1.00 0.00 H new ATOM 157 N GLY A 143 -8.303 12.448 6.021 1.00 0.00 N ATOM 158 CA GLY A 143 -9.662 12.942 6.145 1.00 0.00 C ATOM 159 C GLY A 143 -9.959 14.069 5.176 1.00 0.00 C ATOM 160 O GLY A 143 -10.714 14.987 5.494 1.00 0.00 O ATOM 0 H GLY A 143 -8.078 12.037 5.115 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -10.360 12.123 5.971 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -9.827 13.290 7.165 1.00 0.00 H new ATOM 164 N GLY A 144 -9.363 14.000 3.990 1.00 0.00 N ATOM 165 CA GLY A 144 -9.579 15.030 2.990 1.00 0.00 C ATOM 166 C GLY A 144 -10.799 14.758 2.132 1.00 0.00 C ATOM 167 O GLY A 144 -10.986 13.644 1.640 1.00 0.00 O ATOM 0 H GLY A 144 -8.734 13.250 3.703 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -9.694 15.994 3.485 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -8.698 15.103 2.352 1.00 0.00 H new ATOM 171 N LEU A 145 -11.633 15.777 1.953 1.00 0.00 N ATOM 172 CA LEU A 145 -12.843 15.642 1.149 1.00 0.00 C ATOM 173 C LEU A 145 -12.580 16.032 -0.301 1.00 0.00 C ATOM 174 O LEU A 145 -13.186 15.484 -1.222 1.00 0.00 O ATOM 175 CB LEU A 145 -13.962 16.510 1.728 1.00 0.00 C ATOM 176 CG LEU A 145 -14.182 16.404 3.237 1.00 0.00 C ATOM 177 CD1 LEU A 145 -14.976 17.597 3.746 1.00 0.00 C ATOM 178 CD2 LEU A 145 -14.891 15.103 3.582 1.00 0.00 C ATOM 0 H LEU A 145 -11.494 16.705 2.353 1.00 0.00 H new ATOM 0 HA LEU A 145 -13.152 14.597 1.174 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -13.750 17.551 1.484 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -14.894 16.249 1.226 1.00 0.00 H new ATOM 0 HG LEU A 145 -13.209 16.406 3.728 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -15.123 17.504 4.822 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -14.430 18.516 3.532 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -15.946 17.628 3.249 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -15.039 15.044 4.660 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -15.858 15.072 3.080 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -14.284 14.260 3.253 1.00 0.00 H new ATOM 190 N ASP A 146 -11.671 16.981 -0.498 1.00 0.00 N ATOM 191 CA ASP A 146 -11.324 17.442 -1.837 1.00 0.00 C ATOM 192 C ASP A 146 -10.559 16.366 -2.601 1.00 0.00 C ATOM 193 O ASP A 146 -10.957 15.965 -3.696 1.00 0.00 O ATOM 194 CB ASP A 146 -10.489 18.721 -1.759 1.00 0.00 C ATOM 195 CG ASP A 146 -9.201 18.525 -0.983 1.00 0.00 C ATOM 196 OD1 ASP A 146 -9.236 17.840 0.060 1.00 0.00 O ATOM 197 OD2 ASP A 146 -8.159 19.058 -1.419 1.00 0.00 O ATOM 0 H ASP A 146 -11.161 17.446 0.253 1.00 0.00 H new ATOM 0 HA ASP A 146 -12.249 17.654 -2.373 1.00 0.00 H new ATOM 0 HB2 ASP A 146 -10.254 19.060 -2.768 1.00 0.00 H new ATOM 0 HB3 ASP A 146 -11.078 19.508 -1.287 1.00 0.00 H new ATOM 202 N HIS A 147 -9.458 15.903 -2.018 1.00 0.00 N ATOM 203 CA HIS A 147 -8.636 14.873 -2.645 1.00 0.00 C ATOM 204 C HIS A 147 -9.065 13.483 -2.186 1.00 0.00 C ATOM 205 O HIS A 147 -9.790 13.339 -1.201 1.00 0.00 O ATOM 206 CB HIS A 147 -7.160 15.099 -2.316 1.00 0.00 C ATOM 207 CG HIS A 147 -6.817 14.825 -0.884 1.00 0.00 C ATOM 208 ND1 HIS A 147 -6.397 15.806 -0.010 1.00 0.00 N ATOM 209 CD2 HIS A 147 -6.834 13.673 -0.175 1.00 0.00 C ATOM 210 CE1 HIS A 147 -6.169 15.268 1.175 1.00 0.00 C ATOM 211 NE2 HIS A 147 -6.427 13.975 1.102 1.00 0.00 N ATOM 0 H HIS A 147 -9.114 16.224 -1.113 1.00 0.00 H new ATOM 0 HA HIS A 147 -8.774 14.939 -3.724 1.00 0.00 H new ATOM 0 HB2 HIS A 147 -6.552 14.460 -2.956 1.00 0.00 H new ATOM 0 HB3 HIS A 147 -6.897 16.130 -2.553 1.00 0.00 H new ATOM 0 HD1 HIS A 147 -6.281 16.792 -0.242 1.00 0.00 H new ATOM 0 HD2 HIS A 147 -7.115 12.698 -0.544 1.00 0.00 H new ATOM 0 HE1 HIS A 147 -5.829 15.796 2.054 1.00 0.00 H new ATOM 219 N HIS A 148 -8.612 12.462 -2.906 1.00 0.00 N ATOM 220 CA HIS A 148 -8.949 11.082 -2.573 1.00 0.00 C ATOM 221 C HIS A 148 -7.796 10.403 -1.840 1.00 0.00 C ATOM 222 O HIS A 148 -6.677 10.916 -1.813 1.00 0.00 O ATOM 223 CB HIS A 148 -9.294 10.299 -3.840 1.00 0.00 C ATOM 224 CG HIS A 148 -10.560 10.753 -4.499 1.00 0.00 C ATOM 225 ND1 HIS A 148 -11.681 11.135 -3.792 1.00 0.00 N ATOM 226 CD2 HIS A 148 -10.879 10.887 -5.807 1.00 0.00 C ATOM 227 CE1 HIS A 148 -12.635 11.483 -4.637 1.00 0.00 C ATOM 228 NE2 HIS A 148 -12.173 11.342 -5.867 1.00 0.00 N ATOM 0 H HIS A 148 -8.011 12.564 -3.724 1.00 0.00 H new ATOM 0 HA HIS A 148 -9.818 11.095 -1.915 1.00 0.00 H new ATOM 0 HB2 HIS A 148 -8.472 10.391 -4.549 1.00 0.00 H new ATOM 0 HB3 HIS A 148 -9.383 9.242 -3.591 1.00 0.00 H new ATOM 0 HD2 HIS A 148 -10.235 10.675 -6.648 1.00 0.00 H new ATOM 0 HE1 HIS A 148 -13.624 11.824 -4.368 1.00 0.00 H new ATOM 0 HE2 HIS A 148 -12.693 11.539 -6.722 1.00 0.00 H new ATOM 236 N ALA A 149 -8.077 9.248 -1.247 1.00 0.00 N ATOM 237 CA ALA A 149 -7.063 8.499 -0.515 1.00 0.00 C ATOM 238 C ALA A 149 -5.902 8.112 -1.424 1.00 0.00 C ATOM 239 O ALA A 149 -4.738 8.200 -1.034 1.00 0.00 O ATOM 240 CB ALA A 149 -7.677 7.258 0.117 1.00 0.00 C ATOM 0 H ALA A 149 -8.998 8.810 -1.259 1.00 0.00 H new ATOM 0 HA ALA A 149 -6.673 9.141 0.275 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -6.908 6.708 0.660 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -8.467 7.554 0.807 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -8.095 6.622 -0.663 1.00 0.00 H new ATOM 246 N LYS A 150 -6.226 7.683 -2.640 1.00 0.00 N ATOM 247 CA LYS A 150 -5.210 7.284 -3.606 1.00 0.00 C ATOM 248 C LYS A 150 -4.470 8.500 -4.153 1.00 0.00 C ATOM 249 O LYS A 150 -3.305 8.408 -4.536 1.00 0.00 O ATOM 250 CB LYS A 150 -5.851 6.504 -4.757 1.00 0.00 C ATOM 251 CG LYS A 150 -6.855 7.316 -5.557 1.00 0.00 C ATOM 252 CD LYS A 150 -6.958 6.821 -6.990 1.00 0.00 C ATOM 253 CE LYS A 150 -8.234 7.310 -7.658 1.00 0.00 C ATOM 254 NZ LYS A 150 -8.123 8.730 -8.092 1.00 0.00 N ATOM 0 H LYS A 150 -7.185 7.603 -2.979 1.00 0.00 H new ATOM 0 HA LYS A 150 -4.491 6.643 -3.095 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -5.067 6.150 -5.426 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -6.348 5.622 -4.354 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -7.833 7.258 -5.080 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -6.560 8.365 -5.554 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -6.094 7.165 -7.558 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -6.934 5.731 -7.002 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -8.456 6.683 -8.521 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -9.069 7.206 -6.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -8.862 8.937 -8.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -8.243 9.355 -7.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -7.187 8.891 -8.516 1.00 0.00 H new ATOM 268 N GLU A 151 -5.155 9.639 -4.184 1.00 0.00 N ATOM 269 CA GLU A 151 -4.561 10.874 -4.683 1.00 0.00 C ATOM 270 C GLU A 151 -3.757 11.571 -3.589 1.00 0.00 C ATOM 271 O GLU A 151 -2.799 12.293 -3.871 1.00 0.00 O ATOM 272 CB GLU A 151 -5.648 11.813 -5.210 1.00 0.00 C ATOM 273 CG GLU A 151 -6.374 11.278 -6.433 1.00 0.00 C ATOM 274 CD GLU A 151 -5.649 11.596 -7.726 1.00 0.00 C ATOM 275 OE1 GLU A 151 -4.402 11.531 -7.740 1.00 0.00 O ATOM 276 OE2 GLU A 151 -6.330 11.909 -8.725 1.00 0.00 O ATOM 0 H GLU A 151 -6.121 9.732 -3.870 1.00 0.00 H new ATOM 0 HA GLU A 151 -3.886 10.618 -5.500 1.00 0.00 H new ATOM 0 HB2 GLU A 151 -6.374 11.995 -4.418 1.00 0.00 H new ATOM 0 HB3 GLU A 151 -5.197 12.774 -5.457 1.00 0.00 H new ATOM 0 HG2 GLU A 151 -6.487 10.198 -6.340 1.00 0.00 H new ATOM 0 HG3 GLU A 151 -7.378 11.702 -6.470 1.00 0.00 H new ATOM 283 N CYS A 152 -4.153 11.352 -2.340 1.00 0.00 N ATOM 284 CA CYS A 152 -3.472 11.959 -1.203 1.00 0.00 C ATOM 285 C CYS A 152 -1.959 11.811 -1.333 1.00 0.00 C ATOM 286 O CYS A 152 -1.467 10.877 -1.968 1.00 0.00 O ATOM 287 CB CYS A 152 -3.948 11.320 0.103 1.00 0.00 C ATOM 288 SG CYS A 152 -3.637 12.335 1.583 1.00 0.00 S ATOM 0 H CYS A 152 -4.943 10.758 -2.089 1.00 0.00 H new ATOM 0 HA CYS A 152 -3.715 13.021 -1.190 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -5.017 11.122 0.030 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -3.453 10.357 0.225 1.00 0.00 H new ATOM 0 HG CYS A 152 -4.610 13.183 1.740 1.00 0.00 H new ATOM 293 N LYS A 153 -1.225 12.738 -0.728 1.00 0.00 N ATOM 294 CA LYS A 153 0.232 12.712 -0.773 1.00 0.00 C ATOM 295 C LYS A 153 0.806 12.127 0.514 1.00 0.00 C ATOM 296 O LYS A 153 1.765 11.355 0.483 1.00 0.00 O ATOM 297 CB LYS A 153 0.781 14.123 -0.994 1.00 0.00 C ATOM 298 CG LYS A 153 0.362 14.739 -2.318 1.00 0.00 C ATOM 299 CD LYS A 153 0.369 16.257 -2.254 1.00 0.00 C ATOM 300 CE LYS A 153 1.751 16.820 -2.547 1.00 0.00 C ATOM 301 NZ LYS A 153 2.673 16.660 -1.388 1.00 0.00 N ATOM 0 H LYS A 153 -1.616 13.518 -0.200 1.00 0.00 H new ATOM 0 HA LYS A 153 0.534 12.077 -1.606 1.00 0.00 H new ATOM 0 HB2 LYS A 153 0.444 14.766 -0.181 1.00 0.00 H new ATOM 0 HB3 LYS A 153 1.869 14.092 -0.946 1.00 0.00 H new ATOM 0 HG2 LYS A 153 1.037 14.404 -3.106 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -0.636 14.390 -2.583 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -0.347 16.656 -2.972 1.00 0.00 H new ATOM 0 HD3 LYS A 153 0.044 16.582 -1.266 1.00 0.00 H new ATOM 0 HE2 LYS A 153 2.171 16.316 -3.417 1.00 0.00 H new ATOM 0 HE3 LYS A 153 1.666 17.877 -2.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 3.367 17.435 -1.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 2.126 16.684 -0.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 3.170 15.750 -1.463 1.00 0.00 H new ATOM 315 N LEU A 154 0.213 12.498 1.643 1.00 0.00 N ATOM 316 CA LEU A 154 0.665 12.009 2.941 1.00 0.00 C ATOM 317 C LEU A 154 1.015 10.527 2.872 1.00 0.00 C ATOM 318 O LEU A 154 0.548 9.793 2.001 1.00 0.00 O ATOM 319 CB LEU A 154 -0.416 12.241 3.999 1.00 0.00 C ATOM 320 CG LEU A 154 -0.502 13.656 4.571 1.00 0.00 C ATOM 321 CD1 LEU A 154 -1.767 13.821 5.399 1.00 0.00 C ATOM 322 CD2 LEU A 154 0.729 13.969 5.409 1.00 0.00 C ATOM 0 H LEU A 154 -0.582 13.136 1.686 1.00 0.00 H new ATOM 0 HA LEU A 154 1.562 12.563 3.219 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -1.383 11.987 3.564 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -0.245 11.548 4.822 1.00 0.00 H new ATOM 0 HG LEU A 154 -0.541 14.361 3.740 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -1.811 14.834 5.798 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -2.639 13.640 4.771 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -1.759 13.107 6.222 1.00 0.00 H new ATOM 0 HD21 LEU A 154 0.650 14.980 5.808 1.00 0.00 H new ATOM 0 HD22 LEU A 154 0.799 13.258 6.233 1.00 0.00 H new ATOM 0 HD23 LEU A 154 1.621 13.893 4.788 1.00 0.00 H new ATOM 334 N PRO A 155 1.857 10.073 3.813 1.00 0.00 N ATOM 335 CA PRO A 155 2.287 8.673 3.882 1.00 0.00 C ATOM 336 C PRO A 155 1.157 7.740 4.303 1.00 0.00 C ATOM 337 O PRO A 155 0.612 7.842 5.402 1.00 0.00 O ATOM 338 CB PRO A 155 3.388 8.693 4.945 1.00 0.00 C ATOM 339 CG PRO A 155 3.070 9.872 5.799 1.00 0.00 C ATOM 340 CD PRO A 155 2.452 10.892 4.883 1.00 0.00 C ATOM 0 HA PRO A 155 2.618 8.299 2.913 1.00 0.00 H new ATOM 0 HB2 PRO A 155 3.392 7.772 5.528 1.00 0.00 H new ATOM 0 HB3 PRO A 155 4.375 8.788 4.491 1.00 0.00 H new ATOM 0 HG2 PRO A 155 2.383 9.600 6.600 1.00 0.00 H new ATOM 0 HG3 PRO A 155 3.970 10.266 6.271 1.00 0.00 H new ATOM 0 HD2 PRO A 155 1.700 11.490 5.397 1.00 0.00 H new ATOM 0 HD3 PRO A 155 3.197 11.585 4.492 1.00 0.00 H new ATOM 348 N PRO A 156 0.795 6.807 3.410 1.00 0.00 N ATOM 349 CA PRO A 156 -0.273 5.836 3.667 1.00 0.00 C ATOM 350 C PRO A 156 0.118 4.811 4.726 1.00 0.00 C ATOM 351 O PRO A 156 1.301 4.556 4.948 1.00 0.00 O ATOM 352 CB PRO A 156 -0.468 5.156 2.310 1.00 0.00 C ATOM 353 CG PRO A 156 0.841 5.311 1.616 1.00 0.00 C ATOM 354 CD PRO A 156 1.401 6.627 2.080 1.00 0.00 C ATOM 0 HA PRO A 156 -1.174 6.313 4.053 1.00 0.00 H new ATOM 0 HB2 PRO A 156 -0.731 4.105 2.428 1.00 0.00 H new ATOM 0 HB3 PRO A 156 -1.274 5.625 1.745 1.00 0.00 H new ATOM 0 HG2 PRO A 156 1.514 4.491 1.865 1.00 0.00 H new ATOM 0 HG3 PRO A 156 0.713 5.301 0.534 1.00 0.00 H new ATOM 0 HD2 PRO A 156 2.489 6.604 2.134 1.00 0.00 H new ATOM 0 HD3 PRO A 156 1.133 7.438 1.403 1.00 0.00 H new ATOM 362 N GLN A 157 -0.883 4.227 5.376 1.00 0.00 N ATOM 363 CA GLN A 157 -0.642 3.230 6.412 1.00 0.00 C ATOM 364 C GLN A 157 -0.030 1.965 5.818 1.00 0.00 C ATOM 365 O GLN A 157 -0.230 1.640 4.648 1.00 0.00 O ATOM 366 CB GLN A 157 -1.947 2.888 7.134 1.00 0.00 C ATOM 367 CG GLN A 157 -2.589 4.079 7.827 1.00 0.00 C ATOM 368 CD GLN A 157 -1.573 4.975 8.508 1.00 0.00 C ATOM 369 OE1 GLN A 157 -0.946 4.585 9.494 1.00 0.00 O ATOM 370 NE2 GLN A 157 -1.404 6.184 7.985 1.00 0.00 N ATOM 0 H GLN A 157 -1.868 4.427 5.204 1.00 0.00 H new ATOM 0 HA GLN A 157 0.063 3.651 7.129 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -2.653 2.473 6.414 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -1.751 2.111 7.873 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -3.149 4.662 7.096 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -3.306 3.721 8.566 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -1.945 6.466 7.167 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -0.734 6.830 8.401 1.00 0.00 H new ATOM 379 N PRO A 158 0.734 1.234 6.643 1.00 0.00 N ATOM 380 CA PRO A 158 1.391 -0.007 6.221 1.00 0.00 C ATOM 381 C PRO A 158 0.396 -1.137 5.981 1.00 0.00 C ATOM 382 O PRO A 158 0.779 -2.302 5.872 1.00 0.00 O ATOM 383 CB PRO A 158 2.308 -0.342 7.400 1.00 0.00 C ATOM 384 CG PRO A 158 1.667 0.312 8.576 1.00 0.00 C ATOM 385 CD PRO A 158 1.015 1.561 8.051 1.00 0.00 C ATOM 0 HA PRO A 158 1.918 0.112 5.274 1.00 0.00 H new ATOM 0 HB2 PRO A 158 2.392 -1.419 7.543 1.00 0.00 H new ATOM 0 HB3 PRO A 158 3.317 0.037 7.237 1.00 0.00 H new ATOM 0 HG2 PRO A 158 0.932 -0.348 9.037 1.00 0.00 H new ATOM 0 HG3 PRO A 158 2.406 0.550 9.341 1.00 0.00 H new ATOM 0 HD2 PRO A 158 0.103 1.798 8.598 1.00 0.00 H new ATOM 0 HD3 PRO A 158 1.673 2.425 8.139 1.00 0.00 H new ATOM 393 N LYS A 159 -0.883 -0.786 5.901 1.00 0.00 N ATOM 394 CA LYS A 159 -1.934 -1.771 5.673 1.00 0.00 C ATOM 395 C LYS A 159 -1.572 -2.695 4.514 1.00 0.00 C ATOM 396 O LYS A 159 -0.538 -2.521 3.867 1.00 0.00 O ATOM 397 CB LYS A 159 -3.263 -1.070 5.384 1.00 0.00 C ATOM 398 CG LYS A 159 -3.718 -0.145 6.500 1.00 0.00 C ATOM 399 CD LYS A 159 -4.555 -0.884 7.531 1.00 0.00 C ATOM 400 CE LYS A 159 -4.615 -0.125 8.847 1.00 0.00 C ATOM 401 NZ LYS A 159 -5.432 1.115 8.736 1.00 0.00 N ATOM 0 H LYS A 159 -1.217 0.174 5.991 1.00 0.00 H new ATOM 0 HA LYS A 159 -2.036 -2.373 6.576 1.00 0.00 H new ATOM 0 HB2 LYS A 159 -3.168 -0.495 4.463 1.00 0.00 H new ATOM 0 HB3 LYS A 159 -4.032 -1.823 5.212 1.00 0.00 H new ATOM 0 HG2 LYS A 159 -2.848 0.296 6.985 1.00 0.00 H new ATOM 0 HG3 LYS A 159 -4.299 0.676 6.079 1.00 0.00 H new ATOM 0 HD2 LYS A 159 -5.565 -1.028 7.146 1.00 0.00 H new ATOM 0 HD3 LYS A 159 -4.134 -1.875 7.700 1.00 0.00 H new ATOM 0 HE2 LYS A 159 -5.036 -0.769 9.619 1.00 0.00 H new ATOM 0 HE3 LYS A 159 -3.604 0.133 9.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 -5.448 1.603 9.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -5.016 1.742 8.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 -6.403 0.867 8.459 1.00 0.00 H new ATOM 415 N LYS A 160 -2.429 -3.676 4.256 1.00 0.00 N ATOM 416 CA LYS A 160 -2.202 -4.626 3.173 1.00 0.00 C ATOM 417 C LYS A 160 -1.938 -3.899 1.858 1.00 0.00 C ATOM 418 O LYS A 160 -2.047 -2.675 1.781 1.00 0.00 O ATOM 419 CB LYS A 160 -3.408 -5.556 3.021 1.00 0.00 C ATOM 420 CG LYS A 160 -4.585 -4.914 2.307 1.00 0.00 C ATOM 421 CD LYS A 160 -5.829 -5.783 2.389 1.00 0.00 C ATOM 422 CE LYS A 160 -7.052 -5.058 1.849 1.00 0.00 C ATOM 423 NZ LYS A 160 -7.312 -3.787 2.581 1.00 0.00 N ATOM 0 H LYS A 160 -3.288 -3.835 4.782 1.00 0.00 H new ATOM 0 HA LYS A 160 -1.323 -5.220 3.423 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -3.102 -6.447 2.472 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -3.729 -5.885 4.009 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -4.792 -3.939 2.748 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -4.328 -4.743 1.262 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -5.670 -6.702 1.824 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -6.004 -6.072 3.425 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -6.909 -4.844 0.790 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -7.924 -5.708 1.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -8.285 -3.472 2.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -7.188 -3.943 3.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -6.644 -3.058 2.259 1.00 0.00 H new ATOM 437 N CYS A 161 -1.593 -4.661 0.825 1.00 0.00 N ATOM 438 CA CYS A 161 -1.315 -4.090 -0.487 1.00 0.00 C ATOM 439 C CYS A 161 -2.579 -3.496 -1.101 1.00 0.00 C ATOM 440 O CYS A 161 -3.485 -4.223 -1.510 1.00 0.00 O ATOM 441 CB CYS A 161 -0.736 -5.158 -1.418 1.00 0.00 C ATOM 442 SG CYS A 161 -0.425 -4.574 -3.116 1.00 0.00 S ATOM 0 H CYS A 161 -1.499 -5.676 0.872 1.00 0.00 H new ATOM 0 HA CYS A 161 -0.584 -3.291 -0.361 1.00 0.00 H new ATOM 0 HB2 CYS A 161 0.199 -5.526 -0.995 1.00 0.00 H new ATOM 0 HB3 CYS A 161 -1.423 -6.003 -1.456 1.00 0.00 H new ATOM 0 HG CYS A 161 0.289 -5.454 -3.753 1.00 0.00 H new ATOM 447 N HIS A 162 -2.633 -2.169 -1.163 1.00 0.00 N ATOM 448 CA HIS A 162 -3.786 -1.477 -1.728 1.00 0.00 C ATOM 449 C HIS A 162 -3.683 -1.402 -3.248 1.00 0.00 C ATOM 450 O HIS A 162 -4.001 -0.377 -3.852 1.00 0.00 O ATOM 451 CB HIS A 162 -3.899 -0.069 -1.142 1.00 0.00 C ATOM 452 CG HIS A 162 -2.965 0.918 -1.772 1.00 0.00 C ATOM 453 ND1 HIS A 162 -3.359 1.813 -2.745 1.00 0.00 N ATOM 454 CD2 HIS A 162 -1.648 1.150 -1.562 1.00 0.00 C ATOM 455 CE1 HIS A 162 -2.325 2.551 -3.107 1.00 0.00 C ATOM 456 NE2 HIS A 162 -1.274 2.169 -2.404 1.00 0.00 N ATOM 0 H HIS A 162 -1.892 -1.552 -0.829 1.00 0.00 H new ATOM 0 HA HIS A 162 -4.681 -2.043 -1.470 1.00 0.00 H new ATOM 0 HB2 HIS A 162 -4.923 0.285 -1.262 1.00 0.00 H new ATOM 0 HB3 HIS A 162 -3.700 -0.113 -0.071 1.00 0.00 H new ATOM 0 HD1 HIS A 162 -4.302 1.893 -3.126 1.00 0.00 H new ATOM 0 HD2 HIS A 162 -1.010 0.631 -0.862 1.00 0.00 H new ATOM 0 HE1 HIS A 162 -2.337 3.334 -3.851 1.00 0.00 H new ATOM 464 N PHE A 163 -3.237 -2.493 -3.861 1.00 0.00 N ATOM 465 CA PHE A 163 -3.091 -2.550 -5.311 1.00 0.00 C ATOM 466 C PHE A 163 -3.709 -3.829 -5.870 1.00 0.00 C ATOM 467 O PHE A 163 -4.566 -3.783 -6.753 1.00 0.00 O ATOM 468 CB PHE A 163 -1.613 -2.473 -5.699 1.00 0.00 C ATOM 469 CG PHE A 163 -1.390 -2.105 -7.138 1.00 0.00 C ATOM 470 CD1 PHE A 163 -1.428 -0.780 -7.542 1.00 0.00 C ATOM 471 CD2 PHE A 163 -1.143 -3.084 -8.087 1.00 0.00 C ATOM 472 CE1 PHE A 163 -1.222 -0.438 -8.865 1.00 0.00 C ATOM 473 CE2 PHE A 163 -0.936 -2.748 -9.411 1.00 0.00 C ATOM 474 CZ PHE A 163 -0.977 -1.424 -9.801 1.00 0.00 C ATOM 0 H PHE A 163 -2.970 -3.350 -3.376 1.00 0.00 H new ATOM 0 HA PHE A 163 -3.617 -1.696 -5.738 1.00 0.00 H new ATOM 0 HB2 PHE A 163 -1.116 -1.740 -5.064 1.00 0.00 H new ATOM 0 HB3 PHE A 163 -1.143 -3.436 -5.501 1.00 0.00 H new ATOM 0 HD1 PHE A 163 -1.621 -0.006 -6.814 1.00 0.00 H new ATOM 0 HD2 PHE A 163 -1.112 -4.121 -7.788 1.00 0.00 H new ATOM 0 HE1 PHE A 163 -1.253 0.599 -9.167 1.00 0.00 H new ATOM 0 HE2 PHE A 163 -0.742 -3.520 -10.141 1.00 0.00 H new ATOM 0 HZ PHE A 163 -0.818 -1.160 -10.836 1.00 0.00 H new ATOM 484 N CYS A 164 -3.267 -4.969 -5.349 1.00 0.00 N ATOM 485 CA CYS A 164 -3.774 -6.261 -5.795 1.00 0.00 C ATOM 486 C CYS A 164 -4.517 -6.973 -4.668 1.00 0.00 C ATOM 487 O CYS A 164 -4.907 -8.132 -4.804 1.00 0.00 O ATOM 488 CB CYS A 164 -2.625 -7.138 -6.297 1.00 0.00 C ATOM 489 SG CYS A 164 -1.639 -7.902 -4.969 1.00 0.00 S ATOM 0 H CYS A 164 -2.559 -5.024 -4.617 1.00 0.00 H new ATOM 0 HA CYS A 164 -4.473 -6.086 -6.613 1.00 0.00 H new ATOM 0 HB2 CYS A 164 -3.033 -7.925 -6.931 1.00 0.00 H new ATOM 0 HB3 CYS A 164 -1.967 -6.534 -6.922 1.00 0.00 H new ATOM 0 HG CYS A 164 -1.112 -6.972 -4.230 1.00 0.00 H new ATOM 494 N GLN A 165 -4.707 -6.269 -3.556 1.00 0.00 N ATOM 495 CA GLN A 165 -5.402 -6.834 -2.406 1.00 0.00 C ATOM 496 C GLN A 165 -4.632 -8.019 -1.832 1.00 0.00 C ATOM 497 O GLN A 165 -5.220 -9.042 -1.481 1.00 0.00 O ATOM 498 CB GLN A 165 -6.814 -7.271 -2.800 1.00 0.00 C ATOM 499 CG GLN A 165 -7.690 -6.129 -3.291 1.00 0.00 C ATOM 500 CD GLN A 165 -7.798 -5.002 -2.283 1.00 0.00 C ATOM 501 OE1 GLN A 165 -6.838 -4.268 -2.049 1.00 0.00 O ATOM 502 NE2 GLN A 165 -8.972 -4.858 -1.679 1.00 0.00 N ATOM 0 H GLN A 165 -4.390 -5.308 -3.428 1.00 0.00 H new ATOM 0 HA GLN A 165 -5.469 -6.062 -1.639 1.00 0.00 H new ATOM 0 HB2 GLN A 165 -6.746 -8.028 -3.582 1.00 0.00 H new ATOM 0 HB3 GLN A 165 -7.293 -7.742 -1.941 1.00 0.00 H new ATOM 0 HG2 GLN A 165 -7.283 -5.739 -4.224 1.00 0.00 H new ATOM 0 HG3 GLN A 165 -8.687 -6.510 -3.513 1.00 0.00 H new ATOM 0 HE21 GLN A 165 -9.742 -5.489 -1.903 1.00 0.00 H new ATOM 0 HE22 GLN A 165 -9.104 -4.116 -0.991 1.00 0.00 H new ATOM 511 N SER A 166 -3.314 -7.873 -1.740 1.00 0.00 N ATOM 512 CA SER A 166 -2.463 -8.934 -1.213 1.00 0.00 C ATOM 513 C SER A 166 -1.900 -8.550 0.152 1.00 0.00 C ATOM 514 O SER A 166 -1.144 -7.586 0.275 1.00 0.00 O ATOM 515 CB SER A 166 -1.318 -9.228 -2.185 1.00 0.00 C ATOM 516 OG SER A 166 -0.363 -10.095 -1.599 1.00 0.00 O ATOM 0 H SER A 166 -2.812 -7.031 -2.023 1.00 0.00 H new ATOM 0 HA SER A 166 -3.071 -9.831 -1.097 1.00 0.00 H new ATOM 0 HB2 SER A 166 -1.715 -9.680 -3.094 1.00 0.00 H new ATOM 0 HB3 SER A 166 -0.836 -8.295 -2.477 1.00 0.00 H new ATOM 0 HG SER A 166 0.358 -10.269 -2.240 1.00 0.00 H new ATOM 522 N ILE A 167 -2.275 -9.312 1.174 1.00 0.00 N ATOM 523 CA ILE A 167 -1.807 -9.053 2.531 1.00 0.00 C ATOM 524 C ILE A 167 -0.450 -9.704 2.778 1.00 0.00 C ATOM 525 O ILE A 167 -0.086 -9.988 3.918 1.00 0.00 O ATOM 526 CB ILE A 167 -2.810 -9.569 3.580 1.00 0.00 C ATOM 527 CG1 ILE A 167 -2.929 -11.093 3.497 1.00 0.00 C ATOM 528 CG2 ILE A 167 -4.169 -8.915 3.380 1.00 0.00 C ATOM 529 CD1 ILE A 167 -3.573 -11.715 4.716 1.00 0.00 C ATOM 0 H ILE A 167 -2.901 -10.113 1.089 1.00 0.00 H new ATOM 0 HA ILE A 167 -1.712 -7.972 2.632 1.00 0.00 H new ATOM 0 HB ILE A 167 -2.444 -9.305 4.572 1.00 0.00 H new ATOM 0 HG12 ILE A 167 -3.511 -11.357 2.614 1.00 0.00 H new ATOM 0 HG13 ILE A 167 -1.935 -11.520 3.363 1.00 0.00 H new ATOM 0 HG21 ILE A 167 -4.867 -9.290 4.129 1.00 0.00 H new ATOM 0 HG22 ILE A 167 -4.071 -7.834 3.484 1.00 0.00 H new ATOM 0 HG23 ILE A 167 -4.544 -9.152 2.384 1.00 0.00 H new ATOM 0 HD11 ILE A 167 -3.625 -12.796 4.588 1.00 0.00 H new ATOM 0 HD12 ILE A 167 -2.979 -11.482 5.600 1.00 0.00 H new ATOM 0 HD13 ILE A 167 -4.580 -11.316 4.839 1.00 0.00 H new ATOM 541 N SER A 168 0.294 -9.935 1.701 1.00 0.00 N ATOM 542 CA SER A 168 1.610 -10.554 1.800 1.00 0.00 C ATOM 543 C SER A 168 2.712 -9.501 1.727 1.00 0.00 C ATOM 544 O SER A 168 3.427 -9.264 2.701 1.00 0.00 O ATOM 545 CB SER A 168 1.799 -11.584 0.685 1.00 0.00 C ATOM 546 OG SER A 168 2.769 -12.552 1.043 1.00 0.00 O ATOM 0 H SER A 168 0.008 -9.703 0.750 1.00 0.00 H new ATOM 0 HA SER A 168 1.675 -11.058 2.764 1.00 0.00 H new ATOM 0 HB2 SER A 168 0.849 -12.077 0.476 1.00 0.00 H new ATOM 0 HB3 SER A 168 2.105 -11.080 -0.232 1.00 0.00 H new ATOM 0 HG SER A 168 2.870 -13.199 0.314 1.00 0.00 H new ATOM 552 N HIS A 169 2.844 -8.871 0.563 1.00 0.00 N ATOM 553 CA HIS A 169 3.858 -7.843 0.361 1.00 0.00 C ATOM 554 C HIS A 169 3.255 -6.449 0.505 1.00 0.00 C ATOM 555 O HIS A 169 2.078 -6.303 0.835 1.00 0.00 O ATOM 556 CB HIS A 169 4.500 -7.993 -1.018 1.00 0.00 C ATOM 557 CG HIS A 169 3.508 -8.017 -2.141 1.00 0.00 C ATOM 558 ND1 HIS A 169 3.217 -9.155 -2.863 1.00 0.00 N ATOM 559 CD2 HIS A 169 2.738 -7.034 -2.662 1.00 0.00 C ATOM 560 CE1 HIS A 169 2.311 -8.870 -3.782 1.00 0.00 C ATOM 561 NE2 HIS A 169 2.003 -7.590 -3.681 1.00 0.00 N ATOM 0 H HIS A 169 2.261 -9.055 -0.254 1.00 0.00 H new ATOM 0 HA HIS A 169 4.624 -7.969 1.126 1.00 0.00 H new ATOM 0 HB2 HIS A 169 5.197 -7.170 -1.177 1.00 0.00 H new ATOM 0 HB3 HIS A 169 5.084 -8.913 -1.040 1.00 0.00 H new ATOM 0 HD1 HIS A 169 3.635 -10.073 -2.712 1.00 0.00 H new ATOM 0 HD2 HIS A 169 2.707 -6.004 -2.337 1.00 0.00 H new ATOM 0 HE1 HIS A 169 1.893 -9.566 -4.495 1.00 0.00 H new ATOM 569 N MET A 170 4.069 -5.428 0.257 1.00 0.00 N ATOM 570 CA MET A 170 3.614 -4.046 0.359 1.00 0.00 C ATOM 571 C MET A 170 3.362 -3.454 -1.024 1.00 0.00 C ATOM 572 O MET A 170 3.950 -3.890 -2.014 1.00 0.00 O ATOM 573 CB MET A 170 4.646 -3.201 1.108 1.00 0.00 C ATOM 574 CG MET A 170 4.785 -3.571 2.576 1.00 0.00 C ATOM 575 SD MET A 170 5.648 -2.310 3.532 1.00 0.00 S ATOM 576 CE MET A 170 7.353 -2.773 3.241 1.00 0.00 C ATOM 0 H MET A 170 5.046 -5.531 -0.016 1.00 0.00 H new ATOM 0 HA MET A 170 2.676 -4.038 0.915 1.00 0.00 H new ATOM 0 HB2 MET A 170 5.615 -3.310 0.621 1.00 0.00 H new ATOM 0 HB3 MET A 170 4.367 -2.150 1.032 1.00 0.00 H new ATOM 0 HG2 MET A 170 3.794 -3.729 3.002 1.00 0.00 H new ATOM 0 HG3 MET A 170 5.323 -4.516 2.659 1.00 0.00 H new ATOM 0 HE1 MET A 170 8.012 -2.084 3.769 1.00 0.00 H new ATOM 0 HE2 MET A 170 7.522 -3.787 3.604 1.00 0.00 H new ATOM 0 HE3 MET A 170 7.564 -2.730 2.173 1.00 0.00 H new ATOM 586 N VAL A 171 2.485 -2.457 -1.085 1.00 0.00 N ATOM 587 CA VAL A 171 2.156 -1.804 -2.347 1.00 0.00 C ATOM 588 C VAL A 171 3.411 -1.297 -3.047 1.00 0.00 C ATOM 589 O VAL A 171 3.565 -1.454 -4.258 1.00 0.00 O ATOM 590 CB VAL A 171 1.188 -0.625 -2.133 1.00 0.00 C ATOM 591 CG1 VAL A 171 1.778 0.379 -1.153 1.00 0.00 C ATOM 592 CG2 VAL A 171 0.861 0.043 -3.460 1.00 0.00 C ATOM 0 H VAL A 171 1.989 -2.084 -0.275 1.00 0.00 H new ATOM 0 HA VAL A 171 1.672 -2.553 -2.974 1.00 0.00 H new ATOM 0 HB VAL A 171 0.261 -1.011 -1.708 1.00 0.00 H new ATOM 0 HG11 VAL A 171 1.080 1.205 -1.014 1.00 0.00 H new ATOM 0 HG12 VAL A 171 1.957 -0.110 -0.195 1.00 0.00 H new ATOM 0 HG13 VAL A 171 2.720 0.762 -1.547 1.00 0.00 H new ATOM 0 HG21 VAL A 171 0.176 0.874 -3.290 1.00 0.00 H new ATOM 0 HG22 VAL A 171 1.778 0.416 -3.915 1.00 0.00 H new ATOM 0 HG23 VAL A 171 0.394 -0.682 -4.127 1.00 0.00 H new ATOM 602 N ALA A 172 4.307 -0.688 -2.276 1.00 0.00 N ATOM 603 CA ALA A 172 5.551 -0.160 -2.822 1.00 0.00 C ATOM 604 C ALA A 172 6.471 -1.286 -3.280 1.00 0.00 C ATOM 605 O ALA A 172 7.534 -1.039 -3.850 1.00 0.00 O ATOM 606 CB ALA A 172 6.252 0.711 -1.790 1.00 0.00 C ATOM 0 H ALA A 172 4.194 -0.548 -1.272 1.00 0.00 H new ATOM 0 HA ALA A 172 5.308 0.451 -3.691 1.00 0.00 H new ATOM 0 HB1 ALA A 172 7.180 1.099 -2.211 1.00 0.00 H new ATOM 0 HB2 ALA A 172 5.603 1.542 -1.514 1.00 0.00 H new ATOM 0 HB3 ALA A 172 6.476 0.117 -0.904 1.00 0.00 H new ATOM 612 N SER A 173 6.056 -2.523 -3.027 1.00 0.00 N ATOM 613 CA SER A 173 6.846 -3.687 -3.410 1.00 0.00 C ATOM 614 C SER A 173 6.161 -4.464 -4.530 1.00 0.00 C ATOM 615 O SER A 173 6.820 -5.012 -5.415 1.00 0.00 O ATOM 616 CB SER A 173 7.067 -4.600 -2.202 1.00 0.00 C ATOM 617 OG SER A 173 8.084 -4.090 -1.357 1.00 0.00 O ATOM 0 H SER A 173 5.177 -2.745 -2.559 1.00 0.00 H new ATOM 0 HA SER A 173 7.812 -3.336 -3.773 1.00 0.00 H new ATOM 0 HB2 SER A 173 6.138 -4.697 -1.640 1.00 0.00 H new ATOM 0 HB3 SER A 173 7.339 -5.599 -2.542 1.00 0.00 H new ATOM 0 HG SER A 173 8.205 -4.690 -0.592 1.00 0.00 H new ATOM 623 N CYS A 174 4.834 -4.508 -4.485 1.00 0.00 N ATOM 624 CA CYS A 174 4.057 -5.217 -5.495 1.00 0.00 C ATOM 625 C CYS A 174 4.701 -5.081 -6.872 1.00 0.00 C ATOM 626 O CYS A 174 5.014 -3.983 -7.332 1.00 0.00 O ATOM 627 CB CYS A 174 2.624 -4.682 -5.534 1.00 0.00 C ATOM 628 SG CYS A 174 1.427 -5.821 -6.301 1.00 0.00 S ATOM 0 H CYS A 174 4.274 -4.061 -3.759 1.00 0.00 H new ATOM 0 HA CYS A 174 4.036 -6.273 -5.227 1.00 0.00 H new ATOM 0 HB2 CYS A 174 2.301 -4.464 -4.516 1.00 0.00 H new ATOM 0 HB3 CYS A 174 2.614 -3.739 -6.081 1.00 0.00 H new ATOM 0 HG CYS A 174 1.270 -6.863 -5.539 1.00 0.00 H new ATOM 633 N PRO A 175 4.903 -6.223 -7.545 1.00 0.00 N ATOM 634 CA PRO A 175 5.511 -6.259 -8.879 1.00 0.00 C ATOM 635 C PRO A 175 4.594 -5.675 -9.949 1.00 0.00 C ATOM 636 O PRO A 175 5.024 -4.876 -10.782 1.00 0.00 O ATOM 637 CB PRO A 175 5.738 -7.752 -9.126 1.00 0.00 C ATOM 638 CG PRO A 175 4.725 -8.435 -8.273 1.00 0.00 C ATOM 639 CD PRO A 175 4.555 -7.568 -7.057 1.00 0.00 C ATOM 0 HA PRO A 175 6.422 -5.662 -8.928 1.00 0.00 H new ATOM 0 HB2 PRO A 175 5.605 -8.004 -10.178 1.00 0.00 H new ATOM 0 HB3 PRO A 175 6.751 -8.049 -8.853 1.00 0.00 H new ATOM 0 HG2 PRO A 175 3.781 -8.550 -8.805 1.00 0.00 H new ATOM 0 HG3 PRO A 175 5.059 -9.435 -7.996 1.00 0.00 H new ATOM 0 HD2 PRO A 175 3.534 -7.606 -6.676 1.00 0.00 H new ATOM 0 HD3 PRO A 175 5.210 -7.883 -6.245 1.00 0.00 H new ATOM 647 N LEU A 176 3.328 -6.079 -9.921 1.00 0.00 N ATOM 648 CA LEU A 176 2.350 -5.596 -10.889 1.00 0.00 C ATOM 649 C LEU A 176 2.391 -4.075 -10.992 1.00 0.00 C ATOM 650 O LEU A 176 2.371 -3.515 -12.089 1.00 0.00 O ATOM 651 CB LEU A 176 0.944 -6.053 -10.494 1.00 0.00 C ATOM 652 CG LEU A 176 0.760 -7.558 -10.295 1.00 0.00 C ATOM 653 CD1 LEU A 176 -0.519 -7.841 -9.521 1.00 0.00 C ATOM 654 CD2 LEU A 176 0.743 -8.276 -11.637 1.00 0.00 C ATOM 0 H LEU A 176 2.956 -6.739 -9.239 1.00 0.00 H new ATOM 0 HA LEU A 176 2.602 -6.015 -11.863 1.00 0.00 H new ATOM 0 HB2 LEU A 176 0.665 -5.548 -9.569 1.00 0.00 H new ATOM 0 HB3 LEU A 176 0.246 -5.720 -11.262 1.00 0.00 H new ATOM 0 HG LEU A 176 1.603 -7.934 -9.715 1.00 0.00 H new ATOM 0 HD11 LEU A 176 -0.634 -8.917 -9.389 1.00 0.00 H new ATOM 0 HD12 LEU A 176 -0.468 -7.359 -8.545 1.00 0.00 H new ATOM 0 HD13 LEU A 176 -1.373 -7.450 -10.074 1.00 0.00 H new ATOM 0 HD21 LEU A 176 0.611 -9.346 -11.476 1.00 0.00 H new ATOM 0 HD22 LEU A 176 -0.080 -7.896 -12.242 1.00 0.00 H new ATOM 0 HD23 LEU A 176 1.686 -8.101 -12.155 1.00 0.00 H new ATOM 666 N LYS A 177 2.452 -3.410 -9.843 1.00 0.00 N ATOM 667 CA LYS A 177 2.501 -1.954 -9.803 1.00 0.00 C ATOM 668 C LYS A 177 3.544 -1.417 -10.777 1.00 0.00 C ATOM 669 O LYS A 177 3.273 -0.493 -11.544 1.00 0.00 O ATOM 670 CB LYS A 177 2.817 -1.473 -8.385 1.00 0.00 C ATOM 671 CG LYS A 177 2.916 0.038 -8.263 1.00 0.00 C ATOM 672 CD LYS A 177 3.353 0.458 -6.869 1.00 0.00 C ATOM 673 CE LYS A 177 4.865 0.393 -6.716 1.00 0.00 C ATOM 674 NZ LYS A 177 5.547 1.476 -7.478 1.00 0.00 N ATOM 0 H LYS A 177 2.469 -3.857 -8.926 1.00 0.00 H new ATOM 0 HA LYS A 177 1.523 -1.575 -10.100 1.00 0.00 H new ATOM 0 HB2 LYS A 177 2.043 -1.834 -7.707 1.00 0.00 H new ATOM 0 HB3 LYS A 177 3.758 -1.918 -8.061 1.00 0.00 H new ATOM 0 HG2 LYS A 177 3.626 0.417 -8.998 1.00 0.00 H new ATOM 0 HG3 LYS A 177 1.950 0.487 -8.493 1.00 0.00 H new ATOM 0 HD2 LYS A 177 3.009 1.473 -6.669 1.00 0.00 H new ATOM 0 HD3 LYS A 177 2.883 -0.189 -6.129 1.00 0.00 H new ATOM 0 HE2 LYS A 177 5.127 0.471 -5.661 1.00 0.00 H new ATOM 0 HE3 LYS A 177 5.224 -0.576 -7.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 6.522 1.583 -7.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 5.563 1.232 -8.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 5.033 2.370 -7.346 1.00 0.00 H new ATOM 688 N ALA A 178 4.736 -2.003 -10.743 1.00 0.00 N ATOM 689 CA ALA A 178 5.818 -1.585 -11.626 1.00 0.00 C ATOM 690 C ALA A 178 5.359 -1.554 -13.080 1.00 0.00 C ATOM 691 O ALA A 178 5.462 -0.528 -13.751 1.00 0.00 O ATOM 692 CB ALA A 178 7.015 -2.511 -11.468 1.00 0.00 C ATOM 0 H ALA A 178 4.977 -2.769 -10.114 1.00 0.00 H new ATOM 0 HA ALA A 178 6.114 -0.575 -11.344 1.00 0.00 H new ATOM 0 HB1 ALA A 178 7.816 -2.187 -12.133 1.00 0.00 H new ATOM 0 HB2 ALA A 178 7.365 -2.480 -10.436 1.00 0.00 H new ATOM 0 HB3 ALA A 178 6.723 -3.530 -11.721 1.00 0.00 H new