USER MOD reduce.3.24.130724 H: found=0, std=0, add=319, rem=0, adj=14 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 155:sc= -1.01 USER MOD Set 1.2: A 164 CYS SG : rot -42:sc= -3.27 USER MOD Set 1.3: A 166 SER OG : rot 140:sc= -0.131 USER MOD Set 1.4: A 169 HIS : no HD1:sc= -2.29! X(o=-6.1!,f=-6.5) USER MOD Set 1.5: A 174 CYS SG : rot -143:sc= 0.562 USER MOD Set 2.1: A 140 TYR OH : rot -106:sc= -0.893 USER MOD Set 2.2: A 162 HIS : no HD1:sc= -4.91! C(o=-5.8!,f=-9.8!) USER MOD Set 3.1: A 139 CYS SG : rot 160:sc= -2.51 USER MOD Set 3.2: A 142 CYS SG : rot -50:sc= -1.03! USER MOD Set 3.3: A 147 HIS :FLIP no HE2:sc= -1.71 F(o=-7.5!,f=-5.2) USER MOD Set 3.4: A 152 CYS SG : rot 180:sc= 0.00833 USER MOD Single : A 141 ASN : amide:sc= -0.226 K(o=-0.23,f=-2.1!) USER MOD Single : A 148 HIS : no HD1:sc= -0.423 K(o=-0.42,f=-1.8) USER MOD Single : A 150 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.445) USER MOD Single : A 153 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.627) USER MOD Single : A 157 GLN : amide:sc= -0.0614 X(o=-0.061,f=-0.061) USER MOD Single : A 159 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 GLN : amide:sc= -0.342 K(o=-0.34,f=-3.2!) USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD Single : A 170 MET CE :methyl -127:sc= 0 (180deg=-0.0678) USER MOD Single : A 173 SER OG : rot 180:sc= 0 USER MOD Single : A 177 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 137 -16.565 9.068 1.808 1.00 0.00 N ATOM 67 CA ASP A 137 -17.005 10.450 1.656 1.00 0.00 C ATOM 68 C ASP A 137 -15.811 11.397 1.589 1.00 0.00 C ATOM 69 O ASP A 137 -15.806 12.352 0.812 1.00 0.00 O ATOM 70 CB ASP A 137 -17.921 10.847 2.815 1.00 0.00 C ATOM 71 CG ASP A 137 -18.433 12.268 2.688 1.00 0.00 C ATOM 72 OD1 ASP A 137 -17.629 13.160 2.346 1.00 0.00 O ATOM 73 OD2 ASP A 137 -19.638 12.488 2.931 1.00 0.00 O ATOM 0 HA ASP A 137 -17.560 10.527 0.721 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -18.767 10.161 2.857 1.00 0.00 H new ATOM 0 HB3 ASP A 137 -17.379 10.742 3.755 1.00 0.00 H new ATOM 78 N ARG A 138 -14.800 11.126 2.408 1.00 0.00 N ATOM 79 CA ARG A 138 -13.601 11.955 2.444 1.00 0.00 C ATOM 80 C ARG A 138 -12.350 11.094 2.587 1.00 0.00 C ATOM 81 O ARG A 138 -12.433 9.903 2.888 1.00 0.00 O ATOM 82 CB ARG A 138 -13.681 12.955 3.598 1.00 0.00 C ATOM 83 CG ARG A 138 -13.536 12.316 4.969 1.00 0.00 C ATOM 84 CD ARG A 138 -14.844 11.697 5.437 1.00 0.00 C ATOM 85 NE ARG A 138 -14.788 11.294 6.840 1.00 0.00 N ATOM 86 CZ ARG A 138 -15.454 10.256 7.333 1.00 0.00 C ATOM 87 NH1 ARG A 138 -16.222 9.520 6.541 1.00 0.00 N ATOM 88 NH2 ARG A 138 -15.352 9.952 8.620 1.00 0.00 N ATOM 0 H ARG A 138 -14.787 10.338 3.056 1.00 0.00 H new ATOM 0 HA ARG A 138 -13.539 12.502 1.503 1.00 0.00 H new ATOM 0 HB2 ARG A 138 -12.901 13.705 3.472 1.00 0.00 H new ATOM 0 HB3 ARG A 138 -14.636 13.477 3.549 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -12.762 11.550 4.934 1.00 0.00 H new ATOM 0 HG3 ARG A 138 -13.210 13.067 5.689 1.00 0.00 H new ATOM 0 HD2 ARG A 138 -15.654 12.413 5.298 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -15.076 10.829 4.820 1.00 0.00 H new ATOM 0 HE ARG A 138 -14.206 11.839 7.476 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -16.302 9.751 5.551 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -16.732 8.723 6.922 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -14.762 10.516 9.232 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -15.864 9.155 8.998 1.00 0.00 H new ATOM 102 N CYS A 139 -11.190 11.705 2.370 1.00 0.00 N ATOM 103 CA CYS A 139 -9.920 10.996 2.474 1.00 0.00 C ATOM 104 C CYS A 139 -9.848 10.196 3.772 1.00 0.00 C ATOM 105 O CYS A 139 -9.863 10.763 4.865 1.00 0.00 O ATOM 106 CB CYS A 139 -8.754 11.984 2.406 1.00 0.00 C ATOM 107 SG CYS A 139 -7.168 11.302 2.988 1.00 0.00 S ATOM 0 H CYS A 139 -11.103 12.690 2.121 1.00 0.00 H new ATOM 0 HA CYS A 139 -9.850 10.302 1.636 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -8.637 12.321 1.376 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -9.001 12.862 3.002 1.00 0.00 H new ATOM 0 HG CYS A 139 -6.190 12.020 2.522 1.00 0.00 H new ATOM 112 N TYR A 140 -9.771 8.876 3.643 1.00 0.00 N ATOM 113 CA TYR A 140 -9.700 7.998 4.805 1.00 0.00 C ATOM 114 C TYR A 140 -8.262 7.863 5.298 1.00 0.00 C ATOM 115 O TYR A 140 -7.820 6.776 5.666 1.00 0.00 O ATOM 116 CB TYR A 140 -10.265 6.618 4.463 1.00 0.00 C ATOM 117 CG TYR A 140 -9.524 5.921 3.345 1.00 0.00 C ATOM 118 CD1 TYR A 140 -9.857 6.149 2.015 1.00 0.00 C ATOM 119 CD2 TYR A 140 -8.490 5.034 3.618 1.00 0.00 C ATOM 120 CE1 TYR A 140 -9.183 5.513 0.991 1.00 0.00 C ATOM 121 CE2 TYR A 140 -7.809 4.394 2.599 1.00 0.00 C ATOM 122 CZ TYR A 140 -8.160 4.637 1.288 1.00 0.00 C ATOM 123 OH TYR A 140 -7.485 4.003 0.270 1.00 0.00 O ATOM 0 H TYR A 140 -9.756 8.391 2.746 1.00 0.00 H new ATOM 0 HA TYR A 140 -10.298 8.441 5.601 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -10.234 5.991 5.354 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -11.313 6.723 4.183 1.00 0.00 H new ATOM 0 HD1 TYR A 140 -10.657 6.835 1.778 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -8.213 4.841 4.644 1.00 0.00 H new ATOM 0 HE1 TYR A 140 -9.456 5.701 -0.037 1.00 0.00 H new ATOM 0 HE2 TYR A 140 -7.007 3.708 2.829 1.00 0.00 H new ATOM 0 HH TYR A 140 -7.760 3.063 0.231 1.00 0.00 H new ATOM 133 N ASN A 141 -7.538 8.978 5.302 1.00 0.00 N ATOM 134 CA ASN A 141 -6.150 8.986 5.750 1.00 0.00 C ATOM 135 C ASN A 141 -5.904 10.121 6.739 1.00 0.00 C ATOM 136 O ASN A 141 -5.511 9.889 7.883 1.00 0.00 O ATOM 137 CB ASN A 141 -5.207 9.123 4.553 1.00 0.00 C ATOM 138 CG ASN A 141 -3.783 8.727 4.891 1.00 0.00 C ATOM 139 OD1 ASN A 141 -3.319 8.931 6.013 1.00 0.00 O ATOM 140 ND2 ASN A 141 -3.081 8.157 3.918 1.00 0.00 N ATOM 0 H ASN A 141 -7.889 9.887 5.000 1.00 0.00 H new ATOM 0 HA ASN A 141 -5.951 8.040 6.254 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -5.570 8.501 3.735 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -5.220 10.154 4.199 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -2.117 7.869 4.086 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -3.506 8.007 3.003 1.00 0.00 H new ATOM 147 N CYS A 142 -6.139 11.350 6.291 1.00 0.00 N ATOM 148 CA CYS A 142 -5.944 12.522 7.135 1.00 0.00 C ATOM 149 C CYS A 142 -7.275 13.207 7.431 1.00 0.00 C ATOM 150 O CYS A 142 -7.559 13.567 8.573 1.00 0.00 O ATOM 151 CB CYS A 142 -4.989 13.509 6.460 1.00 0.00 C ATOM 152 SG CYS A 142 -5.712 14.387 5.036 1.00 0.00 S ATOM 0 H CYS A 142 -6.465 11.560 5.347 1.00 0.00 H new ATOM 0 HA CYS A 142 -5.508 12.191 8.078 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -4.661 14.242 7.197 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -4.101 12.970 6.129 1.00 0.00 H new ATOM 0 HG CYS A 142 -6.252 13.527 4.225 1.00 0.00 H new ATOM 157 N GLY A 143 -8.087 13.384 6.393 1.00 0.00 N ATOM 158 CA GLY A 143 -9.378 14.025 6.563 1.00 0.00 C ATOM 159 C GLY A 143 -9.559 15.216 5.644 1.00 0.00 C ATOM 160 O GLY A 143 -10.152 16.223 6.030 1.00 0.00 O ATOM 0 H GLY A 143 -7.874 13.095 5.438 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -10.169 13.299 6.372 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -9.486 14.349 7.598 1.00 0.00 H new ATOM 164 N GLY A 144 -9.045 15.104 4.423 1.00 0.00 N ATOM 165 CA GLY A 144 -9.162 16.189 3.466 1.00 0.00 C ATOM 166 C GLY A 144 -10.478 16.161 2.715 1.00 0.00 C ATOM 167 O GLY A 144 -10.818 15.163 2.079 1.00 0.00 O ATOM 0 H GLY A 144 -8.550 14.281 4.079 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -9.065 17.141 3.988 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -8.339 16.131 2.753 1.00 0.00 H new ATOM 171 N LEU A 145 -11.223 17.258 2.791 1.00 0.00 N ATOM 172 CA LEU A 145 -12.512 17.356 2.114 1.00 0.00 C ATOM 173 C LEU A 145 -12.331 17.737 0.648 1.00 0.00 C ATOM 174 O LEU A 145 -12.990 17.185 -0.233 1.00 0.00 O ATOM 175 CB LEU A 145 -13.401 18.385 2.814 1.00 0.00 C ATOM 176 CG LEU A 145 -13.568 18.212 4.324 1.00 0.00 C ATOM 177 CD1 LEU A 145 -14.274 19.417 4.925 1.00 0.00 C ATOM 178 CD2 LEU A 145 -14.335 16.934 4.632 1.00 0.00 C ATOM 0 H LEU A 145 -10.957 18.092 3.314 1.00 0.00 H new ATOM 0 HA LEU A 145 -12.993 16.379 2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -12.991 19.377 2.625 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -14.389 18.355 2.354 1.00 0.00 H new ATOM 0 HG LEU A 145 -12.578 18.136 4.773 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -14.384 19.276 6.000 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -13.686 20.315 4.735 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -15.259 19.525 4.471 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -14.445 16.827 5.711 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -15.321 16.981 4.170 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -13.789 16.078 4.236 1.00 0.00 H new ATOM 190 N ASP A 146 -11.431 18.681 0.395 1.00 0.00 N ATOM 191 CA ASP A 146 -11.160 19.133 -0.964 1.00 0.00 C ATOM 192 C ASP A 146 -10.480 18.036 -1.777 1.00 0.00 C ATOM 193 O ASP A 146 -10.927 17.692 -2.872 1.00 0.00 O ATOM 194 CB ASP A 146 -10.283 20.386 -0.942 1.00 0.00 C ATOM 195 CG ASP A 146 -8.989 20.174 -0.181 1.00 0.00 C ATOM 196 OD1 ASP A 146 -9.013 20.262 1.065 1.00 0.00 O ATOM 197 OD2 ASP A 146 -7.953 19.921 -0.830 1.00 0.00 O ATOM 0 H ASP A 146 -10.877 19.148 1.113 1.00 0.00 H new ATOM 0 HA ASP A 146 -12.112 19.373 -1.437 1.00 0.00 H new ATOM 0 HB2 ASP A 146 -10.055 20.684 -1.965 1.00 0.00 H new ATOM 0 HB3 ASP A 146 -10.838 21.207 -0.487 1.00 0.00 H new ATOM 202 N HIS A 147 -9.396 17.490 -1.234 1.00 0.00 N ATOM 203 CA HIS A 147 -8.653 16.431 -1.909 1.00 0.00 C ATOM 204 C HIS A 147 -9.169 15.057 -1.495 1.00 0.00 C ATOM 205 O HIS A 147 -9.770 14.903 -0.431 1.00 0.00 O ATOM 206 CB HIS A 147 -7.162 16.545 -1.594 1.00 0.00 C ATOM 207 CG HIS A 147 -6.794 16.023 -0.240 1.00 0.00 C ATOM 208 ND1 HIS A 147 -6.785 14.762 0.251 1.00 0.00 N flip ATOM 209 CD2 HIS A 147 -6.375 16.837 0.792 1.00 0.00 C flip ATOM 210 CE1 HIS A 147 -6.365 14.835 1.556 1.00 0.00 C flip ATOM 211 NE2 HIS A 147 -6.123 16.098 1.858 1.00 0.00 N flip ATOM 0 H HIS A 147 -9.013 17.763 -0.329 1.00 0.00 H new ATOM 0 HA HIS A 147 -8.799 16.546 -2.983 1.00 0.00 H new ATOM 0 HB2 HIS A 147 -6.597 16.000 -2.350 1.00 0.00 H new ATOM 0 HB3 HIS A 147 -6.863 17.591 -1.665 1.00 0.00 H new ATOM 0 HD1 HIS A 147 -7.043 13.914 -0.255 1.00 0.00 H new ATOM 0 HD2 HIS A 147 -6.269 17.910 0.737 1.00 0.00 H new ATOM 0 HE1 HIS A 147 -6.251 13.996 2.227 1.00 0.00 H new ATOM 219 N HIS A 148 -8.932 14.060 -2.342 1.00 0.00 N ATOM 220 CA HIS A 148 -9.373 12.698 -2.064 1.00 0.00 C ATOM 221 C HIS A 148 -8.223 11.855 -1.522 1.00 0.00 C ATOM 222 O HIS A 148 -7.053 12.190 -1.709 1.00 0.00 O ATOM 223 CB HIS A 148 -9.941 12.055 -3.329 1.00 0.00 C ATOM 224 CG HIS A 148 -10.698 10.789 -3.069 1.00 0.00 C ATOM 225 ND1 HIS A 148 -11.450 10.582 -1.933 1.00 0.00 N ATOM 226 CD2 HIS A 148 -10.816 9.661 -3.808 1.00 0.00 C ATOM 227 CE1 HIS A 148 -11.998 9.380 -1.983 1.00 0.00 C ATOM 228 NE2 HIS A 148 -11.629 8.801 -3.111 1.00 0.00 N ATOM 0 H HIS A 148 -8.437 14.170 -3.227 1.00 0.00 H new ATOM 0 HA HIS A 148 -10.155 12.743 -1.306 1.00 0.00 H new ATOM 0 HB2 HIS A 148 -10.600 12.768 -3.824 1.00 0.00 H new ATOM 0 HB3 HIS A 148 -9.123 11.845 -4.018 1.00 0.00 H new ATOM 0 HD2 HIS A 148 -10.356 9.472 -4.767 1.00 0.00 H new ATOM 0 HE1 HIS A 148 -12.638 8.946 -1.230 1.00 0.00 H new ATOM 0 HE2 HIS A 148 -11.903 7.867 -3.415 1.00 0.00 H new ATOM 236 N ALA A 149 -8.563 10.760 -0.850 1.00 0.00 N ATOM 237 CA ALA A 149 -7.559 9.869 -0.282 1.00 0.00 C ATOM 238 C ALA A 149 -6.443 9.592 -1.283 1.00 0.00 C ATOM 239 O ALA A 149 -5.261 9.706 -0.958 1.00 0.00 O ATOM 240 CB ALA A 149 -8.204 8.566 0.166 1.00 0.00 C ATOM 0 H ALA A 149 -9.527 10.469 -0.686 1.00 0.00 H new ATOM 0 HA ALA A 149 -7.120 10.362 0.585 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -7.443 7.910 0.588 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -8.962 8.776 0.921 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -8.670 8.078 -0.690 1.00 0.00 H new ATOM 246 N LYS A 150 -6.824 9.227 -2.502 1.00 0.00 N ATOM 247 CA LYS A 150 -5.856 8.935 -3.552 1.00 0.00 C ATOM 248 C LYS A 150 -4.961 10.141 -3.819 1.00 0.00 C ATOM 249 O LYS A 150 -3.737 10.021 -3.855 1.00 0.00 O ATOM 250 CB LYS A 150 -6.575 8.525 -4.839 1.00 0.00 C ATOM 251 CG LYS A 150 -7.465 9.615 -5.412 1.00 0.00 C ATOM 252 CD LYS A 150 -8.480 9.050 -6.391 1.00 0.00 C ATOM 253 CE LYS A 150 -7.862 8.814 -7.760 1.00 0.00 C ATOM 254 NZ LYS A 150 -7.266 7.454 -7.873 1.00 0.00 N ATOM 0 H LYS A 150 -7.798 9.126 -2.787 1.00 0.00 H new ATOM 0 HA LYS A 150 -5.231 8.109 -3.214 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -5.833 8.243 -5.586 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -7.180 7.640 -4.641 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -7.985 10.125 -4.601 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -6.850 10.361 -5.915 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -8.878 8.112 -6.004 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -9.320 9.738 -6.484 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -8.624 8.942 -8.529 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -7.093 9.564 -7.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -6.285 7.532 -8.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -7.277 6.992 -6.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -7.819 6.888 -8.547 1.00 0.00 H new ATOM 268 N GLU A 151 -5.581 11.302 -4.005 1.00 0.00 N ATOM 269 CA GLU A 151 -4.840 12.530 -4.268 1.00 0.00 C ATOM 270 C GLU A 151 -3.888 12.847 -3.118 1.00 0.00 C ATOM 271 O GLU A 151 -2.758 13.286 -3.336 1.00 0.00 O ATOM 272 CB GLU A 151 -5.804 13.698 -4.483 1.00 0.00 C ATOM 273 CG GLU A 151 -6.658 13.560 -5.733 1.00 0.00 C ATOM 274 CD GLU A 151 -7.953 14.343 -5.643 1.00 0.00 C ATOM 275 OE1 GLU A 151 -7.902 15.537 -5.283 1.00 0.00 O ATOM 276 OE2 GLU A 151 -9.019 13.760 -5.934 1.00 0.00 O ATOM 0 H GLU A 151 -6.594 11.418 -3.978 1.00 0.00 H new ATOM 0 HA GLU A 151 -4.252 12.383 -5.174 1.00 0.00 H new ATOM 0 HB2 GLU A 151 -6.457 13.784 -3.615 1.00 0.00 H new ATOM 0 HB3 GLU A 151 -5.232 14.624 -4.544 1.00 0.00 H new ATOM 0 HG2 GLU A 151 -6.089 13.904 -6.597 1.00 0.00 H new ATOM 0 HG3 GLU A 151 -6.885 12.507 -5.899 1.00 0.00 H new ATOM 283 N CYS A 152 -4.353 12.623 -1.894 1.00 0.00 N ATOM 284 CA CYS A 152 -3.545 12.885 -0.708 1.00 0.00 C ATOM 285 C CYS A 152 -2.077 12.561 -0.968 1.00 0.00 C ATOM 286 O CYS A 152 -1.755 11.676 -1.762 1.00 0.00 O ATOM 287 CB CYS A 152 -4.059 12.064 0.476 1.00 0.00 C ATOM 288 SG CYS A 152 -3.558 12.713 2.103 1.00 0.00 S ATOM 0 H CYS A 152 -5.286 12.260 -1.697 1.00 0.00 H new ATOM 0 HA CYS A 152 -3.628 13.945 -0.469 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -5.147 12.024 0.432 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -3.698 11.040 0.378 1.00 0.00 H new ATOM 0 HG CYS A 152 -4.042 11.954 3.041 1.00 0.00 H new ATOM 293 N LYS A 153 -1.189 13.283 -0.293 1.00 0.00 N ATOM 294 CA LYS A 153 0.246 13.073 -0.448 1.00 0.00 C ATOM 295 C LYS A 153 0.798 12.230 0.697 1.00 0.00 C ATOM 296 O LYS A 153 1.620 11.337 0.484 1.00 0.00 O ATOM 297 CB LYS A 153 0.976 14.416 -0.505 1.00 0.00 C ATOM 298 CG LYS A 153 0.573 15.277 -1.690 1.00 0.00 C ATOM 299 CD LYS A 153 1.244 16.640 -1.643 1.00 0.00 C ATOM 300 CE LYS A 153 0.416 17.642 -0.853 1.00 0.00 C ATOM 301 NZ LYS A 153 0.818 17.686 0.580 1.00 0.00 N ATOM 0 H LYS A 153 -1.438 14.019 0.367 1.00 0.00 H new ATOM 0 HA LYS A 153 0.411 12.538 -1.383 1.00 0.00 H new ATOM 0 HB2 LYS A 153 0.781 14.966 0.416 1.00 0.00 H new ATOM 0 HB3 LYS A 153 2.050 14.235 -0.547 1.00 0.00 H new ATOM 0 HG2 LYS A 153 0.841 14.770 -2.617 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -0.510 15.403 -1.698 1.00 0.00 H new ATOM 0 HD2 LYS A 153 2.231 16.545 -1.191 1.00 0.00 H new ATOM 0 HD3 LYS A 153 1.392 17.009 -2.658 1.00 0.00 H new ATOM 0 HE2 LYS A 153 0.529 18.633 -1.292 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -0.639 17.379 -0.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -0.014 17.514 1.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 1.533 16.954 0.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 1.216 18.621 0.800 1.00 0.00 H new ATOM 315 N LEU A 154 0.343 12.518 1.911 1.00 0.00 N ATOM 316 CA LEU A 154 0.791 11.785 3.091 1.00 0.00 C ATOM 317 C LEU A 154 1.008 10.311 2.765 1.00 0.00 C ATOM 318 O LEU A 154 0.420 9.762 1.834 1.00 0.00 O ATOM 319 CB LEU A 154 -0.231 11.925 4.220 1.00 0.00 C ATOM 320 CG LEU A 154 -0.277 13.284 4.920 1.00 0.00 C ATOM 321 CD1 LEU A 154 -1.444 13.344 5.893 1.00 0.00 C ATOM 322 CD2 LEU A 154 1.035 13.557 5.640 1.00 0.00 C ATOM 0 H LEU A 154 -0.336 13.254 2.105 1.00 0.00 H new ATOM 0 HA LEU A 154 1.741 12.210 3.415 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -1.221 11.714 3.815 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -0.023 11.160 4.968 1.00 0.00 H new ATOM 0 HG LEU A 154 -0.421 14.056 4.164 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -1.461 14.318 6.382 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -2.378 13.194 5.351 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -1.331 12.563 6.645 1.00 0.00 H new ATOM 0 HD21 LEU A 154 0.985 14.528 6.132 1.00 0.00 H new ATOM 0 HD22 LEU A 154 1.209 12.781 6.385 1.00 0.00 H new ATOM 0 HD23 LEU A 154 1.852 13.558 4.919 1.00 0.00 H new ATOM 334 N PRO A 155 1.872 9.653 3.553 1.00 0.00 N ATOM 335 CA PRO A 155 2.185 8.232 3.370 1.00 0.00 C ATOM 336 C PRO A 155 1.013 7.329 3.734 1.00 0.00 C ATOM 337 O PRO A 155 0.315 7.546 4.725 1.00 0.00 O ATOM 338 CB PRO A 155 3.357 8.001 4.328 1.00 0.00 C ATOM 339 CG PRO A 155 3.201 9.048 5.376 1.00 0.00 C ATOM 340 CD PRO A 155 2.609 10.244 4.682 1.00 0.00 C ATOM 0 HA PRO A 155 2.413 7.995 2.331 1.00 0.00 H new ATOM 0 HB2 PRO A 155 3.324 7.001 4.760 1.00 0.00 H new ATOM 0 HB3 PRO A 155 4.313 8.095 3.814 1.00 0.00 H new ATOM 0 HG2 PRO A 155 2.551 8.702 6.180 1.00 0.00 H new ATOM 0 HG3 PRO A 155 4.162 9.295 5.827 1.00 0.00 H new ATOM 0 HD2 PRO A 155 1.949 10.806 5.343 1.00 0.00 H new ATOM 0 HD3 PRO A 155 3.381 10.934 4.341 1.00 0.00 H new ATOM 348 N PRO A 156 0.789 6.289 2.916 1.00 0.00 N ATOM 349 CA PRO A 156 -0.299 5.331 3.133 1.00 0.00 C ATOM 350 C PRO A 156 -0.057 4.446 4.352 1.00 0.00 C ATOM 351 O PRO A 156 1.082 4.099 4.661 1.00 0.00 O ATOM 352 CB PRO A 156 -0.293 4.492 1.853 1.00 0.00 C ATOM 353 CG PRO A 156 1.101 4.596 1.339 1.00 0.00 C ATOM 354 CD PRO A 156 1.581 5.970 1.717 1.00 0.00 C ATOM 0 HA PRO A 156 -1.249 5.829 3.328 1.00 0.00 H new ATOM 0 HB2 PRO A 156 -0.563 3.456 2.057 1.00 0.00 H new ATOM 0 HB3 PRO A 156 -1.012 4.872 1.127 1.00 0.00 H new ATOM 0 HG2 PRO A 156 1.737 3.826 1.777 1.00 0.00 H new ATOM 0 HG3 PRO A 156 1.130 4.456 0.258 1.00 0.00 H new ATOM 0 HD2 PRO A 156 2.650 5.978 1.928 1.00 0.00 H new ATOM 0 HD3 PRO A 156 1.408 6.690 0.917 1.00 0.00 H new ATOM 362 N GLN A 157 -1.137 4.084 5.038 1.00 0.00 N ATOM 363 CA GLN A 157 -1.040 3.240 6.222 1.00 0.00 C ATOM 364 C GLN A 157 -0.172 2.016 5.950 1.00 0.00 C ATOM 365 O GLN A 157 -0.043 1.557 4.815 1.00 0.00 O ATOM 366 CB GLN A 157 -2.434 2.800 6.675 1.00 0.00 C ATOM 367 CG GLN A 157 -3.375 3.959 6.962 1.00 0.00 C ATOM 368 CD GLN A 157 -2.889 4.838 8.097 1.00 0.00 C ATOM 369 OE1 GLN A 157 -3.091 4.525 9.271 1.00 0.00 O ATOM 370 NE2 GLN A 157 -2.242 5.946 7.753 1.00 0.00 N ATOM 0 H GLN A 157 -2.088 4.362 4.794 1.00 0.00 H new ATOM 0 HA GLN A 157 -0.574 3.824 7.016 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -2.875 2.168 5.904 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -2.339 2.189 7.573 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -3.486 4.563 6.062 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -4.362 3.568 7.207 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -2.097 6.167 6.768 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -1.890 6.576 8.474 1.00 0.00 H new ATOM 379 N PRO A 158 0.441 1.475 7.013 1.00 0.00 N ATOM 380 CA PRO A 158 1.308 0.298 6.914 1.00 0.00 C ATOM 381 C PRO A 158 0.527 -0.972 6.594 1.00 0.00 C ATOM 382 O PRO A 158 1.076 -2.074 6.618 1.00 0.00 O ATOM 383 CB PRO A 158 1.938 0.203 8.306 1.00 0.00 C ATOM 384 CG PRO A 158 0.963 0.875 9.209 1.00 0.00 C ATOM 385 CD PRO A 158 0.332 1.971 8.396 1.00 0.00 C ATOM 0 HA PRO A 158 2.036 0.394 6.108 1.00 0.00 H new ATOM 0 HB2 PRO A 158 2.098 -0.835 8.598 1.00 0.00 H new ATOM 0 HB3 PRO A 158 2.910 0.696 8.335 1.00 0.00 H new ATOM 0 HG2 PRO A 158 0.211 0.171 9.565 1.00 0.00 H new ATOM 0 HG3 PRO A 158 1.462 1.280 10.089 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -0.706 2.137 8.683 1.00 0.00 H new ATOM 0 HD3 PRO A 158 0.854 2.919 8.525 1.00 0.00 H new ATOM 393 N LYS A 159 -0.758 -0.812 6.295 1.00 0.00 N ATOM 394 CA LYS A 159 -1.615 -1.945 5.969 1.00 0.00 C ATOM 395 C LYS A 159 -1.284 -2.498 4.587 1.00 0.00 C ATOM 396 O LYS A 159 -0.356 -2.030 3.926 1.00 0.00 O ATOM 397 CB LYS A 159 -3.087 -1.530 6.025 1.00 0.00 C ATOM 398 CG LYS A 159 -3.668 -1.534 7.428 1.00 0.00 C ATOM 399 CD LYS A 159 -3.068 -0.430 8.283 1.00 0.00 C ATOM 400 CE LYS A 159 -3.595 -0.481 9.709 1.00 0.00 C ATOM 401 NZ LYS A 159 -3.512 0.847 10.378 1.00 0.00 N ATOM 0 H LYS A 159 -1.229 0.093 6.272 1.00 0.00 H new ATOM 0 HA LYS A 159 -1.436 -2.728 6.706 1.00 0.00 H new ATOM 0 HB2 LYS A 159 -3.190 -0.531 5.601 1.00 0.00 H new ATOM 0 HB3 LYS A 159 -3.670 -2.204 5.398 1.00 0.00 H new ATOM 0 HG2 LYS A 159 -4.749 -1.408 7.375 1.00 0.00 H new ATOM 0 HG3 LYS A 159 -3.482 -2.500 7.897 1.00 0.00 H new ATOM 0 HD2 LYS A 159 -1.982 -0.524 8.292 1.00 0.00 H new ATOM 0 HD3 LYS A 159 -3.300 0.540 7.843 1.00 0.00 H new ATOM 0 HE2 LYS A 159 -4.631 -0.820 9.702 1.00 0.00 H new ATOM 0 HE3 LYS A 159 -3.024 -1.212 10.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 -3.880 0.771 11.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -2.520 1.159 10.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 -4.077 1.539 9.846 1.00 0.00 H new ATOM 415 N LYS A 160 -2.048 -3.494 4.154 1.00 0.00 N ATOM 416 CA LYS A 160 -1.839 -4.109 2.849 1.00 0.00 C ATOM 417 C LYS A 160 -2.229 -3.152 1.727 1.00 0.00 C ATOM 418 O LYS A 160 -3.037 -2.244 1.925 1.00 0.00 O ATOM 419 CB LYS A 160 -2.649 -5.403 2.736 1.00 0.00 C ATOM 420 CG LYS A 160 -4.147 -5.196 2.870 1.00 0.00 C ATOM 421 CD LYS A 160 -4.926 -6.369 2.298 1.00 0.00 C ATOM 422 CE LYS A 160 -4.742 -7.623 3.139 1.00 0.00 C ATOM 423 NZ LYS A 160 -5.584 -8.748 2.647 1.00 0.00 N ATOM 0 H LYS A 160 -2.819 -3.893 4.689 1.00 0.00 H new ATOM 0 HA LYS A 160 -0.779 -4.342 2.751 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -2.440 -5.870 1.773 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -2.316 -6.098 3.507 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -4.404 -5.065 3.921 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -4.436 -4.280 2.355 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -5.985 -6.115 2.249 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -4.597 -6.563 1.277 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -3.693 -7.920 3.124 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -4.996 -7.405 4.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -5.431 -9.584 3.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -6.586 -8.474 2.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -5.324 -8.973 1.665 1.00 0.00 H new ATOM 437 N CYS A 161 -1.653 -3.363 0.548 1.00 0.00 N ATOM 438 CA CYS A 161 -1.942 -2.520 -0.606 1.00 0.00 C ATOM 439 C CYS A 161 -3.445 -2.428 -0.850 1.00 0.00 C ATOM 440 O CYS A 161 -4.116 -3.441 -1.050 1.00 0.00 O ATOM 441 CB CYS A 161 -1.245 -3.070 -1.852 1.00 0.00 C ATOM 442 SG CYS A 161 -1.785 -2.294 -3.409 1.00 0.00 S ATOM 0 H CYS A 161 -0.983 -4.111 0.367 1.00 0.00 H new ATOM 0 HA CYS A 161 -1.564 -1.519 -0.397 1.00 0.00 H new ATOM 0 HB2 CYS A 161 -0.169 -2.933 -1.744 1.00 0.00 H new ATOM 0 HB3 CYS A 161 -1.425 -4.143 -1.912 1.00 0.00 H new ATOM 0 HG CYS A 161 -0.838 -2.393 -4.294 1.00 0.00 H new ATOM 447 N HIS A 162 -3.968 -1.206 -0.831 1.00 0.00 N ATOM 448 CA HIS A 162 -5.392 -0.981 -1.052 1.00 0.00 C ATOM 449 C HIS A 162 -5.700 -0.867 -2.542 1.00 0.00 C ATOM 450 O HIS A 162 -6.540 -0.066 -2.953 1.00 0.00 O ATOM 451 CB HIS A 162 -5.848 0.286 -0.326 1.00 0.00 C ATOM 452 CG HIS A 162 -5.515 1.549 -1.060 1.00 0.00 C ATOM 453 ND1 HIS A 162 -6.474 2.408 -1.553 1.00 0.00 N ATOM 454 CD2 HIS A 162 -4.320 2.097 -1.381 1.00 0.00 C ATOM 455 CE1 HIS A 162 -5.884 3.429 -2.148 1.00 0.00 C ATOM 456 NE2 HIS A 162 -4.576 3.265 -2.057 1.00 0.00 N ATOM 0 H HIS A 162 -3.427 -0.357 -0.665 1.00 0.00 H new ATOM 0 HA HIS A 162 -5.936 -1.836 -0.652 1.00 0.00 H new ATOM 0 HB2 HIS A 162 -6.926 0.239 -0.172 1.00 0.00 H new ATOM 0 HB3 HIS A 162 -5.386 0.316 0.661 1.00 0.00 H new ATOM 0 HD2 HIS A 162 -3.346 1.691 -1.149 1.00 0.00 H new ATOM 0 HE1 HIS A 162 -6.385 4.257 -2.627 1.00 0.00 H new ATOM 0 HE2 HIS A 162 -3.871 3.902 -2.428 1.00 0.00 H new ATOM 464 N PHE A 163 -5.015 -1.672 -3.346 1.00 0.00 N ATOM 465 CA PHE A 163 -5.214 -1.660 -4.790 1.00 0.00 C ATOM 466 C PHE A 163 -5.360 -3.080 -5.331 1.00 0.00 C ATOM 467 O PHE A 163 -6.298 -3.382 -6.069 1.00 0.00 O ATOM 468 CB PHE A 163 -4.044 -0.957 -5.482 1.00 0.00 C ATOM 469 CG PHE A 163 -4.344 -0.544 -6.895 1.00 0.00 C ATOM 470 CD1 PHE A 163 -5.139 0.561 -7.154 1.00 0.00 C ATOM 471 CD2 PHE A 163 -3.831 -1.261 -7.964 1.00 0.00 C ATOM 472 CE1 PHE A 163 -5.416 0.944 -8.453 1.00 0.00 C ATOM 473 CE2 PHE A 163 -4.104 -0.883 -9.265 1.00 0.00 C ATOM 474 CZ PHE A 163 -4.899 0.220 -9.510 1.00 0.00 C ATOM 0 H PHE A 163 -4.317 -2.341 -3.022 1.00 0.00 H new ATOM 0 HA PHE A 163 -6.133 -1.113 -5.000 1.00 0.00 H new ATOM 0 HB2 PHE A 163 -3.768 -0.075 -4.905 1.00 0.00 H new ATOM 0 HB3 PHE A 163 -3.180 -1.621 -5.482 1.00 0.00 H new ATOM 0 HD1 PHE A 163 -5.547 1.130 -6.331 1.00 0.00 H new ATOM 0 HD2 PHE A 163 -3.211 -2.125 -7.778 1.00 0.00 H new ATOM 0 HE1 PHE A 163 -6.036 1.808 -8.641 1.00 0.00 H new ATOM 0 HE2 PHE A 163 -3.696 -1.449 -10.089 1.00 0.00 H new ATOM 0 HZ PHE A 163 -5.116 0.516 -10.526 1.00 0.00 H new ATOM 484 N CYS A 164 -4.425 -3.947 -4.959 1.00 0.00 N ATOM 485 CA CYS A 164 -4.446 -5.335 -5.406 1.00 0.00 C ATOM 486 C CYS A 164 -4.233 -6.287 -4.233 1.00 0.00 C ATOM 487 O CYS A 164 -3.815 -7.430 -4.417 1.00 0.00 O ATOM 488 CB CYS A 164 -3.370 -5.567 -6.468 1.00 0.00 C ATOM 489 SG CYS A 164 -1.665 -5.475 -5.831 1.00 0.00 S ATOM 0 H CYS A 164 -3.642 -3.713 -4.348 1.00 0.00 H new ATOM 0 HA CYS A 164 -5.425 -5.536 -5.841 1.00 0.00 H new ATOM 0 HB2 CYS A 164 -3.525 -6.547 -6.920 1.00 0.00 H new ATOM 0 HB3 CYS A 164 -3.491 -4.828 -7.260 1.00 0.00 H new ATOM 0 HG CYS A 164 -1.565 -4.479 -5.001 1.00 0.00 H new ATOM 494 N GLN A 165 -4.525 -5.808 -3.028 1.00 0.00 N ATOM 495 CA GLN A 165 -4.365 -6.617 -1.825 1.00 0.00 C ATOM 496 C GLN A 165 -3.027 -7.350 -1.837 1.00 0.00 C ATOM 497 O GLN A 165 -2.938 -8.505 -1.419 1.00 0.00 O ATOM 498 CB GLN A 165 -5.511 -7.622 -1.705 1.00 0.00 C ATOM 499 CG GLN A 165 -6.835 -6.991 -1.309 1.00 0.00 C ATOM 500 CD GLN A 165 -7.560 -6.368 -2.486 1.00 0.00 C ATOM 501 OE1 GLN A 165 -7.215 -6.612 -3.642 1.00 0.00 O ATOM 502 NE2 GLN A 165 -8.572 -5.558 -2.196 1.00 0.00 N ATOM 0 H GLN A 165 -4.873 -4.864 -2.859 1.00 0.00 H new ATOM 0 HA GLN A 165 -4.385 -5.950 -0.963 1.00 0.00 H new ATOM 0 HB2 GLN A 165 -5.634 -8.136 -2.658 1.00 0.00 H new ATOM 0 HB3 GLN A 165 -5.244 -8.379 -0.967 1.00 0.00 H new ATOM 0 HG2 GLN A 165 -7.473 -7.749 -0.854 1.00 0.00 H new ATOM 0 HG3 GLN A 165 -6.657 -6.228 -0.551 1.00 0.00 H new ATOM 0 HE21 GLN A 165 -8.823 -5.384 -1.223 1.00 0.00 H new ATOM 0 HE22 GLN A 165 -9.098 -5.110 -2.946 1.00 0.00 H new ATOM 511 N SER A 166 -1.990 -6.672 -2.317 1.00 0.00 N ATOM 512 CA SER A 166 -0.658 -7.261 -2.387 1.00 0.00 C ATOM 513 C SER A 166 0.134 -6.964 -1.117 1.00 0.00 C ATOM 514 O SER A 166 0.989 -6.078 -1.099 1.00 0.00 O ATOM 515 CB SER A 166 0.095 -6.729 -3.608 1.00 0.00 C ATOM 516 OG SER A 166 1.488 -6.961 -3.489 1.00 0.00 O ATOM 0 H SER A 166 -2.046 -5.714 -2.663 1.00 0.00 H new ATOM 0 HA SER A 166 -0.769 -8.341 -2.481 1.00 0.00 H new ATOM 0 HB2 SER A 166 -0.281 -7.211 -4.510 1.00 0.00 H new ATOM 0 HB3 SER A 166 -0.091 -5.660 -3.717 1.00 0.00 H new ATOM 0 HG SER A 166 1.850 -7.232 -4.358 1.00 0.00 H new ATOM 522 N ILE A 167 -0.156 -7.712 -0.058 1.00 0.00 N ATOM 523 CA ILE A 167 0.529 -7.530 1.215 1.00 0.00 C ATOM 524 C ILE A 167 2.037 -7.416 1.017 1.00 0.00 C ATOM 525 O ILE A 167 2.749 -6.896 1.876 1.00 0.00 O ATOM 526 CB ILE A 167 0.237 -8.692 2.183 1.00 0.00 C ATOM 527 CG1 ILE A 167 0.766 -10.008 1.609 1.00 0.00 C ATOM 528 CG2 ILE A 167 -1.257 -8.790 2.457 1.00 0.00 C ATOM 529 CD1 ILE A 167 0.900 -11.106 2.641 1.00 0.00 C ATOM 0 H ILE A 167 -0.861 -8.450 -0.057 1.00 0.00 H new ATOM 0 HA ILE A 167 0.150 -6.604 1.647 1.00 0.00 H new ATOM 0 HB ILE A 167 0.748 -8.497 3.126 1.00 0.00 H new ATOM 0 HG12 ILE A 167 0.097 -10.345 0.817 1.00 0.00 H new ATOM 0 HG13 ILE A 167 1.739 -9.830 1.151 1.00 0.00 H new ATOM 0 HG21 ILE A 167 -1.448 -9.616 3.143 1.00 0.00 H new ATOM 0 HG22 ILE A 167 -1.607 -7.859 2.904 1.00 0.00 H new ATOM 0 HG23 ILE A 167 -1.788 -8.965 1.521 1.00 0.00 H new ATOM 0 HD11 ILE A 167 1.280 -12.009 2.164 1.00 0.00 H new ATOM 0 HD12 ILE A 167 1.592 -10.789 3.421 1.00 0.00 H new ATOM 0 HD13 ILE A 167 -0.075 -11.312 3.082 1.00 0.00 H new ATOM 541 N SER A 168 2.517 -7.905 -0.122 1.00 0.00 N ATOM 542 CA SER A 168 3.941 -7.860 -0.433 1.00 0.00 C ATOM 543 C SER A 168 4.422 -6.419 -0.567 1.00 0.00 C ATOM 544 O SER A 168 5.199 -5.932 0.255 1.00 0.00 O ATOM 545 CB SER A 168 4.227 -8.628 -1.725 1.00 0.00 C ATOM 546 OG SER A 168 5.616 -8.861 -1.883 1.00 0.00 O ATOM 0 H SER A 168 1.941 -8.337 -0.845 1.00 0.00 H new ATOM 0 HA SER A 168 4.482 -8.330 0.388 1.00 0.00 H new ATOM 0 HB2 SER A 168 3.695 -9.579 -1.712 1.00 0.00 H new ATOM 0 HB3 SER A 168 3.850 -8.064 -2.578 1.00 0.00 H new ATOM 0 HG SER A 168 5.772 -9.355 -2.715 1.00 0.00 H new ATOM 552 N HIS A 169 3.955 -5.740 -1.611 1.00 0.00 N ATOM 553 CA HIS A 169 4.337 -4.354 -1.854 1.00 0.00 C ATOM 554 C HIS A 169 3.259 -3.397 -1.352 1.00 0.00 C ATOM 555 O HIS A 169 2.207 -3.826 -0.879 1.00 0.00 O ATOM 556 CB HIS A 169 4.584 -4.125 -3.345 1.00 0.00 C ATOM 557 CG HIS A 169 3.339 -4.189 -4.176 1.00 0.00 C ATOM 558 ND1 HIS A 169 3.213 -5.003 -5.281 1.00 0.00 N ATOM 559 CD2 HIS A 169 2.160 -3.535 -4.055 1.00 0.00 C ATOM 560 CE1 HIS A 169 2.011 -4.846 -5.806 1.00 0.00 C ATOM 561 NE2 HIS A 169 1.352 -3.960 -5.081 1.00 0.00 N ATOM 0 H HIS A 169 3.312 -6.128 -2.301 1.00 0.00 H new ATOM 0 HA HIS A 169 5.258 -4.156 -1.306 1.00 0.00 H new ATOM 0 HB2 HIS A 169 5.052 -3.150 -3.482 1.00 0.00 H new ATOM 0 HB3 HIS A 169 5.291 -4.872 -3.707 1.00 0.00 H new ATOM 0 HD2 HIS A 169 1.903 -2.814 -3.294 1.00 0.00 H new ATOM 0 HE1 HIS A 169 1.632 -5.355 -6.679 1.00 0.00 H new ATOM 0 HE2 HIS A 169 0.398 -3.643 -5.255 1.00 0.00 H new ATOM 569 N MET A 170 3.529 -2.101 -1.459 1.00 0.00 N ATOM 570 CA MET A 170 2.581 -1.084 -1.017 1.00 0.00 C ATOM 571 C MET A 170 1.977 -0.349 -2.209 1.00 0.00 C ATOM 572 O MET A 170 2.561 -0.315 -3.291 1.00 0.00 O ATOM 573 CB MET A 170 3.269 -0.087 -0.083 1.00 0.00 C ATOM 574 CG MET A 170 3.911 -0.736 1.133 1.00 0.00 C ATOM 575 SD MET A 170 4.962 0.403 2.054 1.00 0.00 S ATOM 576 CE MET A 170 6.423 0.428 1.018 1.00 0.00 C ATOM 0 H MET A 170 4.396 -1.729 -1.848 1.00 0.00 H new ATOM 0 HA MET A 170 1.777 -1.583 -0.476 1.00 0.00 H new ATOM 0 HB2 MET A 170 4.033 0.454 -0.642 1.00 0.00 H new ATOM 0 HB3 MET A 170 2.538 0.649 0.252 1.00 0.00 H new ATOM 0 HG2 MET A 170 3.130 -1.117 1.791 1.00 0.00 H new ATOM 0 HG3 MET A 170 4.504 -1.593 0.812 1.00 0.00 H new ATOM 0 HE1 MET A 170 7.301 0.199 1.622 1.00 0.00 H new ATOM 0 HE2 MET A 170 6.322 -0.316 0.228 1.00 0.00 H new ATOM 0 HE3 MET A 170 6.536 1.416 0.573 1.00 0.00 H new ATOM 586 N VAL A 171 0.802 0.239 -2.002 1.00 0.00 N ATOM 587 CA VAL A 171 0.119 0.974 -3.060 1.00 0.00 C ATOM 588 C VAL A 171 1.016 2.061 -3.641 1.00 0.00 C ATOM 589 O VAL A 171 0.911 2.402 -4.819 1.00 0.00 O ATOM 590 CB VAL A 171 -1.182 1.619 -2.545 1.00 0.00 C ATOM 591 CG1 VAL A 171 -0.871 2.731 -1.555 1.00 0.00 C ATOM 592 CG2 VAL A 171 -2.012 2.144 -3.706 1.00 0.00 C ATOM 0 H VAL A 171 0.304 0.220 -1.112 1.00 0.00 H new ATOM 0 HA VAL A 171 -0.125 0.253 -3.840 1.00 0.00 H new ATOM 0 HB VAL A 171 -1.765 0.857 -2.027 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -1.802 3.175 -1.202 1.00 0.00 H new ATOM 0 HG12 VAL A 171 -0.321 2.321 -0.708 1.00 0.00 H new ATOM 0 HG13 VAL A 171 -0.267 3.495 -2.044 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -2.927 2.596 -3.324 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -1.439 2.892 -4.254 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -2.266 1.321 -4.374 1.00 0.00 H new ATOM 602 N ALA A 172 1.899 2.600 -2.808 1.00 0.00 N ATOM 603 CA ALA A 172 2.817 3.647 -3.240 1.00 0.00 C ATOM 604 C ALA A 172 3.746 3.143 -4.338 1.00 0.00 C ATOM 605 O ALA A 172 4.110 3.888 -5.248 1.00 0.00 O ATOM 606 CB ALA A 172 3.625 4.161 -2.057 1.00 0.00 C ATOM 0 H ALA A 172 1.999 2.329 -1.830 1.00 0.00 H new ATOM 0 HA ALA A 172 2.227 4.468 -3.648 1.00 0.00 H new ATOM 0 HB1 ALA A 172 4.306 4.942 -2.394 1.00 0.00 H new ATOM 0 HB2 ALA A 172 2.950 4.568 -1.304 1.00 0.00 H new ATOM 0 HB3 ALA A 172 4.198 3.341 -1.624 1.00 0.00 H new ATOM 612 N SER A 173 4.129 1.873 -4.247 1.00 0.00 N ATOM 613 CA SER A 173 5.020 1.270 -5.232 1.00 0.00 C ATOM 614 C SER A 173 4.232 0.446 -6.245 1.00 0.00 C ATOM 615 O SER A 173 4.704 0.184 -7.352 1.00 0.00 O ATOM 616 CB SER A 173 6.060 0.389 -4.537 1.00 0.00 C ATOM 617 OG SER A 173 6.882 1.154 -3.674 1.00 0.00 O ATOM 0 H SER A 173 3.836 1.242 -3.501 1.00 0.00 H new ATOM 0 HA SER A 173 5.531 2.073 -5.763 1.00 0.00 H new ATOM 0 HB2 SER A 173 5.557 -0.392 -3.967 1.00 0.00 H new ATOM 0 HB3 SER A 173 6.677 -0.109 -5.285 1.00 0.00 H new ATOM 0 HG SER A 173 7.537 0.567 -3.241 1.00 0.00 H new ATOM 623 N CYS A 174 3.028 0.038 -5.858 1.00 0.00 N ATOM 624 CA CYS A 174 2.173 -0.758 -6.730 1.00 0.00 C ATOM 625 C CYS A 174 2.253 -0.262 -8.171 1.00 0.00 C ATOM 626 O CYS A 174 1.910 0.879 -8.481 1.00 0.00 O ATOM 627 CB CYS A 174 0.724 -0.708 -6.242 1.00 0.00 C ATOM 628 SG CYS A 174 -0.383 -1.890 -7.076 1.00 0.00 S ATOM 0 H CYS A 174 2.622 0.246 -4.945 1.00 0.00 H new ATOM 0 HA CYS A 174 2.525 -1.789 -6.699 1.00 0.00 H new ATOM 0 HB2 CYS A 174 0.706 -0.904 -5.170 1.00 0.00 H new ATOM 0 HB3 CYS A 174 0.337 0.301 -6.388 1.00 0.00 H new ATOM 0 HG CYS A 174 -1.552 -1.346 -7.243 1.00 0.00 H new ATOM 633 N PRO A 175 2.717 -1.139 -9.074 1.00 0.00 N ATOM 634 CA PRO A 175 2.853 -0.813 -10.496 1.00 0.00 C ATOM 635 C PRO A 175 1.502 -0.666 -11.189 1.00 0.00 C ATOM 636 O PRO A 175 1.264 0.306 -11.907 1.00 0.00 O ATOM 637 CB PRO A 175 3.616 -2.012 -11.064 1.00 0.00 C ATOM 638 CG PRO A 175 3.301 -3.135 -10.136 1.00 0.00 C ATOM 639 CD PRO A 175 3.144 -2.516 -8.775 1.00 0.00 C ATOM 0 HA PRO A 175 3.357 0.142 -10.648 1.00 0.00 H new ATOM 0 HB2 PRO A 175 3.298 -2.238 -12.082 1.00 0.00 H new ATOM 0 HB3 PRO A 175 4.688 -1.818 -11.101 1.00 0.00 H new ATOM 0 HG2 PRO A 175 2.388 -3.647 -10.439 1.00 0.00 H new ATOM 0 HG3 PRO A 175 4.099 -3.878 -10.137 1.00 0.00 H new ATOM 0 HD2 PRO A 175 2.403 -3.045 -8.176 1.00 0.00 H new ATOM 0 HD3 PRO A 175 4.079 -2.534 -8.215 1.00 0.00 H new ATOM 647 N LEU A 176 0.621 -1.635 -10.968 1.00 0.00 N ATOM 648 CA LEU A 176 -0.708 -1.613 -11.571 1.00 0.00 C ATOM 649 C LEU A 176 -1.351 -0.238 -11.420 1.00 0.00 C ATOM 650 O LEU A 176 -2.086 0.216 -12.297 1.00 0.00 O ATOM 651 CB LEU A 176 -1.598 -2.678 -10.930 1.00 0.00 C ATOM 652 CG LEU A 176 -1.092 -4.119 -11.019 1.00 0.00 C ATOM 653 CD1 LEU A 176 -1.775 -4.990 -9.977 1.00 0.00 C ATOM 654 CD2 LEU A 176 -1.319 -4.677 -12.417 1.00 0.00 C ATOM 0 H LEU A 176 0.802 -2.446 -10.376 1.00 0.00 H new ATOM 0 HA LEU A 176 -0.602 -1.829 -12.634 1.00 0.00 H new ATOM 0 HB2 LEU A 176 -1.732 -2.426 -9.878 1.00 0.00 H new ATOM 0 HB3 LEU A 176 -2.582 -2.630 -11.397 1.00 0.00 H new ATOM 0 HG LEU A 176 -0.021 -4.122 -10.818 1.00 0.00 H new ATOM 0 HD11 LEU A 176 -1.402 -6.011 -10.056 1.00 0.00 H new ATOM 0 HD12 LEU A 176 -1.561 -4.601 -8.981 1.00 0.00 H new ATOM 0 HD13 LEU A 176 -2.852 -4.983 -10.146 1.00 0.00 H new ATOM 0 HD21 LEU A 176 -0.953 -5.703 -12.463 1.00 0.00 H new ATOM 0 HD22 LEU A 176 -2.384 -4.661 -12.647 1.00 0.00 H new ATOM 0 HD23 LEU A 176 -0.782 -4.067 -13.144 1.00 0.00 H new ATOM 666 N LYS A 177 -1.069 0.422 -10.302 1.00 0.00 N ATOM 667 CA LYS A 177 -1.617 1.747 -10.036 1.00 0.00 C ATOM 668 C LYS A 177 -1.128 2.756 -11.071 1.00 0.00 C ATOM 669 O LYS A 177 -1.895 3.591 -11.547 1.00 0.00 O ATOM 670 CB LYS A 177 -1.225 2.211 -8.631 1.00 0.00 C ATOM 671 CG LYS A 177 -2.017 3.412 -8.144 1.00 0.00 C ATOM 672 CD LYS A 177 -1.355 4.066 -6.943 1.00 0.00 C ATOM 673 CE LYS A 177 -1.719 5.540 -6.840 1.00 0.00 C ATOM 674 NZ LYS A 177 -1.131 6.173 -5.627 1.00 0.00 N ATOM 0 H LYS A 177 -0.464 0.061 -9.565 1.00 0.00 H new ATOM 0 HA LYS A 177 -2.703 1.683 -10.101 1.00 0.00 H new ATOM 0 HB2 LYS A 177 -1.366 1.386 -7.933 1.00 0.00 H new ATOM 0 HB3 LYS A 177 -0.164 2.459 -8.622 1.00 0.00 H new ATOM 0 HG2 LYS A 177 -2.110 4.139 -8.951 1.00 0.00 H new ATOM 0 HG3 LYS A 177 -3.027 3.100 -7.879 1.00 0.00 H new ATOM 0 HD2 LYS A 177 -1.660 3.550 -6.032 1.00 0.00 H new ATOM 0 HD3 LYS A 177 -0.273 3.962 -7.021 1.00 0.00 H new ATOM 0 HE2 LYS A 177 -1.368 6.064 -7.729 1.00 0.00 H new ATOM 0 HE3 LYS A 177 -2.804 5.645 -6.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 -1.402 7.177 -5.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 -1.485 5.690 -4.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 -0.095 6.095 -5.663 1.00 0.00 H new ATOM 688 N ALA A 178 0.153 2.670 -11.414 1.00 0.00 N ATOM 689 CA ALA A 178 0.743 3.573 -12.395 1.00 0.00 C ATOM 690 C ALA A 178 0.850 2.905 -13.762 1.00 0.00 C ATOM 691 O ALA A 178 1.906 2.927 -14.392 1.00 0.00 O ATOM 692 CB ALA A 178 2.113 4.041 -11.925 1.00 0.00 C ATOM 0 H ALA A 178 0.802 1.985 -11.027 1.00 0.00 H new ATOM 0 HA ALA A 178 0.089 4.440 -12.494 1.00 0.00 H new ATOM 0 HB1 ALA A 178 2.542 4.714 -12.667 1.00 0.00 H new ATOM 0 HB2 ALA A 178 2.012 4.565 -10.975 1.00 0.00 H new ATOM 0 HB3 ALA A 178 2.768 3.179 -11.796 1.00 0.00 H new