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 166 SER OG : rot -114:sc= 0.82 USER MOD Set 1.2: A 168 SER OG : rot 180:sc= 0.837 USER MOD Set 2.1: A 161 CYS SG : rot 179:sc= -1.87 USER MOD Set 2.2: A 164 CYS SG : rot 150:sc= -1.49 USER MOD Set 2.3: A 169 HIS : no HD1:sc= -0.944 K(o=-3.9,f=-7.4) USER MOD Set 2.4: A 174 CYS SG : rot -146:sc= 0.389 USER MOD Set 3.1: A 160 LYS NZ :NH3+ 180:sc= -0.0508 (180deg=0) USER MOD Set 3.2: A 165 GLN : amide:sc= -2.46 X(o=-2.5,f=-2.3!) USER MOD Set 4.1: A 141 ASN : amide:sc= -2.55! C(o=-5.3!,f=-6.4!) USER MOD Set 4.2: A 157 GLN :FLIP amide:sc= -2.8! C(o=-7.5!,f=-5.3!) USER MOD Set 5.1: A 139 CYS SG : rot 158:sc= -2.14 USER MOD Set 5.2: A 142 CYS SG : rot -51:sc= -0.68 USER MOD Set 5.3: A 147 HIS : no HE2:sc= -0.953 X(o=-3.6,f=-3.1) USER MOD Set 5.4: A 152 CYS SG : rot 81:sc= 0.204 USER MOD Single : A 140 TYR OH : rot 180:sc= 0 USER MOD Single : A 148 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 150 LYS NZ :NH3+ 141:sc= -0.24 (180deg=-1.36) USER MOD Single : A 153 LYS NZ :NH3+ 155:sc= -0.0837 (180deg=-0.479) USER MOD Single : A 159 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 HIS :FLIP no HE2:sc= -9.16! C(o=-12!,f=-9.2!) USER MOD Single : A 170 MET CE :methyl -131:sc= -0.377 (180deg=-2.47!) USER MOD Single : A 173 SER OG : rot 180:sc= 0 USER MOD Single : A 177 LYS NZ :NH3+ 159:sc= -0.0388 (180deg=-0.347) USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 137 -16.441 6.600 -0.328 1.00 0.00 N ATOM 67 CA ASP A 137 -15.752 6.702 -1.609 1.00 0.00 C ATOM 68 C ASP A 137 -14.802 7.896 -1.621 1.00 0.00 C ATOM 69 O ASP A 137 -14.781 8.675 -2.575 1.00 0.00 O ATOM 70 CB ASP A 137 -16.764 6.828 -2.748 1.00 0.00 C ATOM 71 CG ASP A 137 -16.249 6.242 -4.048 1.00 0.00 C ATOM 72 OD1 ASP A 137 -15.793 5.080 -4.035 1.00 0.00 O ATOM 73 OD2 ASP A 137 -16.299 6.947 -5.078 1.00 0.00 O ATOM 0 HA ASP A 137 -15.167 5.794 -1.753 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -17.688 6.323 -2.466 1.00 0.00 H new ATOM 0 HB3 ASP A 137 -17.008 7.880 -2.898 1.00 0.00 H new ATOM 78 N ARG A 138 -14.019 8.034 -0.556 1.00 0.00 N ATOM 79 CA ARG A 138 -13.070 9.135 -0.444 1.00 0.00 C ATOM 80 C ARG A 138 -11.748 8.654 0.147 1.00 0.00 C ATOM 81 O ARG A 138 -11.644 7.523 0.625 1.00 0.00 O ATOM 82 CB ARG A 138 -13.652 10.253 0.422 1.00 0.00 C ATOM 83 CG ARG A 138 -14.041 9.800 1.820 1.00 0.00 C ATOM 84 CD ARG A 138 -12.864 9.877 2.780 1.00 0.00 C ATOM 85 NE ARG A 138 -13.228 9.449 4.128 1.00 0.00 N ATOM 86 CZ ARG A 138 -13.794 10.248 5.025 1.00 0.00 C ATOM 87 NH1 ARG A 138 -14.060 11.510 4.719 1.00 0.00 N ATOM 88 NH2 ARG A 138 -14.095 9.785 6.231 1.00 0.00 N ATOM 0 H ARG A 138 -14.023 7.398 0.241 1.00 0.00 H new ATOM 0 HA ARG A 138 -12.881 9.523 -1.445 1.00 0.00 H new ATOM 0 HB2 ARG A 138 -12.922 11.058 0.500 1.00 0.00 H new ATOM 0 HB3 ARG A 138 -14.530 10.666 -0.074 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -14.856 10.422 2.191 1.00 0.00 H new ATOM 0 HG3 ARG A 138 -14.414 8.776 1.781 1.00 0.00 H new ATOM 0 HD2 ARG A 138 -12.052 9.252 2.408 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -12.490 10.900 2.813 1.00 0.00 H new ATOM 0 HE ARG A 138 -13.037 8.483 4.395 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -13.830 11.870 3.793 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -14.495 12.122 5.410 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -13.892 8.814 6.470 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -14.530 10.400 6.919 1.00 0.00 H new ATOM 102 N CYS A 139 -10.740 9.519 0.112 1.00 0.00 N ATOM 103 CA CYS A 139 -9.424 9.183 0.643 1.00 0.00 C ATOM 104 C CYS A 139 -9.534 8.642 2.065 1.00 0.00 C ATOM 105 O CYS A 139 -9.952 9.352 2.980 1.00 0.00 O ATOM 106 CB CYS A 139 -8.514 10.413 0.622 1.00 0.00 C ATOM 107 SG CYS A 139 -6.952 10.197 1.534 1.00 0.00 S ATOM 0 H CYS A 139 -10.809 10.459 -0.279 1.00 0.00 H new ATOM 0 HA CYS A 139 -8.991 8.408 0.011 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -8.286 10.665 -0.414 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -9.055 11.260 1.045 1.00 0.00 H new ATOM 0 HG CYS A 139 -6.073 11.050 1.098 1.00 0.00 H new ATOM 112 N TYR A 140 -9.155 7.381 2.243 1.00 0.00 N ATOM 113 CA TYR A 140 -9.212 6.744 3.553 1.00 0.00 C ATOM 114 C TYR A 140 -7.941 7.021 4.350 1.00 0.00 C ATOM 115 O TYR A 140 -7.467 6.168 5.099 1.00 0.00 O ATOM 116 CB TYR A 140 -9.413 5.235 3.401 1.00 0.00 C ATOM 117 CG TYR A 140 -8.614 4.629 2.269 1.00 0.00 C ATOM 118 CD1 TYR A 140 -7.226 4.697 2.259 1.00 0.00 C ATOM 119 CD2 TYR A 140 -9.246 3.989 1.211 1.00 0.00 C ATOM 120 CE1 TYR A 140 -6.491 4.146 1.227 1.00 0.00 C ATOM 121 CE2 TYR A 140 -8.519 3.433 0.176 1.00 0.00 C ATOM 122 CZ TYR A 140 -7.142 3.514 0.188 1.00 0.00 C ATOM 123 OH TYR A 140 -6.415 2.963 -0.841 1.00 0.00 O ATOM 0 H TYR A 140 -8.805 6.780 1.497 1.00 0.00 H new ATOM 0 HA TYR A 140 -10.058 7.164 4.096 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -9.136 4.744 4.334 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -10.471 5.033 3.237 1.00 0.00 H new ATOM 0 HD1 TYR A 140 -6.713 5.189 3.072 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -10.324 3.925 1.197 1.00 0.00 H new ATOM 0 HE1 TYR A 140 -5.413 4.210 1.234 1.00 0.00 H new ATOM 0 HE2 TYR A 140 -9.026 2.937 -0.638 1.00 0.00 H new ATOM 0 HH TYR A 140 -7.025 2.555 -1.491 1.00 0.00 H new ATOM 133 N ASN A 141 -7.395 8.221 4.182 1.00 0.00 N ATOM 134 CA ASN A 141 -6.179 8.612 4.885 1.00 0.00 C ATOM 135 C ASN A 141 -6.387 9.919 5.646 1.00 0.00 C ATOM 136 O ASN A 141 -6.271 9.962 6.871 1.00 0.00 O ATOM 137 CB ASN A 141 -5.020 8.763 3.898 1.00 0.00 C ATOM 138 CG ASN A 141 -3.674 8.836 4.593 1.00 0.00 C ATOM 139 OD1 ASN A 141 -3.510 9.556 5.578 1.00 0.00 O ATOM 140 ND2 ASN A 141 -2.703 8.089 4.081 1.00 0.00 N ATOM 0 H ASN A 141 -7.775 8.939 3.565 1.00 0.00 H new ATOM 0 HA ASN A 141 -5.936 7.828 5.603 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -5.023 7.921 3.206 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -5.168 9.664 3.303 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -1.776 8.097 4.506 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -2.885 7.507 3.263 1.00 0.00 H new ATOM 147 N CYS A 142 -6.694 10.982 4.911 1.00 0.00 N ATOM 148 CA CYS A 142 -6.919 12.290 5.514 1.00 0.00 C ATOM 149 C CYS A 142 -8.397 12.665 5.465 1.00 0.00 C ATOM 150 O CYS A 142 -8.963 13.130 6.454 1.00 0.00 O ATOM 151 CB CYS A 142 -6.087 13.355 4.797 1.00 0.00 C ATOM 152 SG CYS A 142 -6.669 13.744 3.115 1.00 0.00 S ATOM 0 H CYS A 142 -6.793 10.963 3.896 1.00 0.00 H new ATOM 0 HA CYS A 142 -6.610 12.239 6.558 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -6.094 14.268 5.393 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -5.052 13.017 4.743 1.00 0.00 H new ATOM 0 HG CYS A 142 -6.816 12.642 2.441 1.00 0.00 H new ATOM 157 N GLY A 143 -9.016 12.460 4.307 1.00 0.00 N ATOM 158 CA GLY A 143 -10.423 12.781 4.150 1.00 0.00 C ATOM 159 C GLY A 143 -10.668 13.787 3.043 1.00 0.00 C ATOM 160 O GLY A 143 -11.517 14.668 3.171 1.00 0.00 O ATOM 0 H GLY A 143 -8.568 12.077 3.474 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -10.979 11.868 3.937 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -10.809 13.177 5.089 1.00 0.00 H new ATOM 164 N GLY A 144 -9.920 13.656 1.951 1.00 0.00 N ATOM 165 CA GLY A 144 -10.074 14.569 0.833 1.00 0.00 C ATOM 166 C GLY A 144 -11.004 14.027 -0.234 1.00 0.00 C ATOM 167 O GLY A 144 -10.783 12.939 -0.767 1.00 0.00 O ATOM 0 H GLY A 144 -9.211 12.935 1.821 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -10.459 15.522 1.196 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -9.097 14.767 0.392 1.00 0.00 H new ATOM 171 N LEU A 145 -12.049 14.786 -0.547 1.00 0.00 N ATOM 172 CA LEU A 145 -13.018 14.375 -1.557 1.00 0.00 C ATOM 173 C LEU A 145 -12.508 14.688 -2.960 1.00 0.00 C ATOM 174 O LEU A 145 -12.741 13.928 -3.900 1.00 0.00 O ATOM 175 CB LEU A 145 -14.358 15.073 -1.321 1.00 0.00 C ATOM 176 CG LEU A 145 -15.041 14.781 0.016 1.00 0.00 C ATOM 177 CD1 LEU A 145 -16.082 15.845 0.328 1.00 0.00 C ATOM 178 CD2 LEU A 145 -15.678 13.399 -0.003 1.00 0.00 C ATOM 0 H LEU A 145 -12.247 15.689 -0.116 1.00 0.00 H new ATOM 0 HA LEU A 145 -13.158 13.297 -1.473 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -14.203 16.149 -1.400 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -15.039 14.789 -2.124 1.00 0.00 H new ATOM 0 HG LEU A 145 -14.285 14.801 0.801 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -16.557 15.620 1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -15.600 16.821 0.384 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -16.836 15.858 -0.459 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -16.160 13.207 0.956 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -16.422 13.352 -0.798 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -14.910 12.647 -0.180 1.00 0.00 H new ATOM 190 N ASP A 146 -11.812 15.811 -3.093 1.00 0.00 N ATOM 191 CA ASP A 146 -11.266 16.224 -4.381 1.00 0.00 C ATOM 192 C ASP A 146 -10.290 15.182 -4.917 1.00 0.00 C ATOM 193 O ASP A 146 -10.449 14.682 -6.031 1.00 0.00 O ATOM 194 CB ASP A 146 -10.566 17.578 -4.252 1.00 0.00 C ATOM 195 CG ASP A 146 -9.408 17.540 -3.273 1.00 0.00 C ATOM 196 OD1 ASP A 146 -9.574 16.956 -2.182 1.00 0.00 O ATOM 197 OD2 ASP A 146 -8.338 18.095 -3.598 1.00 0.00 O ATOM 0 H ASP A 146 -11.612 16.452 -2.325 1.00 0.00 H new ATOM 0 HA ASP A 146 -12.093 16.317 -5.085 1.00 0.00 H new ATOM 0 HB2 ASP A 146 -10.201 17.890 -5.231 1.00 0.00 H new ATOM 0 HB3 ASP A 146 -11.288 18.328 -3.928 1.00 0.00 H new ATOM 202 N HIS A 147 -9.278 14.859 -4.117 1.00 0.00 N ATOM 203 CA HIS A 147 -8.275 13.876 -4.511 1.00 0.00 C ATOM 204 C HIS A 147 -8.618 12.497 -3.956 1.00 0.00 C ATOM 205 O HIS A 147 -9.432 12.370 -3.040 1.00 0.00 O ATOM 206 CB HIS A 147 -6.891 14.305 -4.024 1.00 0.00 C ATOM 207 CG HIS A 147 -6.723 14.210 -2.539 1.00 0.00 C ATOM 208 ND1 HIS A 147 -6.841 15.295 -1.696 1.00 0.00 N ATOM 209 CD2 HIS A 147 -6.446 13.148 -1.745 1.00 0.00 C ATOM 210 CE1 HIS A 147 -6.642 14.906 -0.450 1.00 0.00 C ATOM 211 NE2 HIS A 147 -6.400 13.607 -0.452 1.00 0.00 N ATOM 0 H HIS A 147 -9.131 15.264 -3.192 1.00 0.00 H new ATOM 0 HA HIS A 147 -8.267 13.818 -5.599 1.00 0.00 H new ATOM 0 HB2 HIS A 147 -6.136 13.684 -4.507 1.00 0.00 H new ATOM 0 HB3 HIS A 147 -6.707 15.333 -4.337 1.00 0.00 H new ATOM 0 HD1 HIS A 147 -7.050 16.249 -1.989 1.00 0.00 H new ATOM 0 HD2 HIS A 147 -6.290 12.130 -2.069 1.00 0.00 H new ATOM 0 HE1 HIS A 147 -6.672 15.542 0.423 1.00 0.00 H new ATOM 219 N HIS A 148 -7.994 11.466 -4.517 1.00 0.00 N ATOM 220 CA HIS A 148 -8.233 10.096 -4.078 1.00 0.00 C ATOM 221 C HIS A 148 -7.114 9.617 -3.158 1.00 0.00 C ATOM 222 O HIS A 148 -5.995 10.127 -3.208 1.00 0.00 O ATOM 223 CB HIS A 148 -8.352 9.165 -5.284 1.00 0.00 C ATOM 224 CG HIS A 148 -9.719 9.146 -5.894 1.00 0.00 C ATOM 225 ND1 HIS A 148 -10.323 10.266 -6.425 1.00 0.00 N ATOM 226 CD2 HIS A 148 -10.601 8.132 -6.058 1.00 0.00 C ATOM 227 CE1 HIS A 148 -11.517 9.943 -6.887 1.00 0.00 C ATOM 228 NE2 HIS A 148 -11.711 8.654 -6.677 1.00 0.00 N ATOM 0 H HIS A 148 -7.319 11.554 -5.277 1.00 0.00 H new ATOM 0 HA HIS A 148 -9.170 10.077 -3.521 1.00 0.00 H new ATOM 0 HB2 HIS A 148 -7.630 9.471 -6.041 1.00 0.00 H new ATOM 0 HB3 HIS A 148 -8.085 8.153 -4.979 1.00 0.00 H new ATOM 0 HD2 HIS A 148 -10.459 7.104 -5.758 1.00 0.00 H new ATOM 0 HE1 HIS A 148 -12.216 10.619 -7.357 1.00 0.00 H new ATOM 0 HE2 HIS A 148 -12.549 8.131 -6.933 1.00 0.00 H new ATOM 236 N ALA A 149 -7.425 8.635 -2.318 1.00 0.00 N ATOM 237 CA ALA A 149 -6.446 8.087 -1.388 1.00 0.00 C ATOM 238 C ALA A 149 -5.085 7.925 -2.056 1.00 0.00 C ATOM 239 O ALA A 149 -4.062 8.345 -1.515 1.00 0.00 O ATOM 240 CB ALA A 149 -6.929 6.752 -0.839 1.00 0.00 C ATOM 0 H ALA A 149 -8.347 8.203 -2.263 1.00 0.00 H new ATOM 0 HA ALA A 149 -6.335 8.789 -0.561 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -6.188 6.354 -0.146 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -7.875 6.894 -0.317 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -7.070 6.050 -1.661 1.00 0.00 H new ATOM 246 N LYS A 150 -5.079 7.312 -3.235 1.00 0.00 N ATOM 247 CA LYS A 150 -3.844 7.094 -3.979 1.00 0.00 C ATOM 248 C LYS A 150 -3.175 8.421 -4.322 1.00 0.00 C ATOM 249 O LYS A 150 -1.993 8.621 -4.042 1.00 0.00 O ATOM 250 CB LYS A 150 -4.128 6.307 -5.260 1.00 0.00 C ATOM 251 CG LYS A 150 -5.145 6.973 -6.170 1.00 0.00 C ATOM 252 CD LYS A 150 -5.834 5.962 -7.071 1.00 0.00 C ATOM 253 CE LYS A 150 -4.875 5.393 -8.106 1.00 0.00 C ATOM 254 NZ LYS A 150 -4.088 4.251 -7.563 1.00 0.00 N ATOM 0 H LYS A 150 -5.917 6.957 -3.696 1.00 0.00 H new ATOM 0 HA LYS A 150 -3.166 6.518 -3.349 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -3.195 6.173 -5.808 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -4.487 5.313 -4.994 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -5.890 7.491 -5.566 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -4.649 7.727 -6.781 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -6.241 5.152 -6.466 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -6.676 6.437 -7.575 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -5.437 5.064 -8.980 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -4.195 6.176 -8.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -3.986 3.520 -8.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -3.147 4.585 -7.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -4.581 3.849 -6.740 1.00 0.00 H new ATOM 268 N GLU A 151 -3.938 9.325 -4.929 1.00 0.00 N ATOM 269 CA GLU A 151 -3.418 10.633 -5.309 1.00 0.00 C ATOM 270 C GLU A 151 -2.816 11.350 -4.104 1.00 0.00 C ATOM 271 O GLU A 151 -1.763 11.980 -4.204 1.00 0.00 O ATOM 272 CB GLU A 151 -4.527 11.488 -5.925 1.00 0.00 C ATOM 273 CG GLU A 151 -5.037 10.959 -7.254 1.00 0.00 C ATOM 274 CD GLU A 151 -4.046 11.165 -8.384 1.00 0.00 C ATOM 275 OE1 GLU A 151 -2.951 10.567 -8.329 1.00 0.00 O ATOM 276 OE2 GLU A 151 -4.366 11.924 -9.322 1.00 0.00 O ATOM 0 H GLU A 151 -4.918 9.175 -5.168 1.00 0.00 H new ATOM 0 HA GLU A 151 -2.632 10.483 -6.049 1.00 0.00 H new ATOM 0 HB2 GLU A 151 -5.360 11.548 -5.224 1.00 0.00 H new ATOM 0 HB3 GLU A 151 -4.155 12.503 -6.066 1.00 0.00 H new ATOM 0 HG2 GLU A 151 -5.256 9.896 -7.157 1.00 0.00 H new ATOM 0 HG3 GLU A 151 -5.974 11.456 -7.503 1.00 0.00 H new ATOM 283 N CYS A 152 -3.493 11.251 -2.965 1.00 0.00 N ATOM 284 CA CYS A 152 -3.028 11.890 -1.740 1.00 0.00 C ATOM 285 C CYS A 152 -1.505 11.866 -1.659 1.00 0.00 C ATOM 286 O CYS A 152 -0.855 10.983 -2.220 1.00 0.00 O ATOM 287 CB CYS A 152 -3.627 11.192 -0.517 1.00 0.00 C ATOM 288 SG CYS A 152 -3.629 12.211 0.993 1.00 0.00 S ATOM 0 H CYS A 152 -4.366 10.734 -2.865 1.00 0.00 H new ATOM 0 HA CYS A 152 -3.357 12.929 -1.754 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -4.651 10.898 -0.745 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -3.068 10.277 -0.324 1.00 0.00 H new ATOM 0 HG CYS A 152 -4.640 13.028 0.964 1.00 0.00 H new ATOM 293 N LYS A 153 -0.940 12.841 -0.954 1.00 0.00 N ATOM 294 CA LYS A 153 0.507 12.932 -0.797 1.00 0.00 C ATOM 295 C LYS A 153 0.943 12.376 0.555 1.00 0.00 C ATOM 296 O LYS A 153 1.946 11.668 0.652 1.00 0.00 O ATOM 297 CB LYS A 153 0.964 14.386 -0.933 1.00 0.00 C ATOM 298 CG LYS A 153 0.523 15.044 -2.229 1.00 0.00 C ATOM 299 CD LYS A 153 -0.809 15.757 -2.068 1.00 0.00 C ATOM 300 CE LYS A 153 -0.622 17.177 -1.555 1.00 0.00 C ATOM 301 NZ LYS A 153 0.073 18.039 -2.550 1.00 0.00 N ATOM 0 H LYS A 153 -1.462 13.579 -0.482 1.00 0.00 H new ATOM 0 HA LYS A 153 0.971 12.336 -1.583 1.00 0.00 H new ATOM 0 HB2 LYS A 153 0.574 14.961 -0.093 1.00 0.00 H new ATOM 0 HB3 LYS A 153 2.051 14.424 -0.868 1.00 0.00 H new ATOM 0 HG2 LYS A 153 1.281 15.757 -2.552 1.00 0.00 H new ATOM 0 HG3 LYS A 153 0.440 14.290 -3.011 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -1.329 15.780 -3.026 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -1.440 15.199 -1.376 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -1.594 17.608 -1.317 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -0.048 17.156 -0.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -0.179 19.034 -2.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 1.102 17.922 -2.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -0.217 17.764 -3.510 1.00 0.00 H new ATOM 315 N LEU A 154 0.183 12.699 1.596 1.00 0.00 N ATOM 316 CA LEU A 154 0.490 12.230 2.942 1.00 0.00 C ATOM 317 C LEU A 154 0.911 10.764 2.925 1.00 0.00 C ATOM 318 O LEU A 154 0.553 10.000 2.029 1.00 0.00 O ATOM 319 CB LEU A 154 -0.723 12.414 3.857 1.00 0.00 C ATOM 320 CG LEU A 154 -1.068 13.855 4.231 1.00 0.00 C ATOM 321 CD1 LEU A 154 -2.370 13.905 5.017 1.00 0.00 C ATOM 322 CD2 LEU A 154 0.063 14.485 5.030 1.00 0.00 C ATOM 0 H LEU A 154 -0.650 13.284 1.533 1.00 0.00 H new ATOM 0 HA LEU A 154 1.320 12.823 3.326 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -1.591 11.968 3.371 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -0.549 11.853 4.775 1.00 0.00 H new ATOM 0 HG LEU A 154 -1.199 14.427 3.312 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -2.600 14.939 5.275 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -3.177 13.494 4.411 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -2.267 13.318 5.930 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -0.201 15.511 5.287 1.00 0.00 H new ATOM 0 HD22 LEU A 154 0.226 13.912 5.943 1.00 0.00 H new ATOM 0 HD23 LEU A 154 0.975 14.484 4.433 1.00 0.00 H new ATOM 334 N PRO A 155 1.687 10.359 3.941 1.00 0.00 N ATOM 335 CA PRO A 155 2.171 8.981 4.068 1.00 0.00 C ATOM 336 C PRO A 155 1.052 8.002 4.405 1.00 0.00 C ATOM 337 O PRO A 155 0.390 8.110 5.437 1.00 0.00 O ATOM 338 CB PRO A 155 3.176 9.062 5.220 1.00 0.00 C ATOM 339 CG PRO A 155 2.734 10.234 6.026 1.00 0.00 C ATOM 340 CD PRO A 155 2.152 11.215 5.045 1.00 0.00 C ATOM 0 HA PRO A 155 2.599 8.612 3.136 1.00 0.00 H new ATOM 0 HB2 PRO A 155 3.171 8.148 5.814 1.00 0.00 H new ATOM 0 HB3 PRO A 155 4.192 9.197 4.850 1.00 0.00 H new ATOM 0 HG2 PRO A 155 1.993 9.939 6.769 1.00 0.00 H new ATOM 0 HG3 PRO A 155 3.572 10.674 6.567 1.00 0.00 H new ATOM 0 HD2 PRO A 155 1.333 11.784 5.484 1.00 0.00 H new ATOM 0 HD3 PRO A 155 2.897 11.936 4.708 1.00 0.00 H new ATOM 348 N PRO A 156 0.834 7.022 3.515 1.00 0.00 N ATOM 349 CA PRO A 156 -0.205 6.004 3.697 1.00 0.00 C ATOM 350 C PRO A 156 0.124 5.037 4.829 1.00 0.00 C ATOM 351 O PRO A 156 1.153 5.169 5.491 1.00 0.00 O ATOM 352 CB PRO A 156 -0.222 5.270 2.354 1.00 0.00 C ATOM 353 CG PRO A 156 1.143 5.473 1.794 1.00 0.00 C ATOM 354 CD PRO A 156 1.585 6.832 2.263 1.00 0.00 C ATOM 0 HA PRO A 156 -1.164 6.444 3.969 1.00 0.00 H new ATOM 0 HB2 PRO A 156 -0.443 4.211 2.485 1.00 0.00 H new ATOM 0 HB3 PRO A 156 -0.986 5.675 1.691 1.00 0.00 H new ATOM 0 HG2 PRO A 156 1.827 4.699 2.142 1.00 0.00 H new ATOM 0 HG3 PRO A 156 1.130 5.421 0.705 1.00 0.00 H new ATOM 0 HD2 PRO A 156 2.661 6.869 2.431 1.00 0.00 H new ATOM 0 HD3 PRO A 156 1.350 7.606 1.532 1.00 0.00 H new ATOM 362 N GLN A 157 -0.757 4.065 5.046 1.00 0.00 N ATOM 363 CA GLN A 157 -0.559 3.076 6.099 1.00 0.00 C ATOM 364 C GLN A 157 -0.001 1.777 5.527 1.00 0.00 C ATOM 365 O GLN A 157 -0.275 1.404 4.386 1.00 0.00 O ATOM 366 CB GLN A 157 -1.877 2.803 6.825 1.00 0.00 C ATOM 367 CG GLN A 157 -2.577 4.062 7.310 1.00 0.00 C ATOM 368 CD GLN A 157 -3.069 4.932 6.169 1.00 0.00 C ATOM 369 OE1 GLN A 157 -2.765 6.223 6.235 1.00 0.00 O flip ATOM 370 NE2 GLN A 157 -3.716 4.449 5.239 1.00 0.00 N flip ATOM 0 H GLN A 157 -1.614 3.942 4.507 1.00 0.00 H new ATOM 0 HA GLN A 157 0.163 3.478 6.810 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -2.545 2.261 6.156 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -1.684 2.153 7.678 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -3.422 3.784 7.940 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -1.891 4.638 7.932 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -3.927 3.451 5.229 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -4.041 5.047 4.479 1.00 0.00 H new ATOM 379 N PRO A 158 0.800 1.069 6.337 1.00 0.00 N ATOM 380 CA PRO A 158 1.413 -0.199 5.933 1.00 0.00 C ATOM 381 C PRO A 158 0.390 -1.322 5.803 1.00 0.00 C ATOM 382 O PRO A 158 0.749 -2.486 5.623 1.00 0.00 O ATOM 383 CB PRO A 158 2.394 -0.498 7.069 1.00 0.00 C ATOM 384 CG PRO A 158 1.834 0.217 8.250 1.00 0.00 C ATOM 385 CD PRO A 158 1.170 1.454 7.709 1.00 0.00 C ATOM 0 HA PRO A 158 1.884 -0.129 4.953 1.00 0.00 H new ATOM 0 HB2 PRO A 158 2.471 -1.569 7.254 1.00 0.00 H new ATOM 0 HB3 PRO A 158 3.397 -0.143 6.830 1.00 0.00 H new ATOM 0 HG2 PRO A 158 1.118 -0.409 8.782 1.00 0.00 H new ATOM 0 HG3 PRO A 158 2.621 0.475 8.959 1.00 0.00 H new ATOM 0 HD2 PRO A 158 0.296 1.731 8.298 1.00 0.00 H new ATOM 0 HD3 PRO A 158 1.845 2.310 7.718 1.00 0.00 H new ATOM 393 N LYS A 159 -0.887 -0.967 5.896 1.00 0.00 N ATOM 394 CA LYS A 159 -1.963 -1.944 5.788 1.00 0.00 C ATOM 395 C LYS A 159 -1.759 -2.847 4.576 1.00 0.00 C ATOM 396 O LYS A 159 -1.102 -2.464 3.608 1.00 0.00 O ATOM 397 CB LYS A 159 -3.316 -1.234 5.687 1.00 0.00 C ATOM 398 CG LYS A 159 -3.627 -0.346 6.879 1.00 0.00 C ATOM 399 CD LYS A 159 -4.174 -1.151 8.046 1.00 0.00 C ATOM 400 CE LYS A 159 -5.653 -1.459 7.867 1.00 0.00 C ATOM 401 NZ LYS A 159 -6.301 -1.837 9.153 1.00 0.00 N ATOM 0 H LYS A 159 -1.202 -0.009 6.046 1.00 0.00 H new ATOM 0 HA LYS A 159 -1.950 -2.562 6.686 1.00 0.00 H new ATOM 0 HB2 LYS A 159 -3.333 -0.630 4.780 1.00 0.00 H new ATOM 0 HB3 LYS A 159 -4.103 -1.982 5.586 1.00 0.00 H new ATOM 0 HG2 LYS A 159 -2.723 0.178 7.189 1.00 0.00 H new ATOM 0 HG3 LYS A 159 -4.352 0.414 6.588 1.00 0.00 H new ATOM 0 HD2 LYS A 159 -3.616 -2.083 8.140 1.00 0.00 H new ATOM 0 HD3 LYS A 159 -4.026 -0.596 8.973 1.00 0.00 H new ATOM 0 HE2 LYS A 159 -6.157 -0.588 7.449 1.00 0.00 H new ATOM 0 HE3 LYS A 159 -5.771 -2.271 7.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 -7.308 -2.039 8.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -5.837 -2.683 9.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 -6.212 -1.053 9.830 1.00 0.00 H new ATOM 415 N LYS A 160 -2.328 -4.046 4.635 1.00 0.00 N ATOM 416 CA LYS A 160 -2.211 -5.003 3.541 1.00 0.00 C ATOM 417 C LYS A 160 -2.239 -4.293 2.191 1.00 0.00 C ATOM 418 O LYS A 160 -3.058 -3.402 1.964 1.00 0.00 O ATOM 419 CB LYS A 160 -3.343 -6.031 3.612 1.00 0.00 C ATOM 420 CG LYS A 160 -3.144 -7.219 2.687 1.00 0.00 C ATOM 421 CD LYS A 160 -4.470 -7.851 2.298 1.00 0.00 C ATOM 422 CE LYS A 160 -5.093 -8.603 3.465 1.00 0.00 C ATOM 423 NZ LYS A 160 -6.567 -8.744 3.310 1.00 0.00 N ATOM 0 H LYS A 160 -2.875 -4.378 5.429 1.00 0.00 H new ATOM 0 HA LYS A 160 -1.255 -5.517 3.642 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -3.432 -6.390 4.637 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -4.284 -5.541 3.363 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -2.616 -6.898 1.789 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -2.516 -7.962 3.178 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -5.156 -7.077 1.955 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -4.317 -8.535 1.463 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -4.640 -9.591 3.544 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -4.874 -8.077 4.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -6.954 -9.262 4.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -7.003 -7.801 3.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -6.776 -9.268 2.436 1.00 0.00 H new ATOM 437 N CYS A 161 -1.341 -4.694 1.298 1.00 0.00 N ATOM 438 CA CYS A 161 -1.263 -4.097 -0.030 1.00 0.00 C ATOM 439 C CYS A 161 -2.629 -4.101 -0.709 1.00 0.00 C ATOM 440 O CYS A 161 -3.272 -5.145 -0.829 1.00 0.00 O ATOM 441 CB CYS A 161 -0.250 -4.853 -0.893 1.00 0.00 C ATOM 442 SG CYS A 161 -0.348 -4.461 -2.669 1.00 0.00 S ATOM 0 H CYS A 161 -0.657 -5.430 1.470 1.00 0.00 H new ATOM 0 HA CYS A 161 -0.935 -3.063 0.082 1.00 0.00 H new ATOM 0 HB2 CYS A 161 0.755 -4.627 -0.537 1.00 0.00 H new ATOM 0 HB3 CYS A 161 -0.402 -5.924 -0.759 1.00 0.00 H new ATOM 0 HG CYS A 161 0.557 -5.137 -3.313 1.00 0.00 H new ATOM 447 N HIS A 162 -3.067 -2.927 -1.152 1.00 0.00 N ATOM 448 CA HIS A 162 -4.357 -2.794 -1.820 1.00 0.00 C ATOM 449 C HIS A 162 -4.237 -3.125 -3.304 1.00 0.00 C ATOM 450 O HIS A 162 -4.867 -2.486 -4.146 1.00 0.00 O ATOM 451 CB HIS A 162 -4.903 -1.377 -1.644 1.00 0.00 C ATOM 452 CG HIS A 162 -4.144 -0.342 -2.416 1.00 0.00 C ATOM 453 ND1 HIS A 162 -4.261 0.066 -3.701 1.00 0.00 N flip ATOM 454 CD2 HIS A 162 -3.122 0.405 -1.870 1.00 0.00 C flip ATOM 455 CE1 HIS A 162 -3.319 1.044 -3.905 1.00 0.00 C flip ATOM 456 NE2 HIS A 162 -2.645 1.230 -2.785 1.00 0.00 N flip ATOM 0 H HIS A 162 -2.548 -2.054 -1.061 1.00 0.00 H new ATOM 0 HA HIS A 162 -5.049 -3.501 -1.363 1.00 0.00 H new ATOM 0 HB2 HIS A 162 -5.947 -1.358 -1.956 1.00 0.00 H new ATOM 0 HB3 HIS A 162 -4.882 -1.117 -0.586 1.00 0.00 H new ATOM 0 HD1 HIS A 162 -4.925 -0.287 -4.390 1.00 0.00 H new ATOM 0 HD2 HIS A 162 -2.767 0.328 -0.853 1.00 0.00 H new ATOM 0 HE1 HIS A 162 -3.156 1.575 -4.831 1.00 0.00 H new ATOM 464 N PHE A 163 -3.423 -4.128 -3.618 1.00 0.00 N ATOM 465 CA PHE A 163 -3.218 -4.542 -5.001 1.00 0.00 C ATOM 466 C PHE A 163 -3.301 -6.061 -5.131 1.00 0.00 C ATOM 467 O PHE A 163 -4.164 -6.589 -5.833 1.00 0.00 O ATOM 468 CB PHE A 163 -1.862 -4.049 -5.508 1.00 0.00 C ATOM 469 CG PHE A 163 -1.764 -3.999 -7.006 1.00 0.00 C ATOM 470 CD1 PHE A 163 -1.862 -5.158 -7.759 1.00 0.00 C ATOM 471 CD2 PHE A 163 -1.574 -2.793 -7.662 1.00 0.00 C ATOM 472 CE1 PHE A 163 -1.772 -5.116 -9.137 1.00 0.00 C ATOM 473 CE2 PHE A 163 -1.483 -2.744 -9.040 1.00 0.00 C ATOM 474 CZ PHE A 163 -1.583 -3.907 -9.779 1.00 0.00 C ATOM 0 H PHE A 163 -2.895 -4.669 -2.933 1.00 0.00 H new ATOM 0 HA PHE A 163 -4.007 -4.099 -5.608 1.00 0.00 H new ATOM 0 HB2 PHE A 163 -1.673 -3.054 -5.106 1.00 0.00 H new ATOM 0 HB3 PHE A 163 -1.079 -4.702 -5.122 1.00 0.00 H new ATOM 0 HD1 PHE A 163 -2.011 -6.106 -7.263 1.00 0.00 H new ATOM 0 HD2 PHE A 163 -1.496 -1.881 -7.089 1.00 0.00 H new ATOM 0 HE1 PHE A 163 -1.849 -6.027 -9.712 1.00 0.00 H new ATOM 0 HE2 PHE A 163 -1.334 -1.798 -9.539 1.00 0.00 H new ATOM 0 HZ PHE A 163 -1.514 -3.871 -10.856 1.00 0.00 H new ATOM 484 N CYS A 164 -2.396 -6.757 -4.451 1.00 0.00 N ATOM 485 CA CYS A 164 -2.365 -8.214 -4.490 1.00 0.00 C ATOM 486 C CYS A 164 -2.853 -8.804 -3.170 1.00 0.00 C ATOM 487 O CYS A 164 -2.934 -10.023 -3.017 1.00 0.00 O ATOM 488 CB CYS A 164 -0.947 -8.706 -4.788 1.00 0.00 C ATOM 489 SG CYS A 164 0.260 -8.336 -3.475 1.00 0.00 S ATOM 0 H CYS A 164 -1.674 -6.335 -3.866 1.00 0.00 H new ATOM 0 HA CYS A 164 -3.033 -8.546 -5.285 1.00 0.00 H new ATOM 0 HB2 CYS A 164 -0.974 -9.784 -4.948 1.00 0.00 H new ATOM 0 HB3 CYS A 164 -0.605 -8.254 -5.719 1.00 0.00 H new ATOM 0 HG CYS A 164 1.181 -9.254 -3.461 1.00 0.00 H new ATOM 494 N GLN A 165 -3.176 -7.932 -2.221 1.00 0.00 N ATOM 495 CA GLN A 165 -3.655 -8.367 -0.915 1.00 0.00 C ATOM 496 C GLN A 165 -2.594 -9.189 -0.192 1.00 0.00 C ATOM 497 O GLN A 165 -2.850 -10.316 0.233 1.00 0.00 O ATOM 498 CB GLN A 165 -4.937 -9.187 -1.066 1.00 0.00 C ATOM 499 CG GLN A 165 -6.174 -8.340 -1.319 1.00 0.00 C ATOM 500 CD GLN A 165 -6.360 -7.252 -0.280 1.00 0.00 C ATOM 501 OE1 GLN A 165 -5.683 -6.224 -0.313 1.00 0.00 O ATOM 502 NE2 GLN A 165 -7.281 -7.473 0.651 1.00 0.00 N ATOM 0 H GLN A 165 -3.115 -6.920 -2.332 1.00 0.00 H new ATOM 0 HA GLN A 165 -3.868 -7.479 -0.320 1.00 0.00 H new ATOM 0 HB2 GLN A 165 -4.814 -9.890 -1.889 1.00 0.00 H new ATOM 0 HB3 GLN A 165 -5.089 -9.777 -0.163 1.00 0.00 H new ATOM 0 HG2 GLN A 165 -6.102 -7.885 -2.307 1.00 0.00 H new ATOM 0 HG3 GLN A 165 -7.054 -8.983 -1.328 1.00 0.00 H new ATOM 0 HE21 GLN A 165 -7.819 -8.339 0.640 1.00 0.00 H new ATOM 0 HE22 GLN A 165 -7.450 -6.776 1.377 1.00 0.00 H new ATOM 511 N SER A 166 -1.401 -8.619 -0.056 1.00 0.00 N ATOM 512 CA SER A 166 -0.299 -9.302 0.612 1.00 0.00 C ATOM 513 C SER A 166 0.290 -8.431 1.717 1.00 0.00 C ATOM 514 O SER A 166 0.567 -7.249 1.509 1.00 0.00 O ATOM 515 CB SER A 166 0.790 -9.668 -0.399 1.00 0.00 C ATOM 516 OG SER A 166 1.621 -10.703 0.098 1.00 0.00 O ATOM 0 H SER A 166 -1.173 -7.686 -0.399 1.00 0.00 H new ATOM 0 HA SER A 166 -0.689 -10.215 1.062 1.00 0.00 H new ATOM 0 HB2 SER A 166 0.330 -9.985 -1.335 1.00 0.00 H new ATOM 0 HB3 SER A 166 1.394 -8.788 -0.622 1.00 0.00 H new ATOM 0 HG SER A 166 2.526 -10.356 0.240 1.00 0.00 H new ATOM 522 N ILE A 167 0.477 -9.023 2.892 1.00 0.00 N ATOM 523 CA ILE A 167 1.033 -8.302 4.030 1.00 0.00 C ATOM 524 C ILE A 167 2.557 -8.371 4.034 1.00 0.00 C ATOM 525 O ILE A 167 3.194 -8.196 5.072 1.00 0.00 O ATOM 526 CB ILE A 167 0.502 -8.859 5.364 1.00 0.00 C ATOM 527 CG1 ILE A 167 0.843 -10.345 5.492 1.00 0.00 C ATOM 528 CG2 ILE A 167 -1.001 -8.644 5.466 1.00 0.00 C ATOM 529 CD1 ILE A 167 0.639 -10.893 6.887 1.00 0.00 C ATOM 0 H ILE A 167 0.252 -10.000 3.081 1.00 0.00 H new ATOM 0 HA ILE A 167 0.719 -7.263 3.929 1.00 0.00 H new ATOM 0 HB ILE A 167 0.983 -8.323 6.183 1.00 0.00 H new ATOM 0 HG12 ILE A 167 0.228 -10.912 4.794 1.00 0.00 H new ATOM 0 HG13 ILE A 167 1.882 -10.498 5.198 1.00 0.00 H new ATOM 0 HG21 ILE A 167 -1.362 -9.043 6.414 1.00 0.00 H new ATOM 0 HG22 ILE A 167 -1.220 -7.578 5.414 1.00 0.00 H new ATOM 0 HG23 ILE A 167 -1.499 -9.157 4.643 1.00 0.00 H new ATOM 0 HD11 ILE A 167 0.900 -11.951 6.904 1.00 0.00 H new ATOM 0 HD12 ILE A 167 1.275 -10.351 7.587 1.00 0.00 H new ATOM 0 HD13 ILE A 167 -0.405 -10.772 7.176 1.00 0.00 H new ATOM 541 N SER A 168 3.135 -8.627 2.864 1.00 0.00 N ATOM 542 CA SER A 168 4.584 -8.722 2.733 1.00 0.00 C ATOM 543 C SER A 168 5.172 -7.401 2.245 1.00 0.00 C ATOM 544 O SER A 168 5.875 -6.710 2.984 1.00 0.00 O ATOM 545 CB SER A 168 4.957 -9.847 1.766 1.00 0.00 C ATOM 546 OG SER A 168 4.291 -9.695 0.525 1.00 0.00 O ATOM 0 H SER A 168 2.622 -8.772 1.994 1.00 0.00 H new ATOM 0 HA SER A 168 5.000 -8.945 3.716 1.00 0.00 H new ATOM 0 HB2 SER A 168 6.035 -9.850 1.606 1.00 0.00 H new ATOM 0 HB3 SER A 168 4.697 -10.810 2.206 1.00 0.00 H new ATOM 0 HG SER A 168 4.548 -10.426 -0.076 1.00 0.00 H new ATOM 552 N HIS A 169 4.881 -7.057 0.994 1.00 0.00 N ATOM 553 CA HIS A 169 5.380 -5.819 0.406 1.00 0.00 C ATOM 554 C HIS A 169 4.312 -4.731 0.442 1.00 0.00 C ATOM 555 O HIS A 169 3.235 -4.923 1.007 1.00 0.00 O ATOM 556 CB HIS A 169 5.831 -6.060 -1.035 1.00 0.00 C ATOM 557 CG HIS A 169 4.717 -6.462 -1.952 1.00 0.00 C ATOM 558 ND1 HIS A 169 4.562 -7.746 -2.430 1.00 0.00 N ATOM 559 CD2 HIS A 169 3.699 -5.741 -2.477 1.00 0.00 C ATOM 560 CE1 HIS A 169 3.497 -7.797 -3.210 1.00 0.00 C ATOM 561 NE2 HIS A 169 2.956 -6.593 -3.256 1.00 0.00 N ATOM 0 H HIS A 169 4.303 -7.618 0.369 1.00 0.00 H new ATOM 0 HA HIS A 169 6.234 -5.484 0.995 1.00 0.00 H new ATOM 0 HB2 HIS A 169 6.296 -5.152 -1.418 1.00 0.00 H new ATOM 0 HB3 HIS A 169 6.595 -6.837 -1.043 1.00 0.00 H new ATOM 0 HD2 HIS A 169 3.507 -4.691 -2.314 1.00 0.00 H new ATOM 0 HE1 HIS A 169 3.131 -8.674 -3.723 1.00 0.00 H new ATOM 0 HE2 HIS A 169 2.122 -6.338 -3.784 1.00 0.00 H new ATOM 569 N MET A 170 4.617 -3.588 -0.163 1.00 0.00 N ATOM 570 CA MET A 170 3.682 -2.469 -0.200 1.00 0.00 C ATOM 571 C MET A 170 3.222 -2.192 -1.628 1.00 0.00 C ATOM 572 O MET A 170 3.959 -2.430 -2.585 1.00 0.00 O ATOM 573 CB MET A 170 4.330 -1.216 0.392 1.00 0.00 C ATOM 574 CG MET A 170 4.888 -1.423 1.790 1.00 0.00 C ATOM 575 SD MET A 170 3.675 -2.123 2.925 1.00 0.00 S ATOM 576 CE MET A 170 4.566 -3.553 3.533 1.00 0.00 C ATOM 0 H MET A 170 5.504 -3.412 -0.634 1.00 0.00 H new ATOM 0 HA MET A 170 2.811 -2.736 0.398 1.00 0.00 H new ATOM 0 HB2 MET A 170 5.134 -0.887 -0.266 1.00 0.00 H new ATOM 0 HB3 MET A 170 3.592 -0.414 0.419 1.00 0.00 H new ATOM 0 HG2 MET A 170 5.754 -2.083 1.737 1.00 0.00 H new ATOM 0 HG3 MET A 170 5.238 -0.468 2.182 1.00 0.00 H new ATOM 0 HE1 MET A 170 3.928 -4.434 3.468 1.00 0.00 H new ATOM 0 HE2 MET A 170 5.461 -3.708 2.930 1.00 0.00 H new ATOM 0 HE3 MET A 170 4.853 -3.389 4.572 1.00 0.00 H new ATOM 586 N VAL A 171 2.000 -1.688 -1.764 1.00 0.00 N ATOM 587 CA VAL A 171 1.442 -1.378 -3.075 1.00 0.00 C ATOM 588 C VAL A 171 2.414 -0.544 -3.902 1.00 0.00 C ATOM 589 O VAL A 171 2.450 -0.649 -5.128 1.00 0.00 O ATOM 590 CB VAL A 171 0.108 -0.619 -2.952 1.00 0.00 C ATOM 591 CG1 VAL A 171 0.315 0.715 -2.251 1.00 0.00 C ATOM 592 CG2 VAL A 171 -0.519 -0.419 -4.323 1.00 0.00 C ATOM 0 H VAL A 171 1.377 -1.486 -0.982 1.00 0.00 H new ATOM 0 HA VAL A 171 1.265 -2.329 -3.577 1.00 0.00 H new ATOM 0 HB VAL A 171 -0.576 -1.216 -2.349 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -0.639 1.237 -2.173 1.00 0.00 H new ATOM 0 HG12 VAL A 171 0.717 0.543 -1.253 1.00 0.00 H new ATOM 0 HG13 VAL A 171 1.015 1.322 -2.824 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -1.461 0.119 -4.217 1.00 0.00 H new ATOM 0 HG22 VAL A 171 0.159 0.157 -4.953 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -0.705 -1.389 -4.783 1.00 0.00 H new ATOM 602 N ALA A 172 3.202 0.283 -3.223 1.00 0.00 N ATOM 603 CA ALA A 172 4.177 1.133 -3.895 1.00 0.00 C ATOM 604 C ALA A 172 5.277 0.300 -4.544 1.00 0.00 C ATOM 605 O ALA A 172 5.861 0.702 -5.551 1.00 0.00 O ATOM 606 CB ALA A 172 4.776 2.128 -2.913 1.00 0.00 C ATOM 0 H ALA A 172 3.184 0.382 -2.208 1.00 0.00 H new ATOM 0 HA ALA A 172 3.661 1.682 -4.682 1.00 0.00 H new ATOM 0 HB1 ALA A 172 5.502 2.756 -3.429 1.00 0.00 H new ATOM 0 HB2 ALA A 172 3.984 2.753 -2.500 1.00 0.00 H new ATOM 0 HB3 ALA A 172 5.271 1.589 -2.105 1.00 0.00 H new ATOM 612 N SER A 173 5.556 -0.861 -3.961 1.00 0.00 N ATOM 613 CA SER A 173 6.589 -1.749 -4.480 1.00 0.00 C ATOM 614 C SER A 173 5.975 -2.873 -5.308 1.00 0.00 C ATOM 615 O SER A 173 6.633 -3.458 -6.169 1.00 0.00 O ATOM 616 CB SER A 173 7.410 -2.337 -3.331 1.00 0.00 C ATOM 617 OG SER A 173 8.050 -1.315 -2.586 1.00 0.00 O ATOM 0 H SER A 173 5.081 -1.209 -3.128 1.00 0.00 H new ATOM 0 HA SER A 173 7.245 -1.164 -5.124 1.00 0.00 H new ATOM 0 HB2 SER A 173 6.760 -2.917 -2.675 1.00 0.00 H new ATOM 0 HB3 SER A 173 8.157 -3.024 -3.728 1.00 0.00 H new ATOM 0 HG SER A 173 8.567 -1.717 -1.857 1.00 0.00 H new ATOM 623 N CYS A 174 4.707 -3.170 -5.042 1.00 0.00 N ATOM 624 CA CYS A 174 4.001 -4.224 -5.761 1.00 0.00 C ATOM 625 C CYS A 174 4.436 -4.271 -7.223 1.00 0.00 C ATOM 626 O CYS A 174 4.418 -3.266 -7.934 1.00 0.00 O ATOM 627 CB CYS A 174 2.489 -4.005 -5.673 1.00 0.00 C ATOM 628 SG CYS A 174 1.501 -5.498 -6.010 1.00 0.00 S ATOM 0 H CYS A 174 4.147 -2.695 -4.334 1.00 0.00 H new ATOM 0 HA CYS A 174 4.251 -5.178 -5.296 1.00 0.00 H new ATOM 0 HB2 CYS A 174 2.243 -3.637 -4.677 1.00 0.00 H new ATOM 0 HB3 CYS A 174 2.204 -3.226 -6.380 1.00 0.00 H new ATOM 0 HG CYS A 174 0.396 -5.162 -6.607 1.00 0.00 H new ATOM 633 N PRO A 175 4.835 -5.465 -7.683 1.00 0.00 N ATOM 634 CA PRO A 175 5.281 -5.673 -9.064 1.00 0.00 C ATOM 635 C PRO A 175 4.137 -5.559 -10.066 1.00 0.00 C ATOM 636 O PRO A 175 4.250 -4.866 -11.078 1.00 0.00 O ATOM 637 CB PRO A 175 5.838 -7.098 -9.047 1.00 0.00 C ATOM 638 CG PRO A 175 5.123 -7.771 -7.926 1.00 0.00 C ATOM 639 CD PRO A 175 4.882 -6.706 -6.891 1.00 0.00 C ATOM 0 HA PRO A 175 6.007 -4.922 -9.375 1.00 0.00 H new ATOM 0 HB2 PRO A 175 5.656 -7.606 -9.994 1.00 0.00 H new ATOM 0 HB3 PRO A 175 6.916 -7.100 -8.887 1.00 0.00 H new ATOM 0 HG2 PRO A 175 4.183 -8.204 -8.267 1.00 0.00 H new ATOM 0 HG3 PRO A 175 5.719 -8.586 -7.516 1.00 0.00 H new ATOM 0 HD2 PRO A 175 3.950 -6.874 -6.351 1.00 0.00 H new ATOM 0 HD3 PRO A 175 5.680 -6.679 -6.149 1.00 0.00 H new ATOM 647 N LEU A 176 3.035 -6.244 -9.778 1.00 0.00 N ATOM 648 CA LEU A 176 1.869 -6.219 -10.654 1.00 0.00 C ATOM 649 C LEU A 176 1.500 -4.788 -11.030 1.00 0.00 C ATOM 650 O LEU A 176 1.002 -4.531 -12.127 1.00 0.00 O ATOM 651 CB LEU A 176 0.681 -6.902 -9.974 1.00 0.00 C ATOM 652 CG LEU A 176 0.913 -8.338 -9.502 1.00 0.00 C ATOM 653 CD1 LEU A 176 -0.281 -8.836 -8.702 1.00 0.00 C ATOM 654 CD2 LEU A 176 1.182 -9.253 -10.688 1.00 0.00 C ATOM 0 H LEU A 176 2.925 -6.823 -8.945 1.00 0.00 H new ATOM 0 HA LEU A 176 2.119 -6.761 -11.566 1.00 0.00 H new ATOM 0 HB2 LEU A 176 0.386 -6.301 -9.114 1.00 0.00 H new ATOM 0 HB3 LEU A 176 -0.160 -6.900 -10.668 1.00 0.00 H new ATOM 0 HG LEU A 176 1.789 -8.350 -8.854 1.00 0.00 H new ATOM 0 HD11 LEU A 176 -0.098 -9.859 -8.374 1.00 0.00 H new ATOM 0 HD12 LEU A 176 -0.428 -8.197 -7.831 1.00 0.00 H new ATOM 0 HD13 LEU A 176 -1.174 -8.809 -9.326 1.00 0.00 H new ATOM 0 HD21 LEU A 176 1.345 -10.271 -10.333 1.00 0.00 H new ATOM 0 HD22 LEU A 176 0.325 -9.236 -11.362 1.00 0.00 H new ATOM 0 HD23 LEU A 176 2.069 -8.908 -11.220 1.00 0.00 H new ATOM 666 N LYS A 177 1.749 -3.858 -10.114 1.00 0.00 N ATOM 667 CA LYS A 177 1.447 -2.451 -10.349 1.00 0.00 C ATOM 668 C LYS A 177 2.445 -1.836 -11.325 1.00 0.00 C ATOM 669 O LYS A 177 2.098 -0.951 -12.107 1.00 0.00 O ATOM 670 CB LYS A 177 1.465 -1.677 -9.029 1.00 0.00 C ATOM 671 CG LYS A 177 1.211 -0.189 -9.194 1.00 0.00 C ATOM 672 CD LYS A 177 1.227 0.531 -7.856 1.00 0.00 C ATOM 673 CE LYS A 177 2.648 0.787 -7.378 1.00 0.00 C ATOM 674 NZ LYS A 177 3.353 1.776 -8.239 1.00 0.00 N ATOM 0 H LYS A 177 2.160 -4.054 -9.201 1.00 0.00 H new ATOM 0 HA LYS A 177 0.451 -2.387 -10.787 1.00 0.00 H new ATOM 0 HB2 LYS A 177 0.710 -2.094 -8.362 1.00 0.00 H new ATOM 0 HB3 LYS A 177 2.432 -1.821 -8.546 1.00 0.00 H new ATOM 0 HG2 LYS A 177 1.970 0.240 -9.848 1.00 0.00 H new ATOM 0 HG3 LYS A 177 0.247 -0.035 -9.680 1.00 0.00 H new ATOM 0 HD2 LYS A 177 0.696 1.479 -7.945 1.00 0.00 H new ATOM 0 HD3 LYS A 177 0.694 -0.065 -7.115 1.00 0.00 H new ATOM 0 HE2 LYS A 177 2.626 1.151 -6.351 1.00 0.00 H new ATOM 0 HE3 LYS A 177 3.204 -0.151 -7.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 4.149 2.189 -7.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 3.711 1.301 -9.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 2.692 2.530 -8.515 1.00 0.00 H new ATOM 688 N ALA A 178 3.685 -2.312 -11.275 1.00 0.00 N ATOM 689 CA ALA A 178 4.732 -1.811 -12.156 1.00 0.00 C ATOM 690 C ALA A 178 4.750 -2.574 -13.476 1.00 0.00 C ATOM 691 O ALA A 178 5.790 -3.083 -13.894 1.00 0.00 O ATOM 692 CB ALA A 178 6.088 -1.903 -11.472 1.00 0.00 C ATOM 0 H ALA A 178 3.989 -3.044 -10.633 1.00 0.00 H new ATOM 0 HA ALA A 178 4.519 -0.765 -12.374 1.00 0.00 H new ATOM 0 HB1 ALA A 178 6.860 -1.525 -12.142 1.00 0.00 H new ATOM 0 HB2 ALA A 178 6.076 -1.307 -10.559 1.00 0.00 H new ATOM 0 HB3 ALA A 178 6.300 -2.943 -11.224 1.00 0.00 H new