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 162:sc= -0.658 USER MOD Set 1.2: A 164 CYS SG : rot 180:sc= -3.66! USER MOD Set 1.3: A 166 SER OG : rot -66:sc= 0.49 USER MOD Set 1.4: A 169 HIS : no HE2:sc= -2.65! K(o=-6.2!,f=-7) USER MOD Set 1.5: A 174 CYS SG : rot 69:sc= 0.301 USER MOD Set 2.1: A 139 CYS SG : rot 158:sc= -2.42! USER MOD Set 2.2: A 142 CYS SG : rot -50:sc= -0.641 USER MOD Set 2.3: A 147 HIS : no HE2:sc= -2.03! X(o=-4.8!,f=-4.9) USER MOD Set 2.4: A 152 CYS SG : rot 87:sc= 0.272 USER MOD Single : A 140 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 ASN : amide:sc= -1.3 K(o=-1.3,f=-1.9!) USER MOD Single : A 148 HIS : no HD1:sc= 0 X(o=0,f=-0.0066) USER MOD Single : A 150 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0566) USER MOD Single : A 153 LYS NZ :NH3+ -118:sc= -0.0042 (180deg=-0.132) USER MOD Single : A 157 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.1) USER MOD Single : A 159 LYS NZ :NH3+ 165:sc= -0.0235 (180deg=-0.208) USER MOD Single : A 160 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.619) USER MOD Single : A 162 HIS : no HE2:sc= -2.97! C(o=-3!,f=-3.8!) USER MOD Single : A 165 GLN : amide:sc= -0.0962 K(o=-0.096,f=-2!) 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 137 -16.158 5.813 -3.115 1.00 0.00 N ATOM 67 CA ASP A 137 -14.715 5.915 -3.295 1.00 0.00 C ATOM 68 C ASP A 137 -14.138 7.037 -2.437 1.00 0.00 C ATOM 69 O ASP A 137 -14.235 8.213 -2.788 1.00 0.00 O ATOM 70 CB ASP A 137 -14.379 6.159 -4.768 1.00 0.00 C ATOM 71 CG ASP A 137 -15.137 5.230 -5.696 1.00 0.00 C ATOM 72 OD1 ASP A 137 -15.515 4.125 -5.251 1.00 0.00 O ATOM 73 OD2 ASP A 137 -15.352 5.607 -6.866 1.00 0.00 O ATOM 0 HA ASP A 137 -14.267 4.973 -2.979 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -14.611 7.193 -5.024 1.00 0.00 H new ATOM 0 HB3 ASP A 137 -13.308 6.026 -4.920 1.00 0.00 H new ATOM 78 N ARG A 138 -13.539 6.664 -1.311 1.00 0.00 N ATOM 79 CA ARG A 138 -12.949 7.639 -0.401 1.00 0.00 C ATOM 80 C ARG A 138 -11.529 7.233 -0.016 1.00 0.00 C ATOM 81 O ARG A 138 -11.245 6.054 0.197 1.00 0.00 O ATOM 82 CB ARG A 138 -13.809 7.781 0.856 1.00 0.00 C ATOM 83 CG ARG A 138 -14.947 8.777 0.706 1.00 0.00 C ATOM 84 CD ARG A 138 -16.093 8.460 1.653 1.00 0.00 C ATOM 85 NE ARG A 138 -16.921 9.633 1.923 1.00 0.00 N ATOM 86 CZ ARG A 138 -18.202 9.565 2.268 1.00 0.00 C ATOM 87 NH1 ARG A 138 -18.799 8.387 2.384 1.00 0.00 N ATOM 88 NH2 ARG A 138 -18.888 10.678 2.497 1.00 0.00 N ATOM 0 H ARG A 138 -13.449 5.695 -1.007 1.00 0.00 H new ATOM 0 HA ARG A 138 -12.907 8.600 -0.915 1.00 0.00 H new ATOM 0 HB2 ARG A 138 -14.222 6.806 1.115 1.00 0.00 H new ATOM 0 HB3 ARG A 138 -13.175 8.089 1.687 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -14.579 9.784 0.903 1.00 0.00 H new ATOM 0 HG3 ARG A 138 -15.309 8.765 -0.322 1.00 0.00 H new ATOM 0 HD2 ARG A 138 -16.711 7.671 1.223 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -15.692 8.076 2.591 1.00 0.00 H new ATOM 0 HE ARG A 138 -16.492 10.555 1.842 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -18.275 7.530 2.208 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -19.783 8.338 2.649 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -18.432 11.586 2.408 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -19.872 10.625 2.762 1.00 0.00 H new ATOM 102 N CYS A 139 -10.641 8.218 0.071 1.00 0.00 N ATOM 103 CA CYS A 139 -9.251 7.965 0.430 1.00 0.00 C ATOM 104 C CYS A 139 -9.157 7.251 1.775 1.00 0.00 C ATOM 105 O CYS A 139 -9.560 7.792 2.806 1.00 0.00 O ATOM 106 CB CYS A 139 -8.468 9.278 0.481 1.00 0.00 C ATOM 107 SG CYS A 139 -6.873 9.160 1.353 1.00 0.00 S ATOM 0 H CYS A 139 -10.860 9.199 -0.102 1.00 0.00 H new ATOM 0 HA CYS A 139 -8.817 7.320 -0.334 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -8.288 9.621 -0.538 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -9.081 10.036 0.969 1.00 0.00 H new ATOM 0 HG CYS A 139 -6.096 10.128 0.968 1.00 0.00 H new ATOM 112 N TYR A 140 -8.623 6.035 1.758 1.00 0.00 N ATOM 113 CA TYR A 140 -8.478 5.246 2.975 1.00 0.00 C ATOM 114 C TYR A 140 -7.190 5.607 3.708 1.00 0.00 C ATOM 115 O TYR A 140 -6.468 4.733 4.185 1.00 0.00 O ATOM 116 CB TYR A 140 -8.489 3.753 2.645 1.00 0.00 C ATOM 117 CG TYR A 140 -7.677 3.398 1.420 1.00 0.00 C ATOM 118 CD1 TYR A 140 -8.217 3.516 0.145 1.00 0.00 C ATOM 119 CD2 TYR A 140 -6.368 2.946 1.537 1.00 0.00 C ATOM 120 CE1 TYR A 140 -7.478 3.192 -0.976 1.00 0.00 C ATOM 121 CE2 TYR A 140 -5.621 2.621 0.421 1.00 0.00 C ATOM 122 CZ TYR A 140 -6.181 2.745 -0.833 1.00 0.00 C ATOM 123 OH TYR A 140 -5.442 2.423 -1.948 1.00 0.00 O ATOM 0 H TYR A 140 -8.283 5.574 0.914 1.00 0.00 H new ATOM 0 HA TYR A 140 -9.322 5.473 3.627 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -8.103 3.198 3.500 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -9.519 3.430 2.494 1.00 0.00 H new ATOM 0 HD1 TYR A 140 -9.232 3.867 0.029 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -5.927 2.847 2.518 1.00 0.00 H new ATOM 0 HE1 TYR A 140 -7.914 3.288 -1.960 1.00 0.00 H new ATOM 0 HE2 TYR A 140 -4.605 2.272 0.530 1.00 0.00 H new ATOM 0 HH TYR A 140 -4.549 2.126 -1.674 1.00 0.00 H new ATOM 133 N ASN A 141 -6.909 6.903 3.794 1.00 0.00 N ATOM 134 CA ASN A 141 -5.708 7.382 4.468 1.00 0.00 C ATOM 135 C ASN A 141 -6.030 8.561 5.382 1.00 0.00 C ATOM 136 O ASN A 141 -5.777 8.515 6.586 1.00 0.00 O ATOM 137 CB ASN A 141 -4.650 7.792 3.442 1.00 0.00 C ATOM 138 CG ASN A 141 -3.271 7.934 4.057 1.00 0.00 C ATOM 139 OD1 ASN A 141 -3.127 7.981 5.279 1.00 0.00 O ATOM 140 ND2 ASN A 141 -2.250 8.001 3.211 1.00 0.00 N ATOM 0 H ASN A 141 -7.497 7.640 3.405 1.00 0.00 H new ATOM 0 HA ASN A 141 -5.316 6.568 5.078 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -4.614 7.050 2.645 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -4.940 8.738 2.984 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -1.299 8.095 3.566 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -2.417 7.958 2.206 1.00 0.00 H new ATOM 147 N CYS A 142 -6.591 9.616 4.801 1.00 0.00 N ATOM 148 CA CYS A 142 -6.949 10.808 5.561 1.00 0.00 C ATOM 149 C CYS A 142 -8.461 11.011 5.573 1.00 0.00 C ATOM 150 O CYS A 142 -9.055 11.270 6.619 1.00 0.00 O ATOM 151 CB CYS A 142 -6.262 12.041 4.969 1.00 0.00 C ATOM 152 SG CYS A 142 -6.902 12.537 3.337 1.00 0.00 S ATOM 0 H CYS A 142 -6.808 9.670 3.806 1.00 0.00 H new ATOM 0 HA CYS A 142 -6.610 10.670 6.588 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -6.377 12.875 5.661 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -5.194 11.842 4.883 1.00 0.00 H new ATOM 0 HG CYS A 142 -6.928 11.504 2.549 1.00 0.00 H new ATOM 157 N GLY A 143 -9.079 10.892 4.401 1.00 0.00 N ATOM 158 CA GLY A 143 -10.516 11.066 4.299 1.00 0.00 C ATOM 159 C GLY A 143 -10.900 12.150 3.312 1.00 0.00 C ATOM 160 O GLY A 143 -11.809 12.939 3.568 1.00 0.00 O ATOM 0 H GLY A 143 -8.610 10.678 3.521 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -10.972 10.124 3.995 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -10.920 11.313 5.281 1.00 0.00 H new ATOM 164 N GLY A 144 -10.205 12.191 2.179 1.00 0.00 N ATOM 165 CA GLY A 144 -10.492 13.192 1.168 1.00 0.00 C ATOM 166 C GLY A 144 -11.566 12.744 0.198 1.00 0.00 C ATOM 167 O GLY A 144 -11.626 11.572 -0.177 1.00 0.00 O ATOM 0 H GLY A 144 -9.448 11.549 1.943 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -10.808 14.115 1.654 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -9.580 13.419 0.616 1.00 0.00 H new ATOM 171 N LEU A 145 -12.419 13.677 -0.210 1.00 0.00 N ATOM 172 CA LEU A 145 -13.499 13.372 -1.143 1.00 0.00 C ATOM 173 C LEU A 145 -13.128 13.793 -2.561 1.00 0.00 C ATOM 174 O LEU A 145 -13.475 13.117 -3.530 1.00 0.00 O ATOM 175 CB LEU A 145 -14.787 14.075 -0.710 1.00 0.00 C ATOM 176 CG LEU A 145 -15.182 13.908 0.758 1.00 0.00 C ATOM 177 CD1 LEU A 145 -16.193 14.970 1.162 1.00 0.00 C ATOM 178 CD2 LEU A 145 -15.741 12.515 1.005 1.00 0.00 C ATOM 0 H LEU A 145 -12.384 14.651 0.090 1.00 0.00 H new ATOM 0 HA LEU A 145 -13.660 12.294 -1.134 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -14.684 15.140 -0.919 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -15.604 13.706 -1.330 1.00 0.00 H new ATOM 0 HG LEU A 145 -14.290 14.033 1.371 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -16.463 14.836 2.210 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -15.757 15.959 1.023 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -17.085 14.877 0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -16.017 12.414 2.055 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -16.622 12.361 0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -14.985 11.770 0.755 1.00 0.00 H new ATOM 190 N ASP A 146 -12.420 14.911 -2.675 1.00 0.00 N ATOM 191 CA ASP A 146 -11.999 15.420 -3.975 1.00 0.00 C ATOM 192 C ASP A 146 -10.864 14.577 -4.547 1.00 0.00 C ATOM 193 O ASP A 146 -10.928 14.124 -5.690 1.00 0.00 O ATOM 194 CB ASP A 146 -11.558 16.880 -3.856 1.00 0.00 C ATOM 195 CG ASP A 146 -10.496 17.079 -2.793 1.00 0.00 C ATOM 196 OD1 ASP A 146 -10.860 17.184 -1.603 1.00 0.00 O ATOM 197 OD2 ASP A 146 -9.300 17.131 -3.151 1.00 0.00 O ATOM 0 H ASP A 146 -12.125 15.482 -1.883 1.00 0.00 H new ATOM 0 HA ASP A 146 -12.849 15.360 -4.654 1.00 0.00 H new ATOM 0 HB2 ASP A 146 -11.174 17.220 -4.818 1.00 0.00 H new ATOM 0 HB3 ASP A 146 -12.423 17.500 -3.622 1.00 0.00 H new ATOM 202 N HIS A 147 -9.824 14.373 -3.745 1.00 0.00 N ATOM 203 CA HIS A 147 -8.673 13.585 -4.172 1.00 0.00 C ATOM 204 C HIS A 147 -8.846 12.118 -3.788 1.00 0.00 C ATOM 205 O HIS A 147 -9.589 11.792 -2.862 1.00 0.00 O ATOM 206 CB HIS A 147 -7.390 14.138 -3.551 1.00 0.00 C ATOM 207 CG HIS A 147 -7.187 13.725 -2.125 1.00 0.00 C ATOM 208 ND1 HIS A 147 -7.562 14.507 -1.054 1.00 0.00 N ATOM 209 CD2 HIS A 147 -6.647 12.601 -1.598 1.00 0.00 C ATOM 210 CE1 HIS A 147 -7.259 13.884 0.071 1.00 0.00 C ATOM 211 NE2 HIS A 147 -6.703 12.725 -0.232 1.00 0.00 N ATOM 0 H HIS A 147 -9.754 14.742 -2.797 1.00 0.00 H new ATOM 0 HA HIS A 147 -8.601 13.653 -5.257 1.00 0.00 H new ATOM 0 HB2 HIS A 147 -6.537 13.804 -4.142 1.00 0.00 H new ATOM 0 HB3 HIS A 147 -7.410 15.226 -3.606 1.00 0.00 H new ATOM 0 HD1 HIS A 147 -8.004 15.424 -1.120 1.00 0.00 H new ATOM 0 HD2 HIS A 147 -6.247 11.763 -2.149 1.00 0.00 H new ATOM 0 HE1 HIS A 147 -7.436 14.259 1.068 1.00 0.00 H new ATOM 219 N HIS A 148 -8.155 11.238 -4.506 1.00 0.00 N ATOM 220 CA HIS A 148 -8.233 9.806 -4.240 1.00 0.00 C ATOM 221 C HIS A 148 -7.034 9.339 -3.420 1.00 0.00 C ATOM 222 O HIS A 148 -5.962 9.942 -3.472 1.00 0.00 O ATOM 223 CB HIS A 148 -8.303 9.025 -5.553 1.00 0.00 C ATOM 224 CG HIS A 148 -9.691 8.894 -6.099 1.00 0.00 C ATOM 225 ND1 HIS A 148 -10.134 9.589 -7.204 1.00 0.00 N ATOM 226 CD2 HIS A 148 -10.737 8.140 -5.686 1.00 0.00 C ATOM 227 CE1 HIS A 148 -11.393 9.271 -7.447 1.00 0.00 C ATOM 228 NE2 HIS A 148 -11.782 8.393 -6.540 1.00 0.00 N ATOM 0 H HIS A 148 -7.535 11.491 -5.276 1.00 0.00 H new ATOM 0 HA HIS A 148 -9.139 9.617 -3.665 1.00 0.00 H new ATOM 0 HB2 HIS A 148 -7.675 9.520 -6.294 1.00 0.00 H new ATOM 0 HB3 HIS A 148 -7.888 8.029 -5.397 1.00 0.00 H new ATOM 0 HD2 HIS A 148 -10.747 7.466 -4.843 1.00 0.00 H new ATOM 0 HE1 HIS A 148 -12.000 9.662 -8.250 1.00 0.00 H new ATOM 0 HE2 HIS A 148 -12.709 7.971 -6.483 1.00 0.00 H new ATOM 236 N ALA A 149 -7.223 8.263 -2.663 1.00 0.00 N ATOM 237 CA ALA A 149 -6.157 7.716 -1.834 1.00 0.00 C ATOM 238 C ALA A 149 -4.835 7.675 -2.594 1.00 0.00 C ATOM 239 O ALA A 149 -3.792 8.060 -2.067 1.00 0.00 O ATOM 240 CB ALA A 149 -6.530 6.324 -1.345 1.00 0.00 C ATOM 0 H ALA A 149 -8.105 7.753 -2.607 1.00 0.00 H new ATOM 0 HA ALA A 149 -6.030 8.370 -0.972 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -5.724 5.928 -0.727 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -7.446 6.378 -0.756 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -6.687 5.668 -2.201 1.00 0.00 H new ATOM 246 N LYS A 150 -4.887 7.206 -3.836 1.00 0.00 N ATOM 247 CA LYS A 150 -3.695 7.115 -4.670 1.00 0.00 C ATOM 248 C LYS A 150 -3.057 8.488 -4.860 1.00 0.00 C ATOM 249 O LYS A 150 -1.854 8.655 -4.664 1.00 0.00 O ATOM 250 CB LYS A 150 -4.045 6.511 -6.032 1.00 0.00 C ATOM 251 CG LYS A 150 -5.107 7.291 -6.788 1.00 0.00 C ATOM 252 CD LYS A 150 -5.867 6.401 -7.757 1.00 0.00 C ATOM 253 CE LYS A 150 -5.084 6.180 -9.042 1.00 0.00 C ATOM 254 NZ LYS A 150 -5.113 7.380 -9.923 1.00 0.00 N ATOM 0 H LYS A 150 -5.743 6.883 -4.287 1.00 0.00 H new ATOM 0 HA LYS A 150 -2.978 6.467 -4.165 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -3.142 6.460 -6.640 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -4.391 5.487 -5.888 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -5.804 7.739 -6.080 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -4.639 8.109 -7.335 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -6.073 5.440 -7.285 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -6.830 6.854 -7.990 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -4.051 5.933 -8.799 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -5.499 5.326 -9.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -4.733 7.133 -10.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -6.093 7.713 -10.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -4.533 8.134 -9.502 1.00 0.00 H new ATOM 268 N GLU A 151 -3.872 9.466 -5.240 1.00 0.00 N ATOM 269 CA GLU A 151 -3.386 10.824 -5.455 1.00 0.00 C ATOM 270 C GLU A 151 -2.838 11.417 -4.161 1.00 0.00 C ATOM 271 O GLU A 151 -1.800 12.079 -4.158 1.00 0.00 O ATOM 272 CB GLU A 151 -4.508 11.711 -6.000 1.00 0.00 C ATOM 273 CG GLU A 151 -4.890 11.396 -7.436 1.00 0.00 C ATOM 274 CD GLU A 151 -3.935 12.009 -8.442 1.00 0.00 C ATOM 275 OE1 GLU A 151 -4.058 13.221 -8.714 1.00 0.00 O ATOM 276 OE2 GLU A 151 -3.064 11.276 -8.957 1.00 0.00 O ATOM 0 H GLU A 151 -4.871 9.344 -5.405 1.00 0.00 H new ATOM 0 HA GLU A 151 -2.578 10.782 -6.186 1.00 0.00 H new ATOM 0 HB2 GLU A 151 -5.388 11.600 -5.366 1.00 0.00 H new ATOM 0 HB3 GLU A 151 -4.199 12.754 -5.936 1.00 0.00 H new ATOM 0 HG2 GLU A 151 -4.912 10.315 -7.573 1.00 0.00 H new ATOM 0 HG3 GLU A 151 -5.899 11.762 -7.628 1.00 0.00 H new ATOM 283 N CYS A 152 -3.542 11.174 -3.060 1.00 0.00 N ATOM 284 CA CYS A 152 -3.129 11.683 -1.759 1.00 0.00 C ATOM 285 C CYS A 152 -1.607 11.716 -1.646 1.00 0.00 C ATOM 286 O CYS A 152 -0.912 10.883 -2.228 1.00 0.00 O ATOM 287 CB CYS A 152 -3.716 10.821 -0.640 1.00 0.00 C ATOM 288 SG CYS A 152 -3.783 11.649 0.981 1.00 0.00 S ATOM 0 H CYS A 152 -4.403 10.627 -3.044 1.00 0.00 H new ATOM 0 HA CYS A 152 -3.506 12.701 -1.659 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -4.724 10.516 -0.922 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -3.122 9.912 -0.547 1.00 0.00 H new ATOM 0 HG CYS A 152 -4.887 12.328 1.076 1.00 0.00 H new ATOM 293 N LYS A 153 -1.096 12.684 -0.893 1.00 0.00 N ATOM 294 CA LYS A 153 0.343 12.825 -0.701 1.00 0.00 C ATOM 295 C LYS A 153 0.775 12.228 0.634 1.00 0.00 C ATOM 296 O LYS A 153 1.790 11.534 0.716 1.00 0.00 O ATOM 297 CB LYS A 153 0.743 14.301 -0.765 1.00 0.00 C ATOM 298 CG LYS A 153 0.498 14.939 -2.121 1.00 0.00 C ATOM 299 CD LYS A 153 0.663 16.449 -2.064 1.00 0.00 C ATOM 300 CE LYS A 153 -0.679 17.151 -1.929 1.00 0.00 C ATOM 301 NZ LYS A 153 -1.072 17.327 -0.504 1.00 0.00 N ATOM 0 H LYS A 153 -1.657 13.383 -0.406 1.00 0.00 H new ATOM 0 HA LYS A 153 0.847 12.282 -1.501 1.00 0.00 H new ATOM 0 HB2 LYS A 153 0.187 14.853 -0.007 1.00 0.00 H new ATOM 0 HB3 LYS A 153 1.800 14.394 -0.515 1.00 0.00 H new ATOM 0 HG2 LYS A 153 1.193 14.523 -2.851 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -0.508 14.694 -2.463 1.00 0.00 H new ATOM 0 HD2 LYS A 153 1.300 16.715 -1.221 1.00 0.00 H new ATOM 0 HD3 LYS A 153 1.167 16.795 -2.966 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -0.630 18.125 -2.415 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -1.444 16.574 -2.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -1.955 16.809 -0.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -0.320 16.958 0.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -1.216 18.338 -0.306 1.00 0.00 H new ATOM 315 N LEU A 154 -0.001 12.500 1.678 1.00 0.00 N ATOM 316 CA LEU A 154 0.302 11.987 3.010 1.00 0.00 C ATOM 317 C LEU A 154 0.838 10.561 2.936 1.00 0.00 C ATOM 318 O LEU A 154 0.569 9.819 1.991 1.00 0.00 O ATOM 319 CB LEU A 154 -0.949 12.029 3.890 1.00 0.00 C ATOM 320 CG LEU A 154 -1.430 13.419 4.308 1.00 0.00 C ATOM 321 CD1 LEU A 154 -2.761 13.327 5.036 1.00 0.00 C ATOM 322 CD2 LEU A 154 -0.388 14.104 5.181 1.00 0.00 C ATOM 0 H LEU A 154 -0.844 13.072 1.628 1.00 0.00 H new ATOM 0 HA LEU A 154 1.071 12.621 3.451 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -1.760 11.531 3.358 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -0.754 11.448 4.791 1.00 0.00 H new ATOM 0 HG LEU A 154 -1.572 14.019 3.409 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -3.087 14.326 5.326 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -3.505 12.879 4.378 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -2.646 12.710 5.927 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -0.747 15.092 5.469 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -0.213 13.506 6.076 1.00 0.00 H new ATOM 0 HD23 LEU A 154 0.544 14.205 4.624 1.00 0.00 H new ATOM 334 N PRO A 155 1.612 10.166 3.957 1.00 0.00 N ATOM 335 CA PRO A 155 2.200 8.826 4.033 1.00 0.00 C ATOM 336 C PRO A 155 1.152 7.746 4.282 1.00 0.00 C ATOM 337 O PRO A 155 0.474 7.731 5.310 1.00 0.00 O ATOM 338 CB PRO A 155 3.159 8.925 5.222 1.00 0.00 C ATOM 339 CG PRO A 155 2.601 10.017 6.068 1.00 0.00 C ATOM 340 CD PRO A 155 1.974 10.998 5.118 1.00 0.00 C ATOM 0 HA PRO A 155 2.685 8.541 3.100 1.00 0.00 H new ATOM 0 HB2 PRO A 155 3.208 7.984 5.771 1.00 0.00 H new ATOM 0 HB3 PRO A 155 4.173 9.156 4.895 1.00 0.00 H new ATOM 0 HG2 PRO A 155 1.864 9.628 6.770 1.00 0.00 H new ATOM 0 HG3 PRO A 155 3.384 10.492 6.659 1.00 0.00 H new ATOM 0 HD2 PRO A 155 1.099 11.479 5.556 1.00 0.00 H new ATOM 0 HD3 PRO A 155 2.669 11.791 4.843 1.00 0.00 H new ATOM 348 N PRO A 156 1.014 6.821 3.322 1.00 0.00 N ATOM 349 CA PRO A 156 0.051 5.720 3.415 1.00 0.00 C ATOM 350 C PRO A 156 0.439 4.699 4.479 1.00 0.00 C ATOM 351 O PRO A 156 1.499 4.080 4.400 1.00 0.00 O ATOM 352 CB PRO A 156 0.100 5.086 2.023 1.00 0.00 C ATOM 353 CG PRO A 156 1.452 5.427 1.499 1.00 0.00 C ATOM 354 CD PRO A 156 1.789 6.777 2.070 1.00 0.00 C ATOM 0 HA PRO A 156 -0.940 6.069 3.704 1.00 0.00 H new ATOM 0 HB2 PRO A 156 -0.044 4.007 2.074 1.00 0.00 H new ATOM 0 HB3 PRO A 156 -0.686 5.482 1.380 1.00 0.00 H new ATOM 0 HG2 PRO A 156 2.187 4.681 1.801 1.00 0.00 H new ATOM 0 HG3 PRO A 156 1.453 5.453 0.409 1.00 0.00 H new ATOM 0 HD2 PRO A 156 2.858 6.879 2.255 1.00 0.00 H new ATOM 0 HD3 PRO A 156 1.504 7.582 1.393 1.00 0.00 H new ATOM 362 N GLN A 157 -0.427 4.529 5.473 1.00 0.00 N ATOM 363 CA GLN A 157 -0.173 3.583 6.553 1.00 0.00 C ATOM 364 C GLN A 157 0.128 2.194 6.000 1.00 0.00 C ATOM 365 O GLN A 157 -0.308 1.825 4.909 1.00 0.00 O ATOM 366 CB GLN A 157 -1.376 3.519 7.497 1.00 0.00 C ATOM 367 CG GLN A 157 -1.713 4.853 8.143 1.00 0.00 C ATOM 368 CD GLN A 157 -0.561 5.420 8.948 1.00 0.00 C ATOM 369 OE1 GLN A 157 -0.069 4.786 9.882 1.00 0.00 O ATOM 370 NE2 GLN A 157 -0.122 6.621 8.589 1.00 0.00 N ATOM 0 H GLN A 157 -1.310 5.034 5.553 1.00 0.00 H new ATOM 0 HA GLN A 157 0.698 3.930 7.109 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -2.244 3.164 6.942 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -1.175 2.786 8.279 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -1.996 5.566 7.369 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -2.579 4.729 8.793 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -0.559 7.111 7.809 1.00 0.00 H new ATOM 0 HE22 GLN A 157 0.652 7.053 9.094 1.00 0.00 H new ATOM 379 N PRO A 158 0.891 1.403 6.769 1.00 0.00 N ATOM 380 CA PRO A 158 1.268 0.042 6.376 1.00 0.00 C ATOM 381 C PRO A 158 0.082 -0.917 6.398 1.00 0.00 C ATOM 382 O PRO A 158 -0.092 -1.684 7.345 1.00 0.00 O ATOM 383 CB PRO A 158 2.300 -0.360 7.433 1.00 0.00 C ATOM 384 CG PRO A 158 1.969 0.475 8.622 1.00 0.00 C ATOM 385 CD PRO A 158 1.446 1.777 8.081 1.00 0.00 C ATOM 0 HA PRO A 158 1.647 0.003 5.355 1.00 0.00 H new ATOM 0 HB2 PRO A 158 2.235 -1.423 7.665 1.00 0.00 H new ATOM 0 HB3 PRO A 158 3.316 -0.171 7.087 1.00 0.00 H new ATOM 0 HG2 PRO A 158 1.223 -0.015 9.248 1.00 0.00 H new ATOM 0 HG3 PRO A 158 2.850 0.636 9.243 1.00 0.00 H new ATOM 0 HD2 PRO A 158 0.684 2.206 8.732 1.00 0.00 H new ATOM 0 HD3 PRO A 158 2.238 2.520 7.985 1.00 0.00 H new ATOM 393 N LYS A 159 -0.731 -0.868 5.348 1.00 0.00 N ATOM 394 CA LYS A 159 -1.900 -1.734 5.245 1.00 0.00 C ATOM 395 C LYS A 159 -1.597 -2.958 4.388 1.00 0.00 C ATOM 396 O LYS A 159 -0.466 -3.150 3.939 1.00 0.00 O ATOM 397 CB LYS A 159 -3.080 -0.962 4.651 1.00 0.00 C ATOM 398 CG LYS A 159 -3.797 -0.078 5.657 1.00 0.00 C ATOM 399 CD LYS A 159 -5.013 0.594 5.041 1.00 0.00 C ATOM 400 CE LYS A 159 -6.141 -0.399 4.807 1.00 0.00 C ATOM 401 NZ LYS A 159 -6.732 -0.880 6.087 1.00 0.00 N ATOM 0 H LYS A 159 -0.602 -0.238 4.556 1.00 0.00 H new ATOM 0 HA LYS A 159 -2.161 -2.071 6.248 1.00 0.00 H new ATOM 0 HB2 LYS A 159 -2.722 -0.344 3.828 1.00 0.00 H new ATOM 0 HB3 LYS A 159 -3.793 -1.671 4.230 1.00 0.00 H new ATOM 0 HG2 LYS A 159 -4.106 -0.677 6.514 1.00 0.00 H new ATOM 0 HG3 LYS A 159 -3.110 0.682 6.030 1.00 0.00 H new ATOM 0 HD2 LYS A 159 -5.360 1.392 5.697 1.00 0.00 H new ATOM 0 HD3 LYS A 159 -4.733 1.058 4.095 1.00 0.00 H new ATOM 0 HE2 LYS A 159 -6.917 0.069 4.202 1.00 0.00 H new ATOM 0 HE3 LYS A 159 -5.764 -1.249 4.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 -7.643 -1.345 5.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -6.084 -1.559 6.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 -6.882 -0.073 6.725 1.00 0.00 H new ATOM 415 N LYS A 160 -2.613 -3.784 4.163 1.00 0.00 N ATOM 416 CA LYS A 160 -2.457 -4.989 3.357 1.00 0.00 C ATOM 417 C LYS A 160 -2.448 -4.651 1.869 1.00 0.00 C ATOM 418 O LYS A 160 -2.985 -3.625 1.452 1.00 0.00 O ATOM 419 CB LYS A 160 -3.584 -5.979 3.659 1.00 0.00 C ATOM 420 CG LYS A 160 -4.973 -5.383 3.510 1.00 0.00 C ATOM 421 CD LYS A 160 -6.054 -6.434 3.699 1.00 0.00 C ATOM 422 CE LYS A 160 -6.385 -7.136 2.391 1.00 0.00 C ATOM 423 NZ LYS A 160 -7.417 -6.398 1.612 1.00 0.00 N ATOM 0 H LYS A 160 -3.555 -3.641 4.528 1.00 0.00 H new ATOM 0 HA LYS A 160 -1.501 -5.446 3.614 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -3.492 -6.836 2.992 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -3.465 -6.353 4.676 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -5.108 -4.585 4.241 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -5.072 -4.931 2.523 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -5.724 -7.168 4.434 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -6.953 -5.965 4.099 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -5.479 -7.235 1.792 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -6.740 -8.145 2.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -8.240 -7.014 1.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -7.712 -5.553 2.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -7.020 -6.111 0.694 1.00 0.00 H new ATOM 437 N CYS A 161 -1.835 -5.521 1.074 1.00 0.00 N ATOM 438 CA CYS A 161 -1.757 -5.317 -0.368 1.00 0.00 C ATOM 439 C CYS A 161 -3.144 -5.085 -0.960 1.00 0.00 C ATOM 440 O CYS A 161 -4.001 -5.969 -0.927 1.00 0.00 O ATOM 441 CB CYS A 161 -1.097 -6.522 -1.040 1.00 0.00 C ATOM 442 SG CYS A 161 -0.983 -6.392 -2.853 1.00 0.00 S ATOM 0 H CYS A 161 -1.385 -6.375 1.404 1.00 0.00 H new ATOM 0 HA CYS A 161 -1.150 -4.431 -0.552 1.00 0.00 H new ATOM 0 HB2 CYS A 161 -0.094 -6.648 -0.632 1.00 0.00 H new ATOM 0 HB3 CYS A 161 -1.660 -7.420 -0.785 1.00 0.00 H new ATOM 0 HG CYS A 161 -0.100 -7.238 -3.294 1.00 0.00 H new ATOM 447 N HIS A 162 -3.357 -3.891 -1.503 1.00 0.00 N ATOM 448 CA HIS A 162 -4.640 -3.543 -2.105 1.00 0.00 C ATOM 449 C HIS A 162 -4.712 -4.028 -3.550 1.00 0.00 C ATOM 450 O HIS A 162 -5.339 -3.393 -4.398 1.00 0.00 O ATOM 451 CB HIS A 162 -4.859 -2.031 -2.051 1.00 0.00 C ATOM 452 CG HIS A 162 -4.133 -1.282 -3.126 1.00 0.00 C ATOM 453 ND1 HIS A 162 -4.779 -0.579 -4.121 1.00 0.00 N ATOM 454 CD2 HIS A 162 -2.808 -1.127 -3.357 1.00 0.00 C ATOM 455 CE1 HIS A 162 -3.883 -0.026 -4.919 1.00 0.00 C ATOM 456 NE2 HIS A 162 -2.679 -0.343 -4.477 1.00 0.00 N ATOM 0 H HIS A 162 -2.659 -3.148 -1.539 1.00 0.00 H new ATOM 0 HA HIS A 162 -5.427 -4.037 -1.535 1.00 0.00 H new ATOM 0 HB2 HIS A 162 -5.926 -1.824 -2.132 1.00 0.00 H new ATOM 0 HB3 HIS A 162 -4.535 -1.660 -1.079 1.00 0.00 H new ATOM 0 HD1 HIS A 162 -5.791 -0.499 -4.225 1.00 0.00 H new ATOM 0 HD2 HIS A 162 -2.002 -1.543 -2.770 1.00 0.00 H new ATOM 0 HE1 HIS A 162 -4.098 0.582 -5.785 1.00 0.00 H new ATOM 464 N PHE A 163 -4.066 -5.157 -3.822 1.00 0.00 N ATOM 465 CA PHE A 163 -4.055 -5.726 -5.165 1.00 0.00 C ATOM 466 C PHE A 163 -4.514 -7.181 -5.142 1.00 0.00 C ATOM 467 O PHE A 163 -5.441 -7.563 -5.856 1.00 0.00 O ATOM 468 CB PHE A 163 -2.653 -5.631 -5.771 1.00 0.00 C ATOM 469 CG PHE A 163 -2.633 -5.803 -7.263 1.00 0.00 C ATOM 470 CD1 PHE A 163 -3.050 -4.779 -8.098 1.00 0.00 C ATOM 471 CD2 PHE A 163 -2.196 -6.989 -7.831 1.00 0.00 C ATOM 472 CE1 PHE A 163 -3.031 -4.933 -9.471 1.00 0.00 C ATOM 473 CE2 PHE A 163 -2.176 -7.150 -9.204 1.00 0.00 C ATOM 474 CZ PHE A 163 -2.595 -6.121 -10.025 1.00 0.00 C ATOM 0 H PHE A 163 -3.544 -5.696 -3.131 1.00 0.00 H new ATOM 0 HA PHE A 163 -4.749 -5.154 -5.781 1.00 0.00 H new ATOM 0 HB2 PHE A 163 -2.222 -4.662 -5.519 1.00 0.00 H new ATOM 0 HB3 PHE A 163 -2.017 -6.391 -5.317 1.00 0.00 H new ATOM 0 HD1 PHE A 163 -3.394 -3.849 -7.670 1.00 0.00 H new ATOM 0 HD2 PHE A 163 -1.867 -7.797 -7.194 1.00 0.00 H new ATOM 0 HE1 PHE A 163 -3.357 -4.126 -10.110 1.00 0.00 H new ATOM 0 HE2 PHE A 163 -1.833 -8.079 -9.634 1.00 0.00 H new ATOM 0 HZ PHE A 163 -2.582 -6.245 -11.098 1.00 0.00 H new ATOM 484 N CYS A 164 -3.857 -7.990 -4.317 1.00 0.00 N ATOM 485 CA CYS A 164 -4.195 -9.403 -4.200 1.00 0.00 C ATOM 486 C CYS A 164 -4.460 -9.781 -2.745 1.00 0.00 C ATOM 487 O CYS A 164 -4.312 -10.940 -2.359 1.00 0.00 O ATOM 488 CB CYS A 164 -3.066 -10.267 -4.765 1.00 0.00 C ATOM 489 SG CYS A 164 -1.543 -10.248 -3.766 1.00 0.00 S ATOM 0 H CYS A 164 -3.087 -7.690 -3.719 1.00 0.00 H new ATOM 0 HA CYS A 164 -5.104 -9.582 -4.775 1.00 0.00 H new ATOM 0 HB2 CYS A 164 -3.418 -11.295 -4.851 1.00 0.00 H new ATOM 0 HB3 CYS A 164 -2.831 -9.925 -5.773 1.00 0.00 H new ATOM 0 HG CYS A 164 -0.649 -11.009 -4.324 1.00 0.00 H new ATOM 494 N GLN A 165 -4.851 -8.794 -1.946 1.00 0.00 N ATOM 495 CA GLN A 165 -5.136 -9.023 -0.534 1.00 0.00 C ATOM 496 C GLN A 165 -4.038 -9.859 0.114 1.00 0.00 C ATOM 497 O GLN A 165 -4.302 -10.666 1.006 1.00 0.00 O ATOM 498 CB GLN A 165 -6.488 -9.721 -0.371 1.00 0.00 C ATOM 499 CG GLN A 165 -7.654 -8.927 -0.938 1.00 0.00 C ATOM 500 CD GLN A 165 -8.953 -9.195 -0.204 1.00 0.00 C ATOM 501 OE1 GLN A 165 -9.000 -10.000 0.726 1.00 0.00 O ATOM 502 NE2 GLN A 165 -10.018 -8.518 -0.620 1.00 0.00 N ATOM 0 H GLN A 165 -4.978 -7.829 -2.251 1.00 0.00 H new ATOM 0 HA GLN A 165 -5.173 -8.055 -0.035 1.00 0.00 H new ATOM 0 HB2 GLN A 165 -6.448 -10.693 -0.863 1.00 0.00 H new ATOM 0 HB3 GLN A 165 -6.666 -9.907 0.688 1.00 0.00 H new ATOM 0 HG2 GLN A 165 -7.424 -7.863 -0.885 1.00 0.00 H new ATOM 0 HG3 GLN A 165 -7.779 -9.174 -1.992 1.00 0.00 H new ATOM 0 HE21 GLN A 165 -9.933 -7.860 -1.395 1.00 0.00 H new ATOM 0 HE22 GLN A 165 -10.920 -8.656 -0.164 1.00 0.00 H new ATOM 511 N SER A 166 -2.804 -9.661 -0.340 1.00 0.00 N ATOM 512 CA SER A 166 -1.666 -10.401 0.193 1.00 0.00 C ATOM 513 C SER A 166 -1.116 -9.723 1.444 1.00 0.00 C ATOM 514 O SER A 166 -0.126 -8.992 1.384 1.00 0.00 O ATOM 515 CB SER A 166 -0.565 -10.516 -0.864 1.00 0.00 C ATOM 516 OG SER A 166 0.692 -10.778 -0.265 1.00 0.00 O ATOM 0 H SER A 166 -2.567 -8.995 -1.075 1.00 0.00 H new ATOM 0 HA SER A 166 -2.007 -11.401 0.462 1.00 0.00 H new ATOM 0 HB2 SER A 166 -0.811 -11.314 -1.564 1.00 0.00 H new ATOM 0 HB3 SER A 166 -0.511 -9.592 -1.440 1.00 0.00 H new ATOM 0 HG SER A 166 0.966 -10.005 0.272 1.00 0.00 H new ATOM 522 N ILE A 167 -1.764 -9.971 2.577 1.00 0.00 N ATOM 523 CA ILE A 167 -1.340 -9.386 3.843 1.00 0.00 C ATOM 524 C ILE A 167 0.160 -9.558 4.053 1.00 0.00 C ATOM 525 O ILE A 167 0.785 -8.800 4.795 1.00 0.00 O ATOM 526 CB ILE A 167 -2.089 -10.015 5.033 1.00 0.00 C ATOM 527 CG1 ILE A 167 -1.796 -11.515 5.112 1.00 0.00 C ATOM 528 CG2 ILE A 167 -3.585 -9.768 4.908 1.00 0.00 C ATOM 529 CD1 ILE A 167 -2.199 -12.141 6.429 1.00 0.00 C ATOM 0 H ILE A 167 -2.585 -10.573 2.644 1.00 0.00 H new ATOM 0 HA ILE A 167 -1.578 -8.323 3.795 1.00 0.00 H new ATOM 0 HB ILE A 167 -1.739 -9.546 5.953 1.00 0.00 H new ATOM 0 HG12 ILE A 167 -2.320 -12.022 4.302 1.00 0.00 H new ATOM 0 HG13 ILE A 167 -0.730 -11.678 4.953 1.00 0.00 H new ATOM 0 HG21 ILE A 167 -4.100 -10.219 5.756 1.00 0.00 H new ATOM 0 HG22 ILE A 167 -3.777 -8.695 4.895 1.00 0.00 H new ATOM 0 HG23 ILE A 167 -3.951 -10.213 3.983 1.00 0.00 H new ATOM 0 HD11 ILE A 167 -1.962 -13.205 6.414 1.00 0.00 H new ATOM 0 HD12 ILE A 167 -1.655 -11.660 7.242 1.00 0.00 H new ATOM 0 HD13 ILE A 167 -3.270 -12.010 6.581 1.00 0.00 H new ATOM 541 N SER A 168 0.734 -10.559 3.393 1.00 0.00 N ATOM 542 CA SER A 168 2.161 -10.833 3.508 1.00 0.00 C ATOM 543 C SER A 168 2.983 -9.671 2.958 1.00 0.00 C ATOM 544 O SER A 168 3.537 -8.874 3.716 1.00 0.00 O ATOM 545 CB SER A 168 2.517 -12.121 2.764 1.00 0.00 C ATOM 546 OG SER A 168 3.920 -12.251 2.611 1.00 0.00 O ATOM 0 H SER A 168 0.232 -11.194 2.773 1.00 0.00 H new ATOM 0 HA SER A 168 2.398 -10.956 4.565 1.00 0.00 H new ATOM 0 HB2 SER A 168 2.127 -12.980 3.310 1.00 0.00 H new ATOM 0 HB3 SER A 168 2.040 -12.122 1.784 1.00 0.00 H new ATOM 0 HG SER A 168 4.121 -13.083 2.134 1.00 0.00 H new ATOM 552 N HIS A 169 3.058 -9.582 1.634 1.00 0.00 N ATOM 553 CA HIS A 169 3.811 -8.517 0.981 1.00 0.00 C ATOM 554 C HIS A 169 2.934 -7.290 0.755 1.00 0.00 C ATOM 555 O HIS A 169 1.756 -7.283 1.112 1.00 0.00 O ATOM 556 CB HIS A 169 4.375 -9.008 -0.353 1.00 0.00 C ATOM 557 CG HIS A 169 3.326 -9.239 -1.398 1.00 0.00 C ATOM 558 ND1 HIS A 169 3.180 -10.437 -2.065 1.00 0.00 N ATOM 559 CD2 HIS A 169 2.368 -8.418 -1.887 1.00 0.00 C ATOM 560 CE1 HIS A 169 2.179 -10.342 -2.921 1.00 0.00 C ATOM 561 NE2 HIS A 169 1.668 -9.127 -2.833 1.00 0.00 N ATOM 0 H HIS A 169 2.607 -10.234 0.992 1.00 0.00 H new ATOM 0 HA HIS A 169 4.636 -8.235 1.635 1.00 0.00 H new ATOM 0 HB2 HIS A 169 5.093 -8.277 -0.726 1.00 0.00 H new ATOM 0 HB3 HIS A 169 4.922 -9.936 -0.187 1.00 0.00 H new ATOM 0 HD1 HIS A 169 3.755 -11.267 -1.920 1.00 0.00 H new ATOM 0 HD2 HIS A 169 2.187 -7.396 -1.589 1.00 0.00 H new ATOM 0 HE1 HIS A 169 1.836 -11.125 -3.581 1.00 0.00 H new ATOM 569 N MET A 170 3.516 -6.253 0.163 1.00 0.00 N ATOM 570 CA MET A 170 2.786 -5.020 -0.110 1.00 0.00 C ATOM 571 C MET A 170 2.552 -4.847 -1.607 1.00 0.00 C ATOM 572 O MET A 170 3.111 -5.581 -2.422 1.00 0.00 O ATOM 573 CB MET A 170 3.553 -3.816 0.441 1.00 0.00 C ATOM 574 CG MET A 170 3.374 -3.614 1.937 1.00 0.00 C ATOM 575 SD MET A 170 3.703 -1.918 2.453 1.00 0.00 S ATOM 576 CE MET A 170 5.457 -2.006 2.805 1.00 0.00 C ATOM 0 H MET A 170 4.491 -6.241 -0.137 1.00 0.00 H new ATOM 0 HA MET A 170 1.817 -5.083 0.386 1.00 0.00 H new ATOM 0 HB2 MET A 170 4.614 -3.941 0.224 1.00 0.00 H new ATOM 0 HB3 MET A 170 3.225 -2.917 -0.081 1.00 0.00 H new ATOM 0 HG2 MET A 170 2.356 -3.884 2.217 1.00 0.00 H new ATOM 0 HG3 MET A 170 4.041 -4.289 2.473 1.00 0.00 H new ATOM 0 HE1 MET A 170 5.811 -1.030 3.137 1.00 0.00 H new ATOM 0 HE2 MET A 170 5.634 -2.742 3.589 1.00 0.00 H new ATOM 0 HE3 MET A 170 5.995 -2.299 1.903 1.00 0.00 H new ATOM 586 N VAL A 171 1.722 -3.871 -1.963 1.00 0.00 N ATOM 587 CA VAL A 171 1.415 -3.601 -3.363 1.00 0.00 C ATOM 588 C VAL A 171 2.636 -3.062 -4.099 1.00 0.00 C ATOM 589 O VAL A 171 2.808 -3.302 -5.294 1.00 0.00 O ATOM 590 CB VAL A 171 0.259 -2.592 -3.499 1.00 0.00 C ATOM 591 CG1 VAL A 171 0.668 -1.235 -2.946 1.00 0.00 C ATOM 592 CG2 VAL A 171 -0.177 -2.476 -4.952 1.00 0.00 C ATOM 0 H VAL A 171 1.250 -3.254 -1.301 1.00 0.00 H new ATOM 0 HA VAL A 171 1.115 -4.549 -3.810 1.00 0.00 H new ATOM 0 HB VAL A 171 -0.588 -2.954 -2.917 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -0.161 -0.535 -3.050 1.00 0.00 H new ATOM 0 HG12 VAL A 171 0.928 -1.335 -1.892 1.00 0.00 H new ATOM 0 HG13 VAL A 171 1.530 -0.862 -3.499 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -0.994 -1.759 -5.030 1.00 0.00 H new ATOM 0 HG22 VAL A 171 0.663 -2.136 -5.558 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -0.512 -3.449 -5.310 1.00 0.00 H new ATOM 602 N ALA A 172 3.481 -2.333 -3.378 1.00 0.00 N ATOM 603 CA ALA A 172 4.688 -1.761 -3.962 1.00 0.00 C ATOM 604 C ALA A 172 5.669 -2.854 -4.374 1.00 0.00 C ATOM 605 O ALA A 172 6.437 -2.687 -5.321 1.00 0.00 O ATOM 606 CB ALA A 172 5.345 -0.801 -2.982 1.00 0.00 C ATOM 0 H ALA A 172 3.352 -2.124 -2.388 1.00 0.00 H new ATOM 0 HA ALA A 172 4.402 -1.209 -4.857 1.00 0.00 H new ATOM 0 HB1 ALA A 172 6.245 -0.382 -3.432 1.00 0.00 H new ATOM 0 HB2 ALA A 172 4.651 0.004 -2.741 1.00 0.00 H new ATOM 0 HB3 ALA A 172 5.611 -1.337 -2.071 1.00 0.00 H new ATOM 612 N SER A 173 5.638 -3.972 -3.655 1.00 0.00 N ATOM 613 CA SER A 173 6.528 -5.090 -3.943 1.00 0.00 C ATOM 614 C SER A 173 5.789 -6.193 -4.696 1.00 0.00 C ATOM 615 O SER A 173 6.401 -7.001 -5.395 1.00 0.00 O ATOM 616 CB SER A 173 7.116 -5.649 -2.646 1.00 0.00 C ATOM 617 OG SER A 173 8.147 -4.812 -2.151 1.00 0.00 O ATOM 0 H SER A 173 5.006 -4.127 -2.869 1.00 0.00 H new ATOM 0 HA SER A 173 7.339 -4.724 -4.573 1.00 0.00 H new ATOM 0 HB2 SER A 173 6.329 -5.744 -1.898 1.00 0.00 H new ATOM 0 HB3 SER A 173 7.509 -6.650 -2.823 1.00 0.00 H new ATOM 0 HG SER A 173 8.505 -5.190 -1.321 1.00 0.00 H new ATOM 623 N CYS A 174 4.469 -6.218 -4.549 1.00 0.00 N ATOM 624 CA CYS A 174 3.645 -7.220 -5.213 1.00 0.00 C ATOM 625 C CYS A 174 4.203 -7.556 -6.593 1.00 0.00 C ATOM 626 O CYS A 174 4.425 -6.681 -7.430 1.00 0.00 O ATOM 627 CB CYS A 174 2.204 -6.722 -5.341 1.00 0.00 C ATOM 628 SG CYS A 174 1.018 -8.002 -5.864 1.00 0.00 S ATOM 0 H CYS A 174 3.947 -5.555 -3.976 1.00 0.00 H new ATOM 0 HA CYS A 174 3.657 -8.125 -4.605 1.00 0.00 H new ATOM 0 HB2 CYS A 174 1.885 -6.316 -4.381 1.00 0.00 H new ATOM 0 HB3 CYS A 174 2.177 -5.902 -6.058 1.00 0.00 H new ATOM 0 HG CYS A 174 0.874 -8.875 -4.912 1.00 0.00 H new ATOM 633 N PRO A 175 4.434 -8.855 -6.838 1.00 0.00 N ATOM 634 CA PRO A 175 4.968 -9.337 -8.115 1.00 0.00 C ATOM 635 C PRO A 175 3.962 -9.201 -9.252 1.00 0.00 C ATOM 636 O PRO A 175 4.287 -8.691 -10.326 1.00 0.00 O ATOM 637 CB PRO A 175 5.269 -10.812 -7.840 1.00 0.00 C ATOM 638 CG PRO A 175 4.346 -11.186 -6.732 1.00 0.00 C ATOM 639 CD PRO A 175 4.192 -9.952 -5.886 1.00 0.00 C ATOM 0 HA PRO A 175 5.838 -8.763 -8.436 1.00 0.00 H new ATOM 0 HB2 PRO A 175 5.094 -11.424 -8.725 1.00 0.00 H new ATOM 0 HB3 PRO A 175 6.311 -10.957 -7.554 1.00 0.00 H new ATOM 0 HG2 PRO A 175 3.382 -11.515 -7.121 1.00 0.00 H new ATOM 0 HG3 PRO A 175 4.752 -12.011 -6.148 1.00 0.00 H new ATOM 0 HD2 PRO A 175 3.198 -9.889 -5.444 1.00 0.00 H new ATOM 0 HD3 PRO A 175 4.908 -9.936 -5.064 1.00 0.00 H new ATOM 647 N LEU A 176 2.739 -9.660 -9.011 1.00 0.00 N ATOM 648 CA LEU A 176 1.683 -9.589 -10.016 1.00 0.00 C ATOM 649 C LEU A 176 1.645 -8.211 -10.670 1.00 0.00 C ATOM 650 O LEU A 176 1.423 -8.090 -11.875 1.00 0.00 O ATOM 651 CB LEU A 176 0.327 -9.902 -9.382 1.00 0.00 C ATOM 652 CG LEU A 176 0.131 -11.337 -8.891 1.00 0.00 C ATOM 653 CD1 LEU A 176 -1.090 -11.431 -7.990 1.00 0.00 C ATOM 654 CD2 LEU A 176 0.001 -12.291 -10.070 1.00 0.00 C ATOM 0 H LEU A 176 2.454 -10.085 -8.129 1.00 0.00 H new ATOM 0 HA LEU A 176 1.898 -10.330 -10.786 1.00 0.00 H new ATOM 0 HB2 LEU A 176 0.178 -9.227 -8.539 1.00 0.00 H new ATOM 0 HB3 LEU A 176 -0.452 -9.679 -10.111 1.00 0.00 H new ATOM 0 HG LEU A 176 1.008 -11.625 -8.311 1.00 0.00 H new ATOM 0 HD11 LEU A 176 -1.213 -12.459 -7.650 1.00 0.00 H new ATOM 0 HD12 LEU A 176 -0.957 -10.778 -7.128 1.00 0.00 H new ATOM 0 HD13 LEU A 176 -1.976 -11.123 -8.545 1.00 0.00 H new ATOM 0 HD21 LEU A 176 -0.138 -13.308 -9.702 1.00 0.00 H new ATOM 0 HD22 LEU A 176 -0.858 -12.004 -10.677 1.00 0.00 H new ATOM 0 HD23 LEU A 176 0.905 -12.245 -10.677 1.00 0.00 H new ATOM 666 N LYS A 177 1.866 -7.175 -9.868 1.00 0.00 N ATOM 667 CA LYS A 177 1.861 -5.806 -10.368 1.00 0.00 C ATOM 668 C LYS A 177 3.232 -5.421 -10.915 1.00 0.00 C ATOM 669 O LYS A 177 3.382 -5.150 -12.106 1.00 0.00 O ATOM 670 CB LYS A 177 1.454 -4.836 -9.256 1.00 0.00 C ATOM 671 CG LYS A 177 1.613 -3.374 -9.635 1.00 0.00 C ATOM 672 CD LYS A 177 0.873 -2.464 -8.670 1.00 0.00 C ATOM 673 CE LYS A 177 -0.574 -2.262 -9.093 1.00 0.00 C ATOM 674 NZ LYS A 177 -0.719 -1.131 -10.051 1.00 0.00 N ATOM 0 H LYS A 177 2.051 -7.258 -8.868 1.00 0.00 H new ATOM 0 HA LYS A 177 1.135 -5.745 -11.179 1.00 0.00 H new ATOM 0 HB2 LYS A 177 0.414 -5.022 -8.986 1.00 0.00 H new ATOM 0 HB3 LYS A 177 2.055 -5.040 -8.370 1.00 0.00 H new ATOM 0 HG2 LYS A 177 2.671 -3.113 -9.644 1.00 0.00 H new ATOM 0 HG3 LYS A 177 1.237 -3.216 -10.646 1.00 0.00 H new ATOM 0 HD2 LYS A 177 0.904 -2.892 -7.668 1.00 0.00 H new ATOM 0 HD3 LYS A 177 1.377 -1.499 -8.620 1.00 0.00 H new ATOM 0 HE2 LYS A 177 -0.949 -3.177 -9.552 1.00 0.00 H new ATOM 0 HE3 LYS A 177 -1.187 -2.072 -8.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 -1.719 -1.026 -10.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 -0.384 -0.253 -9.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 -0.154 -1.323 -10.903 1.00 0.00 H new ATOM 688 N ALA A 178 4.230 -5.401 -10.038 1.00 0.00 N ATOM 689 CA ALA A 178 5.589 -5.054 -10.434 1.00 0.00 C ATOM 690 C ALA A 178 5.935 -5.654 -11.792 1.00 0.00 C ATOM 691 O ALA A 178 6.538 -4.992 -12.637 1.00 0.00 O ATOM 692 CB ALA A 178 6.582 -5.521 -9.380 1.00 0.00 C ATOM 0 H ALA A 178 4.123 -5.621 -9.048 1.00 0.00 H new ATOM 0 HA ALA A 178 5.650 -3.969 -10.519 1.00 0.00 H new ATOM 0 HB1 ALA A 178 7.593 -5.255 -9.689 1.00 0.00 H new ATOM 0 HB2 ALA A 178 6.355 -5.040 -8.428 1.00 0.00 H new ATOM 0 HB3 ALA A 178 6.510 -6.603 -9.266 1.00 0.00 H new