USER MOD reduce.3.24.130724 H: found=0, std=0, add=346, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 339 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 140 ASN : amide:sc= -1.29 X(o=-3.1,f=-3.1) USER MOD Set 1.2: A 167 THR OG1 : rot -150:sc= -1.82 USER MOD Set 2.1: A 152 CYS SG : rot -141:sc= -0.913 USER MOD Set 2.2: A 155 CYS SG : rot 145:sc= 1.22 USER MOD Set 2.3: A 173 HIS : no HD1:sc= -6.06! C(o=-7.8!,f=-13!) USER MOD Set 2.4: A 176 CYS SG : rot -164:sc= -2.04 USER MOD Set 3.1: A 139 HIS : no HE2:sc= -5.17! C(o=-15!,f=-29!) USER MOD Set 3.2: A 165 CYS SG : rot 163:sc= -2.35! USER MOD Set 3.3: A 168 CYS SG : rot -94:sc= -7.06! USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 THR OG1 : rot 180:sc= -1.49 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 157 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.0964) USER MOD Single : A 161 ASN : amide:sc= -1.94 K(o=-1.9,f=-4!) USER MOD Single : A 166 GLN : amide:sc= -0.315 X(o=-0.31,f=0) USER MOD Single : A 170 TYR OH : rot 180:sc= 0 USER MOD Single : A 171 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.065) USER MOD Single : A 175 HIS : no HD1:sc= -0.176 K(o=-0.18,f=-0.7) USER MOD Single : A 177 SER OG : rot 180:sc= 0 USER MOD Single : A 178 THR OG1 : rot 180:sc= 0.0173 USER MOD Single : A 179 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0522) USER MOD ----------------------------------------------------------------- ATOM 50 N HIS A 139 -0.939 -10.574 -4.320 1.00 0.00 N ATOM 51 CA HIS A 139 -0.813 -9.353 -3.464 1.00 0.00 C ATOM 52 C HIS A 139 0.473 -9.425 -2.611 1.00 0.00 C ATOM 53 O HIS A 139 0.836 -10.470 -2.108 1.00 0.00 O ATOM 54 CB HIS A 139 -2.053 -9.264 -2.557 1.00 0.00 C ATOM 55 CG HIS A 139 -2.985 -8.162 -3.017 1.00 0.00 C ATOM 56 ND1 HIS A 139 -2.611 -7.225 -3.988 1.00 0.00 N ATOM 57 CD2 HIS A 139 -4.250 -7.793 -2.618 1.00 0.00 C ATOM 58 CE1 HIS A 139 -3.636 -6.370 -4.125 1.00 0.00 C ATOM 59 NE2 HIS A 139 -4.648 -6.680 -3.311 1.00 0.00 N ATOM 0 HA HIS A 139 -0.749 -8.465 -4.093 1.00 0.00 H new ATOM 0 HB2 HIS A 139 -2.581 -10.218 -2.563 1.00 0.00 H new ATOM 0 HB3 HIS A 139 -1.743 -9.077 -1.529 1.00 0.00 H new ATOM 0 HD1 HIS A 139 -1.727 -7.198 -4.495 1.00 0.00 H new ATOM 0 HD2 HIS A 139 -4.840 -8.304 -1.871 1.00 0.00 H new ATOM 0 HE1 HIS A 139 -3.642 -5.534 -4.809 1.00 0.00 H new ATOM 67 N ASN A 140 1.169 -8.315 -2.468 1.00 0.00 N ATOM 68 CA ASN A 140 2.443 -8.304 -1.671 1.00 0.00 C ATOM 69 C ASN A 140 2.590 -6.970 -0.925 1.00 0.00 C ATOM 70 O ASN A 140 1.659 -6.211 -0.803 1.00 0.00 O ATOM 71 CB ASN A 140 3.629 -8.474 -2.634 1.00 0.00 C ATOM 72 CG ASN A 140 4.531 -9.614 -2.154 1.00 0.00 C ATOM 73 OD1 ASN A 140 5.676 -9.395 -1.812 1.00 0.00 O ATOM 74 ND2 ASN A 140 4.060 -10.831 -2.119 1.00 0.00 N ATOM 0 H ASN A 140 0.908 -7.415 -2.870 1.00 0.00 H new ATOM 0 HA ASN A 140 2.422 -9.117 -0.945 1.00 0.00 H new ATOM 0 HB2 ASN A 140 3.265 -8.686 -3.639 1.00 0.00 H new ATOM 0 HB3 ASN A 140 4.199 -7.547 -2.690 1.00 0.00 H new ATOM 0 HD21 ASN A 140 4.653 -11.599 -1.804 1.00 0.00 H new ATOM 0 HD22 ASN A 140 3.099 -11.014 -2.406 1.00 0.00 H new ATOM 81 N PHE A 141 3.768 -6.680 -0.436 1.00 0.00 N ATOM 82 CA PHE A 141 3.979 -5.387 0.289 1.00 0.00 C ATOM 83 C PHE A 141 5.465 -5.016 0.263 1.00 0.00 C ATOM 84 O PHE A 141 6.329 -5.870 0.334 1.00 0.00 O ATOM 85 CB PHE A 141 3.509 -5.517 1.748 1.00 0.00 C ATOM 86 CG PHE A 141 2.132 -4.896 1.927 1.00 0.00 C ATOM 87 CD1 PHE A 141 1.832 -3.640 1.374 1.00 0.00 C ATOM 88 CD2 PHE A 141 1.158 -5.582 2.661 1.00 0.00 C ATOM 89 CE1 PHE A 141 0.563 -3.078 1.554 1.00 0.00 C ATOM 90 CE2 PHE A 141 -0.113 -5.020 2.840 1.00 0.00 C ATOM 91 CZ PHE A 141 -0.409 -3.770 2.287 1.00 0.00 C ATOM 0 H PHE A 141 4.591 -7.278 -0.506 1.00 0.00 H new ATOM 0 HA PHE A 141 3.400 -4.607 -0.205 1.00 0.00 H new ATOM 0 HB2 PHE A 141 3.479 -6.569 2.033 1.00 0.00 H new ATOM 0 HB3 PHE A 141 4.223 -5.027 2.410 1.00 0.00 H new ATOM 0 HD1 PHE A 141 2.582 -3.107 0.809 1.00 0.00 H new ATOM 0 HD2 PHE A 141 1.386 -6.546 3.090 1.00 0.00 H new ATOM 0 HE1 PHE A 141 0.334 -2.112 1.128 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -0.864 -5.552 3.405 1.00 0.00 H new ATOM 0 HZ PHE A 141 -1.389 -3.338 2.426 1.00 0.00 H new ATOM 101 N ALA A 142 5.761 -3.746 0.164 1.00 0.00 N ATOM 102 CA ALA A 142 7.184 -3.297 0.135 1.00 0.00 C ATOM 103 C ALA A 142 7.260 -1.822 0.538 1.00 0.00 C ATOM 104 O ALA A 142 6.767 -0.956 -0.159 1.00 0.00 O ATOM 105 CB ALA A 142 7.743 -3.464 -1.281 1.00 0.00 C ATOM 0 H ALA A 142 5.073 -2.996 0.102 1.00 0.00 H new ATOM 0 HA ALA A 142 7.769 -3.898 0.832 1.00 0.00 H new ATOM 0 HB1 ALA A 142 8.782 -3.136 -1.303 1.00 0.00 H new ATOM 0 HB2 ALA A 142 7.687 -4.513 -1.573 1.00 0.00 H new ATOM 0 HB3 ALA A 142 7.158 -2.862 -1.976 1.00 0.00 H new ATOM 111 N ARG A 143 7.871 -1.532 1.660 1.00 0.00 N ATOM 112 CA ARG A 143 7.980 -0.113 2.115 1.00 0.00 C ATOM 113 C ARG A 143 9.122 0.583 1.370 1.00 0.00 C ATOM 114 O ARG A 143 10.275 0.472 1.745 1.00 0.00 O ATOM 115 CB ARG A 143 8.256 -0.075 3.622 1.00 0.00 C ATOM 116 CG ARG A 143 9.462 -0.966 3.961 1.00 0.00 C ATOM 117 CD ARG A 143 10.475 -0.173 4.793 1.00 0.00 C ATOM 118 NE ARG A 143 10.170 -0.345 6.242 1.00 0.00 N ATOM 119 CZ ARG A 143 11.046 -0.903 7.035 1.00 0.00 C ATOM 120 NH1 ARG A 143 11.728 -1.940 6.629 1.00 0.00 N ATOM 121 NH2 ARG A 143 11.238 -0.425 8.234 1.00 0.00 N ATOM 0 H ARG A 143 8.299 -2.219 2.281 1.00 0.00 H new ATOM 0 HA ARG A 143 7.043 0.403 1.904 1.00 0.00 H new ATOM 0 HB2 ARG A 143 8.451 0.950 3.938 1.00 0.00 H new ATOM 0 HB3 ARG A 143 7.377 -0.416 4.169 1.00 0.00 H new ATOM 0 HG2 ARG A 143 9.132 -1.845 4.514 1.00 0.00 H new ATOM 0 HG3 ARG A 143 9.931 -1.324 3.044 1.00 0.00 H new ATOM 0 HD2 ARG A 143 11.487 -0.518 4.580 1.00 0.00 H new ATOM 0 HD3 ARG A 143 10.435 0.883 4.525 1.00 0.00 H new ATOM 0 HE ARG A 143 9.276 -0.027 6.615 1.00 0.00 H new ATOM 0 HH11 ARG A 143 11.577 -2.315 5.692 1.00 0.00 H new ATOM 0 HH12 ARG A 143 12.412 -2.375 7.248 1.00 0.00 H new ATOM 0 HH21 ARG A 143 10.704 0.384 8.552 1.00 0.00 H new ATOM 0 HH22 ARG A 143 11.922 -0.860 8.853 1.00 0.00 H new ATOM 135 N LYS A 144 8.810 1.304 0.322 1.00 0.00 N ATOM 136 CA LYS A 144 9.877 2.011 -0.448 1.00 0.00 C ATOM 137 C LYS A 144 9.343 3.348 -0.971 1.00 0.00 C ATOM 138 O LYS A 144 8.149 3.576 -1.011 1.00 0.00 O ATOM 139 CB LYS A 144 10.315 1.143 -1.629 1.00 0.00 C ATOM 140 CG LYS A 144 9.090 0.759 -2.461 1.00 0.00 C ATOM 141 CD LYS A 144 9.514 -0.189 -3.585 1.00 0.00 C ATOM 142 CE LYS A 144 10.220 0.605 -4.687 1.00 0.00 C ATOM 143 NZ LYS A 144 9.882 0.016 -6.014 1.00 0.00 N ATOM 0 H LYS A 144 7.862 1.433 -0.033 1.00 0.00 H new ATOM 0 HA LYS A 144 10.728 2.195 0.207 1.00 0.00 H new ATOM 0 HB2 LYS A 144 11.032 1.685 -2.246 1.00 0.00 H new ATOM 0 HB3 LYS A 144 10.819 0.246 -1.268 1.00 0.00 H new ATOM 0 HG2 LYS A 144 8.343 0.279 -1.828 1.00 0.00 H new ATOM 0 HG3 LYS A 144 8.627 1.652 -2.880 1.00 0.00 H new ATOM 0 HD2 LYS A 144 10.180 -0.958 -3.194 1.00 0.00 H new ATOM 0 HD3 LYS A 144 8.641 -0.699 -3.993 1.00 0.00 H new ATOM 0 HE2 LYS A 144 9.913 1.650 -4.652 1.00 0.00 H new ATOM 0 HE3 LYS A 144 11.299 0.584 -4.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 10.361 0.554 -6.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 10.196 -0.975 -6.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 8.853 0.058 -6.160 1.00 0.00 H new ATOM 157 N THR A 145 10.224 4.226 -1.378 1.00 0.00 N ATOM 158 CA THR A 145 9.787 5.551 -1.906 1.00 0.00 C ATOM 159 C THR A 145 9.980 5.572 -3.428 1.00 0.00 C ATOM 160 O THR A 145 10.797 4.846 -3.963 1.00 0.00 O ATOM 161 CB THR A 145 10.640 6.654 -1.276 1.00 0.00 C ATOM 162 OG1 THR A 145 10.591 6.539 0.139 1.00 0.00 O ATOM 163 CG2 THR A 145 10.103 8.022 -1.701 1.00 0.00 C ATOM 0 H THR A 145 11.233 4.080 -1.367 1.00 0.00 H new ATOM 0 HA THR A 145 8.737 5.716 -1.663 1.00 0.00 H new ATOM 0 HB THR A 145 11.672 6.553 -1.612 1.00 0.00 H new ATOM 0 HG1 THR A 145 11.138 7.244 0.544 1.00 0.00 H new ATOM 0 HG21 THR A 145 10.711 8.807 -1.252 1.00 0.00 H new ATOM 0 HG22 THR A 145 10.144 8.108 -2.787 1.00 0.00 H new ATOM 0 HG23 THR A 145 9.071 8.127 -1.368 1.00 0.00 H new ATOM 171 N PHE A 146 9.231 6.389 -4.124 1.00 0.00 N ATOM 172 CA PHE A 146 9.364 6.450 -5.615 1.00 0.00 C ATOM 173 C PHE A 146 10.595 7.270 -6.004 1.00 0.00 C ATOM 174 O PHE A 146 11.240 7.878 -5.170 1.00 0.00 O ATOM 175 CB PHE A 146 8.119 7.102 -6.219 1.00 0.00 C ATOM 176 CG PHE A 146 6.923 6.230 -5.957 1.00 0.00 C ATOM 177 CD1 PHE A 146 6.682 5.108 -6.759 1.00 0.00 C ATOM 178 CD2 PHE A 146 6.054 6.543 -4.909 1.00 0.00 C ATOM 179 CE1 PHE A 146 5.570 4.299 -6.511 1.00 0.00 C ATOM 180 CE2 PHE A 146 4.944 5.735 -4.659 1.00 0.00 C ATOM 181 CZ PHE A 146 4.698 4.610 -5.461 1.00 0.00 C ATOM 0 H PHE A 146 8.533 7.017 -3.726 1.00 0.00 H new ATOM 0 HA PHE A 146 9.472 5.435 -5.996 1.00 0.00 H new ATOM 0 HB2 PHE A 146 7.965 8.090 -5.785 1.00 0.00 H new ATOM 0 HB3 PHE A 146 8.253 7.243 -7.292 1.00 0.00 H new ATOM 0 HD1 PHE A 146 7.355 4.868 -7.569 1.00 0.00 H new ATOM 0 HD2 PHE A 146 6.241 7.410 -4.293 1.00 0.00 H new ATOM 0 HE1 PHE A 146 5.383 3.434 -7.130 1.00 0.00 H new ATOM 0 HE2 PHE A 146 4.273 5.976 -3.847 1.00 0.00 H new ATOM 0 HZ PHE A 146 3.838 3.986 -5.269 1.00 0.00 H new ATOM 191 N LEU A 147 10.914 7.291 -7.273 1.00 0.00 N ATOM 192 CA LEU A 147 12.095 8.070 -7.747 1.00 0.00 C ATOM 193 C LEU A 147 11.616 9.411 -8.308 1.00 0.00 C ATOM 194 O LEU A 147 12.301 10.413 -8.215 1.00 0.00 O ATOM 195 CB LEU A 147 12.817 7.279 -8.850 1.00 0.00 C ATOM 196 CG LEU A 147 14.027 6.530 -8.271 1.00 0.00 C ATOM 197 CD1 LEU A 147 15.028 7.530 -7.686 1.00 0.00 C ATOM 198 CD2 LEU A 147 13.568 5.563 -7.174 1.00 0.00 C ATOM 0 H LEU A 147 10.403 6.798 -8.005 1.00 0.00 H new ATOM 0 HA LEU A 147 12.782 8.243 -6.918 1.00 0.00 H new ATOM 0 HB2 LEU A 147 12.128 6.569 -9.307 1.00 0.00 H new ATOM 0 HB3 LEU A 147 13.145 7.958 -9.637 1.00 0.00 H new ATOM 0 HG LEU A 147 14.507 5.965 -9.070 1.00 0.00 H new ATOM 0 HD11 LEU A 147 15.883 6.992 -7.277 1.00 0.00 H new ATOM 0 HD12 LEU A 147 15.366 8.207 -8.470 1.00 0.00 H new ATOM 0 HD13 LEU A 147 14.548 8.104 -6.893 1.00 0.00 H new ATOM 0 HD21 LEU A 147 14.432 5.036 -6.769 1.00 0.00 H new ATOM 0 HD22 LEU A 147 13.078 6.123 -6.377 1.00 0.00 H new ATOM 0 HD23 LEU A 147 12.867 4.842 -7.595 1.00 0.00 H new ATOM 210 N LYS A 148 10.442 9.434 -8.886 1.00 0.00 N ATOM 211 CA LYS A 148 9.904 10.701 -9.457 1.00 0.00 C ATOM 212 C LYS A 148 8.546 11.009 -8.822 1.00 0.00 C ATOM 213 O LYS A 148 8.419 11.913 -8.019 1.00 0.00 O ATOM 214 CB LYS A 148 9.740 10.552 -10.971 1.00 0.00 C ATOM 215 CG LYS A 148 11.113 10.632 -11.642 1.00 0.00 C ATOM 216 CD LYS A 148 10.955 10.455 -13.152 1.00 0.00 C ATOM 217 CE LYS A 148 12.337 10.362 -13.803 1.00 0.00 C ATOM 218 NZ LYS A 148 12.787 11.724 -14.209 1.00 0.00 N ATOM 0 H LYS A 148 9.831 8.623 -8.986 1.00 0.00 H new ATOM 0 HA LYS A 148 10.596 11.517 -9.248 1.00 0.00 H new ATOM 0 HB2 LYS A 148 9.264 9.599 -11.204 1.00 0.00 H new ATOM 0 HB3 LYS A 148 9.089 11.337 -11.356 1.00 0.00 H new ATOM 0 HG2 LYS A 148 11.580 11.593 -11.425 1.00 0.00 H new ATOM 0 HG3 LYS A 148 11.770 9.860 -11.242 1.00 0.00 H new ATOM 0 HD2 LYS A 148 10.380 9.554 -13.365 1.00 0.00 H new ATOM 0 HD3 LYS A 148 10.400 11.294 -13.571 1.00 0.00 H new ATOM 0 HE2 LYS A 148 13.051 9.924 -13.105 1.00 0.00 H new ATOM 0 HE3 LYS A 148 12.298 9.706 -14.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 13.726 11.662 -14.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 12.110 12.125 -14.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 12.839 12.337 -13.370 1.00 0.00 H new ATOM 232 N LEU A 149 7.537 10.259 -9.177 1.00 0.00 N ATOM 233 CA LEU A 149 6.181 10.495 -8.599 1.00 0.00 C ATOM 234 C LEU A 149 5.301 9.263 -8.823 1.00 0.00 C ATOM 235 O LEU A 149 5.561 8.449 -9.688 1.00 0.00 O ATOM 236 CB LEU A 149 5.540 11.712 -9.273 1.00 0.00 C ATOM 237 CG LEU A 149 4.695 12.475 -8.250 1.00 0.00 C ATOM 238 CD1 LEU A 149 5.599 13.378 -7.408 1.00 0.00 C ATOM 239 CD2 LEU A 149 3.661 13.334 -8.982 1.00 0.00 C ATOM 0 H LEU A 149 7.593 9.490 -9.845 1.00 0.00 H new ATOM 0 HA LEU A 149 6.275 10.680 -7.529 1.00 0.00 H new ATOM 0 HB2 LEU A 149 6.312 12.364 -9.681 1.00 0.00 H new ATOM 0 HB3 LEU A 149 4.918 11.393 -10.109 1.00 0.00 H new ATOM 0 HG LEU A 149 4.186 11.763 -7.600 1.00 0.00 H new ATOM 0 HD11 LEU A 149 4.995 13.920 -6.680 1.00 0.00 H new ATOM 0 HD12 LEU A 149 6.337 12.769 -6.886 1.00 0.00 H new ATOM 0 HD13 LEU A 149 6.110 14.089 -8.058 1.00 0.00 H new ATOM 0 HD21 LEU A 149 3.059 13.878 -8.254 1.00 0.00 H new ATOM 0 HD22 LEU A 149 4.172 14.044 -9.632 1.00 0.00 H new ATOM 0 HD23 LEU A 149 3.014 12.693 -9.582 1.00 0.00 H new ATOM 251 N ALA A 150 4.261 9.126 -8.041 1.00 0.00 N ATOM 252 CA ALA A 150 3.346 7.956 -8.184 1.00 0.00 C ATOM 253 C ALA A 150 1.902 8.442 -8.007 1.00 0.00 C ATOM 254 O ALA A 150 1.645 9.630 -8.068 1.00 0.00 O ATOM 255 CB ALA A 150 3.703 6.921 -7.113 1.00 0.00 C ATOM 0 H ALA A 150 4.005 9.782 -7.303 1.00 0.00 H new ATOM 0 HA ALA A 150 3.449 7.497 -9.167 1.00 0.00 H new ATOM 0 HB1 ALA A 150 3.042 6.059 -7.205 1.00 0.00 H new ATOM 0 HB2 ALA A 150 4.737 6.601 -7.246 1.00 0.00 H new ATOM 0 HB3 ALA A 150 3.585 7.365 -6.124 1.00 0.00 H new ATOM 261 N PHE A 151 0.951 7.553 -7.795 1.00 0.00 N ATOM 262 CA PHE A 151 -0.466 8.010 -7.624 1.00 0.00 C ATOM 263 C PHE A 151 -1.300 6.959 -6.876 1.00 0.00 C ATOM 264 O PHE A 151 -1.398 5.820 -7.291 1.00 0.00 O ATOM 265 CB PHE A 151 -1.094 8.235 -9.000 1.00 0.00 C ATOM 266 CG PHE A 151 -0.651 9.559 -9.578 1.00 0.00 C ATOM 267 CD1 PHE A 151 -1.310 10.741 -9.210 1.00 0.00 C ATOM 268 CD2 PHE A 151 0.408 9.604 -10.491 1.00 0.00 C ATOM 269 CE1 PHE A 151 -0.904 11.965 -9.755 1.00 0.00 C ATOM 270 CE2 PHE A 151 0.814 10.829 -11.034 1.00 0.00 C ATOM 271 CZ PHE A 151 0.157 12.010 -10.666 1.00 0.00 C ATOM 0 H PHE A 151 1.096 6.545 -7.734 1.00 0.00 H new ATOM 0 HA PHE A 151 -0.457 8.934 -7.046 1.00 0.00 H new ATOM 0 HB2 PHE A 151 -0.809 7.425 -9.672 1.00 0.00 H new ATOM 0 HB3 PHE A 151 -2.181 8.214 -8.917 1.00 0.00 H new ATOM 0 HD1 PHE A 151 -2.129 10.707 -8.507 1.00 0.00 H new ATOM 0 HD2 PHE A 151 0.913 8.693 -10.777 1.00 0.00 H new ATOM 0 HE1 PHE A 151 -1.411 12.876 -9.472 1.00 0.00 H new ATOM 0 HE2 PHE A 151 1.634 10.863 -11.736 1.00 0.00 H new ATOM 0 HZ PHE A 151 0.469 12.955 -11.085 1.00 0.00 H new ATOM 281 N CYS A 152 -1.917 7.348 -5.785 1.00 0.00 N ATOM 282 CA CYS A 152 -2.771 6.400 -5.005 1.00 0.00 C ATOM 283 C CYS A 152 -4.199 6.401 -5.566 1.00 0.00 C ATOM 284 O CYS A 152 -4.900 7.392 -5.483 1.00 0.00 O ATOM 285 CB CYS A 152 -2.828 6.858 -3.554 1.00 0.00 C ATOM 286 SG CYS A 152 -3.754 5.653 -2.573 1.00 0.00 S ATOM 0 H CYS A 152 -1.864 8.291 -5.399 1.00 0.00 H new ATOM 0 HA CYS A 152 -2.346 5.399 -5.075 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -1.819 6.967 -3.157 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -3.303 7.837 -3.489 1.00 0.00 H new ATOM 0 HG CYS A 152 -4.486 6.276 -1.698 1.00 0.00 H new ATOM 291 N ASP A 153 -4.639 5.296 -6.104 1.00 0.00 N ATOM 292 CA ASP A 153 -6.028 5.220 -6.653 1.00 0.00 C ATOM 293 C ASP A 153 -7.056 5.410 -5.521 1.00 0.00 C ATOM 294 O ASP A 153 -8.188 5.785 -5.763 1.00 0.00 O ATOM 295 CB ASP A 153 -6.228 3.847 -7.311 1.00 0.00 C ATOM 296 CG ASP A 153 -6.283 4.003 -8.834 1.00 0.00 C ATOM 297 OD1 ASP A 153 -5.247 4.279 -9.418 1.00 0.00 O ATOM 298 OD2 ASP A 153 -7.358 3.842 -9.387 1.00 0.00 O ATOM 0 H ASP A 153 -4.095 4.437 -6.188 1.00 0.00 H new ATOM 0 HA ASP A 153 -6.172 6.009 -7.391 1.00 0.00 H new ATOM 0 HB2 ASP A 153 -5.412 3.179 -7.034 1.00 0.00 H new ATOM 0 HB3 ASP A 153 -7.150 3.391 -6.950 1.00 0.00 H new ATOM 303 N ILE A 154 -6.676 5.142 -4.295 1.00 0.00 N ATOM 304 CA ILE A 154 -7.628 5.291 -3.147 1.00 0.00 C ATOM 305 C ILE A 154 -7.767 6.761 -2.759 1.00 0.00 C ATOM 306 O ILE A 154 -8.801 7.184 -2.274 1.00 0.00 O ATOM 307 CB ILE A 154 -7.080 4.519 -1.936 1.00 0.00 C ATOM 308 CG1 ILE A 154 -6.828 3.036 -2.367 1.00 0.00 C ATOM 309 CG2 ILE A 154 -8.047 4.654 -0.732 1.00 0.00 C ATOM 310 CD1 ILE A 154 -7.902 2.078 -1.824 1.00 0.00 C ATOM 0 H ILE A 154 -5.741 4.824 -4.038 1.00 0.00 H new ATOM 0 HA ILE A 154 -8.601 4.901 -3.445 1.00 0.00 H new ATOM 0 HB ILE A 154 -6.129 4.935 -1.603 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -6.807 2.975 -3.455 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -5.848 2.718 -2.011 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -7.647 4.103 0.119 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -8.152 5.706 -0.466 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -9.022 4.248 -1.001 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -7.682 1.062 -2.151 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -7.906 2.116 -0.735 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -8.880 2.377 -2.201 1.00 0.00 H new ATOM 322 N CYS A 155 -6.723 7.523 -2.920 1.00 0.00 N ATOM 323 CA CYS A 155 -6.774 8.944 -2.508 1.00 0.00 C ATOM 324 C CYS A 155 -6.925 9.880 -3.720 1.00 0.00 C ATOM 325 O CYS A 155 -7.074 11.077 -3.569 1.00 0.00 O ATOM 326 CB CYS A 155 -5.508 9.231 -1.726 1.00 0.00 C ATOM 327 SG CYS A 155 -5.478 8.159 -0.255 1.00 0.00 S ATOM 0 H CYS A 155 -5.836 7.218 -3.321 1.00 0.00 H new ATOM 0 HA CYS A 155 -7.649 9.128 -1.885 1.00 0.00 H new ATOM 0 HB2 CYS A 155 -4.631 9.047 -2.346 1.00 0.00 H new ATOM 0 HB3 CYS A 155 -5.475 10.280 -1.431 1.00 0.00 H new ATOM 0 HG CYS A 155 -4.252 7.810 0.003 1.00 0.00 H new ATOM 332 N GLN A 156 -6.923 9.341 -4.917 1.00 0.00 N ATOM 333 CA GLN A 156 -7.107 10.180 -6.146 1.00 0.00 C ATOM 334 C GLN A 156 -5.990 11.220 -6.312 1.00 0.00 C ATOM 335 O GLN A 156 -6.091 12.088 -7.159 1.00 0.00 O ATOM 336 CB GLN A 156 -8.456 10.900 -6.071 1.00 0.00 C ATOM 337 CG GLN A 156 -9.568 9.876 -5.837 1.00 0.00 C ATOM 338 CD GLN A 156 -10.869 10.605 -5.498 1.00 0.00 C ATOM 339 OE1 GLN A 156 -11.320 10.576 -4.370 1.00 0.00 O ATOM 340 NE2 GLN A 156 -11.495 11.264 -6.435 1.00 0.00 N ATOM 0 H GLN A 156 -6.800 8.344 -5.097 1.00 0.00 H new ATOM 0 HA GLN A 156 -7.072 9.514 -7.008 1.00 0.00 H new ATOM 0 HB2 GLN A 156 -8.445 11.632 -5.263 1.00 0.00 H new ATOM 0 HB3 GLN A 156 -8.640 11.448 -6.995 1.00 0.00 H new ATOM 0 HG2 GLN A 156 -9.704 9.261 -6.727 1.00 0.00 H new ATOM 0 HG3 GLN A 156 -9.293 9.204 -5.024 1.00 0.00 H new ATOM 0 HE21 GLN A 156 -11.116 11.288 -7.382 1.00 0.00 H new ATOM 0 HE22 GLN A 156 -12.363 11.755 -6.220 1.00 0.00 H new ATOM 349 N LYS A 157 -4.929 11.148 -5.544 1.00 0.00 N ATOM 350 CA LYS A 157 -3.834 12.134 -5.705 1.00 0.00 C ATOM 351 C LYS A 157 -2.544 11.365 -5.940 1.00 0.00 C ATOM 352 O LYS A 157 -2.562 10.172 -6.149 1.00 0.00 O ATOM 353 CB LYS A 157 -3.720 12.980 -4.432 1.00 0.00 C ATOM 354 CG LYS A 157 -3.563 12.060 -3.217 1.00 0.00 C ATOM 355 CD LYS A 157 -3.567 12.896 -1.938 1.00 0.00 C ATOM 356 CE LYS A 157 -5.009 13.151 -1.487 1.00 0.00 C ATOM 357 NZ LYS A 157 -5.366 14.575 -1.747 1.00 0.00 N ATOM 0 H LYS A 157 -4.782 10.448 -4.817 1.00 0.00 H new ATOM 0 HA LYS A 157 -4.032 12.798 -6.546 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -2.865 13.652 -4.505 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -4.607 13.604 -4.317 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -4.375 11.333 -3.191 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -2.633 11.497 -3.292 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -3.017 12.378 -1.152 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -3.058 13.844 -2.111 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -5.691 12.490 -2.022 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -5.115 12.926 -0.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -6.395 14.658 -1.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -5.065 15.161 -0.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -4.887 14.901 -2.611 1.00 0.00 H new ATOM 371 N PHE A 158 -1.437 12.035 -5.903 1.00 0.00 N ATOM 372 CA PHE A 158 -0.130 11.358 -6.107 1.00 0.00 C ATOM 373 C PHE A 158 0.099 10.341 -4.970 1.00 0.00 C ATOM 374 O PHE A 158 -0.608 10.337 -3.979 1.00 0.00 O ATOM 375 CB PHE A 158 0.967 12.438 -6.046 1.00 0.00 C ATOM 376 CG PHE A 158 1.020 12.987 -4.635 1.00 0.00 C ATOM 377 CD1 PHE A 158 0.199 14.051 -4.257 1.00 0.00 C ATOM 378 CD2 PHE A 158 1.847 12.369 -3.692 1.00 0.00 C ATOM 379 CE1 PHE A 158 0.204 14.498 -2.936 1.00 0.00 C ATOM 380 CE2 PHE A 158 1.859 12.821 -2.375 1.00 0.00 C ATOM 381 CZ PHE A 158 1.037 13.885 -1.990 1.00 0.00 C ATOM 0 H PHE A 158 -1.377 13.040 -5.738 1.00 0.00 H new ATOM 0 HA PHE A 158 -0.110 10.837 -7.064 1.00 0.00 H new ATOM 0 HB2 PHE A 158 1.932 12.014 -6.325 1.00 0.00 H new ATOM 0 HB3 PHE A 158 0.753 13.237 -6.756 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -0.439 14.527 -4.987 1.00 0.00 H new ATOM 0 HD2 PHE A 158 2.476 11.542 -3.985 1.00 0.00 H new ATOM 0 HE1 PHE A 158 -0.435 15.318 -2.642 1.00 0.00 H new ATOM 0 HE2 PHE A 158 2.505 12.349 -1.649 1.00 0.00 H new ATOM 0 HZ PHE A 158 1.044 14.233 -0.968 1.00 0.00 H new ATOM 391 N LEU A 159 1.129 9.551 -5.076 1.00 0.00 N ATOM 392 CA LEU A 159 1.479 8.609 -3.977 1.00 0.00 C ATOM 393 C LEU A 159 2.912 8.929 -3.559 1.00 0.00 C ATOM 394 O LEU A 159 3.746 9.247 -4.388 1.00 0.00 O ATOM 395 CB LEU A 159 1.389 7.149 -4.427 1.00 0.00 C ATOM 396 CG LEU A 159 1.662 6.244 -3.216 1.00 0.00 C ATOM 397 CD1 LEU A 159 0.395 6.129 -2.371 1.00 0.00 C ATOM 398 CD2 LEU A 159 2.093 4.850 -3.686 1.00 0.00 C ATOM 0 H LEU A 159 1.750 9.517 -5.885 1.00 0.00 H new ATOM 0 HA LEU A 159 0.777 8.731 -3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 159 0.402 6.941 -4.840 1.00 0.00 H new ATOM 0 HB3 LEU A 159 2.113 6.952 -5.217 1.00 0.00 H new ATOM 0 HG LEU A 159 2.463 6.680 -2.619 1.00 0.00 H new ATOM 0 HD11 LEU A 159 0.588 5.487 -1.512 1.00 0.00 H new ATOM 0 HD12 LEU A 159 0.097 7.119 -2.025 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -0.406 5.699 -2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 159 2.284 4.217 -2.820 1.00 0.00 H new ATOM 0 HD22 LEU A 159 1.301 4.409 -4.290 1.00 0.00 H new ATOM 0 HD23 LEU A 159 3.001 4.932 -4.283 1.00 0.00 H new ATOM 410 N LEU A 160 3.201 8.881 -2.288 1.00 0.00 N ATOM 411 CA LEU A 160 4.565 9.214 -1.820 1.00 0.00 C ATOM 412 C LEU A 160 5.179 8.002 -1.124 1.00 0.00 C ATOM 413 O LEU A 160 4.653 6.907 -1.189 1.00 0.00 O ATOM 414 CB LEU A 160 4.448 10.376 -0.834 1.00 0.00 C ATOM 415 CG LEU A 160 3.529 9.987 0.341 1.00 0.00 C ATOM 416 CD1 LEU A 160 4.225 10.298 1.670 1.00 0.00 C ATOM 417 CD2 LEU A 160 2.221 10.781 0.264 1.00 0.00 C ATOM 0 H LEU A 160 2.543 8.623 -1.553 1.00 0.00 H new ATOM 0 HA LEU A 160 5.203 9.491 -2.660 1.00 0.00 H new ATOM 0 HB2 LEU A 160 5.435 10.645 -0.459 1.00 0.00 H new ATOM 0 HB3 LEU A 160 4.049 11.254 -1.342 1.00 0.00 H new ATOM 0 HG LEU A 160 3.314 8.920 0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 160 3.571 10.021 2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 160 5.153 9.731 1.736 1.00 0.00 H new ATOM 0 HD13 LEU A 160 4.447 11.364 1.724 1.00 0.00 H new ATOM 0 HD21 LEU A 160 1.576 10.501 1.097 1.00 0.00 H new ATOM 0 HD22 LEU A 160 2.439 11.848 0.316 1.00 0.00 H new ATOM 0 HD23 LEU A 160 1.716 10.560 -0.676 1.00 0.00 H new ATOM 429 N ASN A 161 6.286 8.189 -0.442 1.00 0.00 N ATOM 430 CA ASN A 161 6.935 7.049 0.280 1.00 0.00 C ATOM 431 C ASN A 161 5.899 6.400 1.203 1.00 0.00 C ATOM 432 O ASN A 161 5.626 6.894 2.282 1.00 0.00 O ATOM 433 CB ASN A 161 8.108 7.573 1.114 1.00 0.00 C ATOM 434 CG ASN A 161 7.634 8.724 2.008 1.00 0.00 C ATOM 435 OD1 ASN A 161 7.476 9.838 1.552 1.00 0.00 O ATOM 436 ND2 ASN A 161 7.401 8.499 3.272 1.00 0.00 N ATOM 0 H ASN A 161 6.768 9.084 -0.355 1.00 0.00 H new ATOM 0 HA ASN A 161 7.306 6.316 -0.437 1.00 0.00 H new ATOM 0 HB2 ASN A 161 8.519 6.770 1.726 1.00 0.00 H new ATOM 0 HB3 ASN A 161 8.909 7.915 0.458 1.00 0.00 H new ATOM 0 HD21 ASN A 161 7.086 9.259 3.876 1.00 0.00 H new ATOM 0 HD22 ASN A 161 7.533 7.563 3.656 1.00 0.00 H new ATOM 443 N GLY A 162 5.300 5.317 0.778 1.00 0.00 N ATOM 444 CA GLY A 162 4.260 4.673 1.632 1.00 0.00 C ATOM 445 C GLY A 162 4.389 3.158 1.572 1.00 0.00 C ATOM 446 O GLY A 162 5.320 2.585 2.108 1.00 0.00 O ATOM 0 H GLY A 162 5.484 4.856 -0.113 1.00 0.00 H new ATOM 0 HA2 GLY A 162 4.365 5.013 2.662 1.00 0.00 H new ATOM 0 HA3 GLY A 162 3.267 4.974 1.297 1.00 0.00 H new ATOM 450 N PHE A 163 3.450 2.506 0.939 1.00 0.00 N ATOM 451 CA PHE A 163 3.504 1.024 0.858 1.00 0.00 C ATOM 452 C PHE A 163 2.918 0.538 -0.466 1.00 0.00 C ATOM 453 O PHE A 163 1.737 0.676 -0.728 1.00 0.00 O ATOM 454 CB PHE A 163 2.691 0.428 2.009 1.00 0.00 C ATOM 455 CG PHE A 163 3.590 0.187 3.196 1.00 0.00 C ATOM 456 CD1 PHE A 163 3.781 1.195 4.146 1.00 0.00 C ATOM 457 CD2 PHE A 163 4.230 -1.049 3.347 1.00 0.00 C ATOM 458 CE1 PHE A 163 4.614 0.969 5.249 1.00 0.00 C ATOM 459 CE2 PHE A 163 5.061 -1.276 4.449 1.00 0.00 C ATOM 460 CZ PHE A 163 5.254 -0.267 5.401 1.00 0.00 C ATOM 0 H PHE A 163 2.650 2.938 0.476 1.00 0.00 H new ATOM 0 HA PHE A 163 4.545 0.707 0.924 1.00 0.00 H new ATOM 0 HB2 PHE A 163 1.883 1.105 2.285 1.00 0.00 H new ATOM 0 HB3 PHE A 163 2.229 -0.508 1.694 1.00 0.00 H new ATOM 0 HD1 PHE A 163 3.286 2.148 4.029 1.00 0.00 H new ATOM 0 HD2 PHE A 163 4.082 -1.827 2.613 1.00 0.00 H new ATOM 0 HE1 PHE A 163 4.763 1.748 5.982 1.00 0.00 H new ATOM 0 HE2 PHE A 163 5.554 -2.230 4.566 1.00 0.00 H new ATOM 0 HZ PHE A 163 5.896 -0.442 6.252 1.00 0.00 H new ATOM 470 N ARG A 164 3.741 -0.052 -1.288 1.00 0.00 N ATOM 471 CA ARG A 164 3.258 -0.587 -2.594 1.00 0.00 C ATOM 472 C ARG A 164 3.493 -2.088 -2.632 1.00 0.00 C ATOM 473 O ARG A 164 4.388 -2.600 -1.984 1.00 0.00 O ATOM 474 CB ARG A 164 4.049 0.009 -3.762 1.00 0.00 C ATOM 475 CG ARG A 164 5.535 0.128 -3.403 1.00 0.00 C ATOM 476 CD ARG A 164 5.827 1.544 -2.917 1.00 0.00 C ATOM 477 NE ARG A 164 6.063 2.421 -4.093 1.00 0.00 N ATOM 478 CZ ARG A 164 6.983 3.339 -4.047 1.00 0.00 C ATOM 479 NH1 ARG A 164 6.894 4.299 -3.167 1.00 0.00 N ATOM 480 NH2 ARG A 164 7.985 3.298 -4.881 1.00 0.00 N ATOM 0 H ARG A 164 4.736 -0.188 -1.110 1.00 0.00 H new ATOM 0 HA ARG A 164 2.202 -0.333 -2.687 1.00 0.00 H new ATOM 0 HB2 ARG A 164 3.932 -0.619 -4.645 1.00 0.00 H new ATOM 0 HB3 ARG A 164 3.650 0.992 -4.014 1.00 0.00 H new ATOM 0 HG2 ARG A 164 5.792 -0.594 -2.628 1.00 0.00 H new ATOM 0 HG3 ARG A 164 6.150 -0.104 -4.272 1.00 0.00 H new ATOM 0 HD2 ARG A 164 4.990 1.920 -2.329 1.00 0.00 H new ATOM 0 HD3 ARG A 164 6.701 1.545 -2.265 1.00 0.00 H new ATOM 0 HE ARG A 164 5.503 2.303 -4.937 1.00 0.00 H new ATOM 0 HH11 ARG A 164 6.106 4.326 -2.520 1.00 0.00 H new ATOM 0 HH12 ARG A 164 7.613 5.022 -3.126 1.00 0.00 H new ATOM 0 HH21 ARG A 164 8.046 2.547 -5.568 1.00 0.00 H new ATOM 0 HH22 ARG A 164 8.707 4.017 -4.846 1.00 0.00 H new ATOM 494 N CYS A 165 2.724 -2.791 -3.418 1.00 0.00 N ATOM 495 CA CYS A 165 2.933 -4.247 -3.539 1.00 0.00 C ATOM 496 C CYS A 165 4.005 -4.463 -4.591 1.00 0.00 C ATOM 497 O CYS A 165 3.837 -4.051 -5.730 1.00 0.00 O ATOM 498 CB CYS A 165 1.673 -4.928 -4.036 1.00 0.00 C ATOM 499 SG CYS A 165 0.306 -4.765 -2.866 1.00 0.00 S ATOM 0 H CYS A 165 1.961 -2.412 -3.979 1.00 0.00 H new ATOM 0 HA CYS A 165 3.209 -4.656 -2.567 1.00 0.00 H new ATOM 0 HB2 CYS A 165 1.383 -4.498 -4.994 1.00 0.00 H new ATOM 0 HB3 CYS A 165 1.877 -5.985 -4.210 1.00 0.00 H new ATOM 0 HG CYS A 165 -0.815 -5.028 -3.469 1.00 0.00 H new ATOM 504 N GLN A 166 5.087 -5.101 -4.228 1.00 0.00 N ATOM 505 CA GLN A 166 6.179 -5.356 -5.209 1.00 0.00 C ATOM 506 C GLN A 166 5.810 -6.541 -6.116 1.00 0.00 C ATOM 507 O GLN A 166 6.537 -6.863 -7.038 1.00 0.00 O ATOM 508 CB GLN A 166 7.471 -5.682 -4.452 1.00 0.00 C ATOM 509 CG GLN A 166 8.314 -4.412 -4.302 1.00 0.00 C ATOM 510 CD GLN A 166 9.372 -4.366 -5.406 1.00 0.00 C ATOM 511 OE1 GLN A 166 10.521 -4.065 -5.151 1.00 0.00 O ATOM 512 NE2 GLN A 166 9.031 -4.660 -6.631 1.00 0.00 N ATOM 0 H GLN A 166 5.260 -5.458 -3.288 1.00 0.00 H new ATOM 0 HA GLN A 166 6.321 -4.467 -5.824 1.00 0.00 H new ATOM 0 HB2 GLN A 166 7.235 -6.092 -3.470 1.00 0.00 H new ATOM 0 HB3 GLN A 166 8.036 -6.444 -4.988 1.00 0.00 H new ATOM 0 HG2 GLN A 166 7.675 -3.530 -4.359 1.00 0.00 H new ATOM 0 HG3 GLN A 166 8.794 -4.395 -3.323 1.00 0.00 H new ATOM 0 HE21 GLN A 166 8.066 -4.913 -6.845 1.00 0.00 H new ATOM 0 HE22 GLN A 166 9.729 -4.637 -7.374 1.00 0.00 H new ATOM 521 N THR A 167 4.694 -7.193 -5.870 1.00 0.00 N ATOM 522 CA THR A 167 4.301 -8.346 -6.724 1.00 0.00 C ATOM 523 C THR A 167 3.013 -8.012 -7.478 1.00 0.00 C ATOM 524 O THR A 167 2.985 -8.055 -8.696 1.00 0.00 O ATOM 525 CB THR A 167 4.091 -9.579 -5.861 1.00 0.00 C ATOM 526 OG1 THR A 167 5.087 -9.623 -4.846 1.00 0.00 O ATOM 527 CG2 THR A 167 4.181 -10.834 -6.731 1.00 0.00 C ATOM 0 H THR A 167 4.045 -6.971 -5.115 1.00 0.00 H new ATOM 0 HA THR A 167 5.095 -8.548 -7.443 1.00 0.00 H new ATOM 0 HB THR A 167 3.106 -9.535 -5.396 1.00 0.00 H new ATOM 0 HG1 THR A 167 5.274 -10.556 -4.612 1.00 0.00 H new ATOM 0 HG21 THR A 167 4.030 -11.718 -6.111 1.00 0.00 H new ATOM 0 HG22 THR A 167 3.413 -10.797 -7.503 1.00 0.00 H new ATOM 0 HG23 THR A 167 5.164 -10.882 -7.199 1.00 0.00 H new ATOM 535 N CYS A 168 1.947 -7.671 -6.783 1.00 0.00 N ATOM 536 CA CYS A 168 0.686 -7.333 -7.506 1.00 0.00 C ATOM 537 C CYS A 168 0.820 -5.930 -8.125 1.00 0.00 C ATOM 538 O CYS A 168 0.119 -5.600 -9.066 1.00 0.00 O ATOM 539 CB CYS A 168 -0.554 -7.471 -6.578 1.00 0.00 C ATOM 540 SG CYS A 168 -0.771 -6.058 -5.452 1.00 0.00 S ATOM 0 H CYS A 168 1.901 -7.614 -5.766 1.00 0.00 H new ATOM 0 HA CYS A 168 0.525 -8.044 -8.316 1.00 0.00 H new ATOM 0 HB2 CYS A 168 -1.448 -7.578 -7.192 1.00 0.00 H new ATOM 0 HB3 CYS A 168 -0.459 -8.384 -5.990 1.00 0.00 H new ATOM 0 HG CYS A 168 -0.203 -6.320 -4.312 1.00 0.00 H new ATOM 545 N GLY A 169 1.731 -5.111 -7.631 1.00 0.00 N ATOM 546 CA GLY A 169 1.916 -3.761 -8.226 1.00 0.00 C ATOM 547 C GLY A 169 0.828 -2.836 -7.712 1.00 0.00 C ATOM 548 O GLY A 169 -0.071 -2.459 -8.441 1.00 0.00 O ATOM 0 H GLY A 169 2.345 -5.328 -6.846 1.00 0.00 H new ATOM 0 HA2 GLY A 169 2.898 -3.367 -7.965 1.00 0.00 H new ATOM 0 HA3 GLY A 169 1.875 -3.821 -9.314 1.00 0.00 H new ATOM 552 N TYR A 170 0.907 -2.462 -6.465 1.00 0.00 N ATOM 553 CA TYR A 170 -0.133 -1.544 -5.905 1.00 0.00 C ATOM 554 C TYR A 170 0.560 -0.315 -5.325 1.00 0.00 C ATOM 555 O TYR A 170 1.763 -0.302 -5.165 1.00 0.00 O ATOM 556 CB TYR A 170 -0.941 -2.264 -4.811 1.00 0.00 C ATOM 557 CG TYR A 170 -2.452 -2.156 -5.033 1.00 0.00 C ATOM 558 CD1 TYR A 170 -3.033 -1.093 -5.755 1.00 0.00 C ATOM 559 CD2 TYR A 170 -3.280 -3.144 -4.486 1.00 0.00 C ATOM 560 CE1 TYR A 170 -4.421 -1.033 -5.926 1.00 0.00 C ATOM 561 CE2 TYR A 170 -4.667 -3.081 -4.660 1.00 0.00 C ATOM 562 CZ TYR A 170 -5.238 -2.027 -5.379 1.00 0.00 C ATOM 563 OH TYR A 170 -6.606 -1.967 -5.549 1.00 0.00 O ATOM 0 H TYR A 170 1.637 -2.747 -5.813 1.00 0.00 H new ATOM 0 HA TYR A 170 -0.821 -1.240 -6.694 1.00 0.00 H new ATOM 0 HB2 TYR A 170 -0.655 -3.315 -4.785 1.00 0.00 H new ATOM 0 HB3 TYR A 170 -0.688 -1.841 -3.839 1.00 0.00 H new ATOM 0 HD1 TYR A 170 -2.405 -0.323 -6.177 1.00 0.00 H new ATOM 0 HD2 TYR A 170 -2.846 -3.959 -3.927 1.00 0.00 H new ATOM 0 HE1 TYR A 170 -4.861 -0.218 -6.481 1.00 0.00 H new ATOM 0 HE2 TYR A 170 -5.298 -3.849 -4.238 1.00 0.00 H new ATOM 0 HH TYR A 170 -7.025 -2.735 -5.107 1.00 0.00 H new ATOM 573 N LYS A 171 -0.186 0.715 -5.023 1.00 0.00 N ATOM 574 CA LYS A 171 0.423 1.958 -4.467 1.00 0.00 C ATOM 575 C LYS A 171 -0.598 2.604 -3.541 1.00 0.00 C ATOM 576 O LYS A 171 -1.647 3.031 -3.994 1.00 0.00 O ATOM 577 CB LYS A 171 0.783 2.958 -5.601 1.00 0.00 C ATOM 578 CG LYS A 171 0.036 2.647 -6.910 1.00 0.00 C ATOM 579 CD LYS A 171 0.897 1.738 -7.787 1.00 0.00 C ATOM 580 CE LYS A 171 0.628 2.047 -9.261 1.00 0.00 C ATOM 581 NZ LYS A 171 -0.777 1.678 -9.595 1.00 0.00 N ATOM 0 H LYS A 171 -1.199 0.748 -5.139 1.00 0.00 H new ATOM 0 HA LYS A 171 1.339 1.705 -3.933 1.00 0.00 H new ATOM 0 HB2 LYS A 171 0.542 3.971 -5.279 1.00 0.00 H new ATOM 0 HB3 LYS A 171 1.857 2.928 -5.782 1.00 0.00 H new ATOM 0 HG2 LYS A 171 -0.916 2.163 -6.691 1.00 0.00 H new ATOM 0 HG3 LYS A 171 -0.191 3.572 -7.440 1.00 0.00 H new ATOM 0 HD2 LYS A 171 1.952 1.889 -7.560 1.00 0.00 H new ATOM 0 HD3 LYS A 171 0.672 0.692 -7.577 1.00 0.00 H new ATOM 0 HE2 LYS A 171 0.794 3.106 -9.458 1.00 0.00 H new ATOM 0 HE3 LYS A 171 1.322 1.492 -9.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 -0.908 1.709 -10.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 -0.975 0.717 -9.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 -1.429 2.350 -9.142 1.00 0.00 H new ATOM 595 N PHE A 172 -0.329 2.680 -2.252 1.00 0.00 N ATOM 596 CA PHE A 172 -1.344 3.303 -1.361 1.00 0.00 C ATOM 597 C PHE A 172 -0.774 3.682 0.028 1.00 0.00 C ATOM 598 O PHE A 172 0.036 2.987 0.608 1.00 0.00 O ATOM 599 CB PHE A 172 -2.562 2.357 -1.305 1.00 0.00 C ATOM 600 CG PHE A 172 -2.431 1.248 -0.276 1.00 0.00 C ATOM 601 CD1 PHE A 172 -2.477 1.541 1.089 1.00 0.00 C ATOM 602 CD2 PHE A 172 -2.331 -0.081 -0.698 1.00 0.00 C ATOM 603 CE1 PHE A 172 -2.411 0.518 2.033 1.00 0.00 C ATOM 604 CE2 PHE A 172 -2.272 -1.110 0.248 1.00 0.00 C ATOM 605 CZ PHE A 172 -2.311 -0.811 1.615 1.00 0.00 C ATOM 0 H PHE A 172 0.522 2.347 -1.799 1.00 0.00 H new ATOM 0 HA PHE A 172 -1.662 4.263 -1.768 1.00 0.00 H new ATOM 0 HB2 PHE A 172 -3.455 2.942 -1.083 1.00 0.00 H new ATOM 0 HB3 PHE A 172 -2.709 1.911 -2.289 1.00 0.00 H new ATOM 0 HD1 PHE A 172 -2.564 2.567 1.415 1.00 0.00 H new ATOM 0 HD2 PHE A 172 -2.299 -0.313 -1.752 1.00 0.00 H new ATOM 0 HE1 PHE A 172 -2.437 0.753 3.087 1.00 0.00 H new ATOM 0 HE2 PHE A 172 -2.196 -2.137 -0.077 1.00 0.00 H new ATOM 0 HZ PHE A 172 -2.264 -1.606 2.345 1.00 0.00 H new ATOM 615 N HIS A 173 -1.203 4.827 0.521 1.00 0.00 N ATOM 616 CA HIS A 173 -0.727 5.378 1.849 1.00 0.00 C ATOM 617 C HIS A 173 -1.381 4.626 3.052 1.00 0.00 C ATOM 618 O HIS A 173 -1.527 3.424 3.027 1.00 0.00 O ATOM 619 CB HIS A 173 -1.086 6.881 1.951 1.00 0.00 C ATOM 620 CG HIS A 173 -1.114 7.574 0.644 1.00 0.00 C ATOM 621 ND1 HIS A 173 -2.263 7.611 -0.158 1.00 0.00 N ATOM 622 CD2 HIS A 173 -0.196 8.368 0.055 1.00 0.00 C ATOM 623 CE1 HIS A 173 -1.968 8.445 -1.167 1.00 0.00 C ATOM 624 NE2 HIS A 173 -0.721 8.923 -1.074 1.00 0.00 N ATOM 0 H HIS A 173 -1.883 5.422 0.047 1.00 0.00 H new ATOM 0 HA HIS A 173 0.353 5.238 1.895 1.00 0.00 H new ATOM 0 HB2 HIS A 173 -2.062 6.981 2.427 1.00 0.00 H new ATOM 0 HB3 HIS A 173 -0.363 7.375 2.599 1.00 0.00 H new ATOM 0 HD2 HIS A 173 0.805 8.538 0.423 1.00 0.00 H new ATOM 0 HE1 HIS A 173 -2.655 8.700 -1.960 1.00 0.00 H new ATOM 0 HE2 HIS A 173 -0.259 9.569 -1.715 1.00 0.00 H new ATOM 632 N GLU A 174 -1.766 5.330 4.121 1.00 0.00 N ATOM 633 CA GLU A 174 -2.397 4.665 5.302 1.00 0.00 C ATOM 634 C GLU A 174 -3.933 4.729 5.184 1.00 0.00 C ATOM 635 O GLU A 174 -4.639 4.002 5.857 1.00 0.00 O ATOM 636 CB GLU A 174 -1.958 5.380 6.579 1.00 0.00 C ATOM 637 CG GLU A 174 -0.486 5.071 6.859 1.00 0.00 C ATOM 638 CD GLU A 174 -0.053 5.782 8.142 1.00 0.00 C ATOM 639 OE1 GLU A 174 -0.706 5.585 9.154 1.00 0.00 O ATOM 640 OE2 GLU A 174 0.924 6.510 8.092 1.00 0.00 O ATOM 0 H GLU A 174 -1.662 6.341 4.209 1.00 0.00 H new ATOM 0 HA GLU A 174 -2.083 3.622 5.336 1.00 0.00 H new ATOM 0 HB2 GLU A 174 -2.101 6.455 6.473 1.00 0.00 H new ATOM 0 HB3 GLU A 174 -2.574 5.058 7.419 1.00 0.00 H new ATOM 0 HG2 GLU A 174 -0.342 3.995 6.960 1.00 0.00 H new ATOM 0 HG3 GLU A 174 0.131 5.399 6.022 1.00 0.00 H new ATOM 647 N HIS A 175 -4.458 5.570 4.313 1.00 0.00 N ATOM 648 CA HIS A 175 -5.946 5.657 4.122 1.00 0.00 C ATOM 649 C HIS A 175 -6.403 4.570 3.156 1.00 0.00 C ATOM 650 O HIS A 175 -7.452 4.686 2.544 1.00 0.00 O ATOM 651 CB HIS A 175 -6.286 6.979 3.440 1.00 0.00 C ATOM 652 CG HIS A 175 -6.150 8.118 4.414 1.00 0.00 C ATOM 653 ND1 HIS A 175 -4.946 8.391 5.084 1.00 0.00 N ATOM 654 CD2 HIS A 175 -7.046 9.063 4.846 1.00 0.00 C ATOM 655 CE1 HIS A 175 -5.174 9.462 5.865 1.00 0.00 C ATOM 656 NE2 HIS A 175 -6.435 9.898 5.748 1.00 0.00 N ATOM 0 H HIS A 175 -3.915 6.202 3.725 1.00 0.00 H new ATOM 0 HA HIS A 175 -6.424 5.560 5.097 1.00 0.00 H new ATOM 0 HB2 HIS A 175 -5.624 7.138 2.589 1.00 0.00 H new ATOM 0 HB3 HIS A 175 -7.303 6.944 3.050 1.00 0.00 H new ATOM 0 HD2 HIS A 175 -8.075 9.138 4.525 1.00 0.00 H new ATOM 0 HE1 HIS A 175 -4.432 9.914 6.507 1.00 0.00 H new ATOM 0 HE2 HIS A 175 -6.856 10.691 6.232 1.00 0.00 H new ATOM 664 N CYS A 176 -5.593 3.578 2.926 1.00 0.00 N ATOM 665 CA CYS A 176 -5.933 2.578 1.915 1.00 0.00 C ATOM 666 C CYS A 176 -5.500 1.186 2.377 1.00 0.00 C ATOM 667 O CYS A 176 -5.271 0.300 1.575 1.00 0.00 O ATOM 668 CB CYS A 176 -5.238 2.996 0.601 1.00 0.00 C ATOM 669 SG CYS A 176 -4.192 4.519 0.822 1.00 0.00 S ATOM 0 H CYS A 176 -4.706 3.427 3.406 1.00 0.00 H new ATOM 0 HA CYS A 176 -7.010 2.528 1.756 1.00 0.00 H new ATOM 0 HB2 CYS A 176 -4.615 2.176 0.244 1.00 0.00 H new ATOM 0 HB3 CYS A 176 -5.991 3.181 -0.165 1.00 0.00 H new ATOM 0 HG CYS A 176 -3.909 5.023 -0.342 1.00 0.00 H new ATOM 674 N SER A 177 -5.440 0.980 3.671 1.00 0.00 N ATOM 675 CA SER A 177 -5.084 -0.365 4.203 1.00 0.00 C ATOM 676 C SER A 177 -6.364 -1.197 4.190 1.00 0.00 C ATOM 677 O SER A 177 -6.367 -2.361 3.840 1.00 0.00 O ATOM 678 CB SER A 177 -4.564 -0.236 5.635 1.00 0.00 C ATOM 679 OG SER A 177 -4.519 -1.525 6.236 1.00 0.00 O ATOM 0 H SER A 177 -5.623 1.690 4.380 1.00 0.00 H new ATOM 0 HA SER A 177 -4.305 -0.832 3.600 1.00 0.00 H new ATOM 0 HB2 SER A 177 -3.571 0.213 5.635 1.00 0.00 H new ATOM 0 HB3 SER A 177 -5.212 0.424 6.211 1.00 0.00 H new ATOM 0 HG SER A 177 -4.185 -1.447 7.154 1.00 0.00 H new ATOM 685 N THR A 178 -7.459 -0.574 4.543 1.00 0.00 N ATOM 686 CA THR A 178 -8.774 -1.269 4.531 1.00 0.00 C ATOM 687 C THR A 178 -9.446 -0.957 3.194 1.00 0.00 C ATOM 688 O THR A 178 -9.021 -0.062 2.491 1.00 0.00 O ATOM 689 CB THR A 178 -9.644 -0.743 5.675 1.00 0.00 C ATOM 690 OG1 THR A 178 -9.595 0.677 5.688 1.00 0.00 O ATOM 691 CG2 THR A 178 -9.127 -1.285 7.009 1.00 0.00 C ATOM 0 H THR A 178 -7.494 0.400 4.843 1.00 0.00 H new ATOM 0 HA THR A 178 -8.643 -2.344 4.657 1.00 0.00 H new ATOM 0 HB THR A 178 -10.673 -1.073 5.529 1.00 0.00 H new ATOM 0 HG1 THR A 178 -10.153 1.017 6.419 1.00 0.00 H new ATOM 0 HG21 THR A 178 -9.749 -0.908 7.821 1.00 0.00 H new ATOM 0 HG22 THR A 178 -9.165 -2.374 6.998 1.00 0.00 H new ATOM 0 HG23 THR A 178 -8.098 -0.959 7.160 1.00 0.00 H new ATOM 699 N LYS A 179 -10.480 -1.691 2.836 1.00 0.00 N ATOM 700 CA LYS A 179 -11.205 -1.469 1.530 1.00 0.00 C ATOM 701 C LYS A 179 -10.476 -2.202 0.390 1.00 0.00 C ATOM 702 O LYS A 179 -11.105 -2.848 -0.427 1.00 0.00 O ATOM 703 CB LYS A 179 -11.334 0.028 1.192 1.00 0.00 C ATOM 704 CG LYS A 179 -12.605 0.263 0.368 1.00 0.00 C ATOM 705 CD LYS A 179 -13.278 1.564 0.819 1.00 0.00 C ATOM 706 CE LYS A 179 -14.312 1.992 -0.223 1.00 0.00 C ATOM 707 NZ LYS A 179 -15.434 1.011 -0.245 1.00 0.00 N ATOM 0 H LYS A 179 -10.861 -2.449 3.403 1.00 0.00 H new ATOM 0 HA LYS A 179 -12.212 -1.872 1.640 1.00 0.00 H new ATOM 0 HB2 LYS A 179 -11.369 0.616 2.109 1.00 0.00 H new ATOM 0 HB3 LYS A 179 -10.460 0.361 0.633 1.00 0.00 H new ATOM 0 HG2 LYS A 179 -12.358 0.318 -0.692 1.00 0.00 H new ATOM 0 HG3 LYS A 179 -13.291 -0.575 0.492 1.00 0.00 H new ATOM 0 HD2 LYS A 179 -13.759 1.420 1.786 1.00 0.00 H new ATOM 0 HD3 LYS A 179 -12.530 2.347 0.948 1.00 0.00 H new ATOM 0 HE2 LYS A 179 -14.690 2.987 0.012 1.00 0.00 H new ATOM 0 HE3 LYS A 179 -13.848 2.052 -1.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 179 -16.205 1.378 -0.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 179 -15.098 0.107 -0.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 179 -15.784 0.862 0.723 1.00 0.00 H new ATOM 721 N VAL A 180 -9.159 -2.131 0.329 1.00 0.00 N ATOM 722 CA VAL A 180 -8.401 -2.845 -0.750 1.00 0.00 C ATOM 723 C VAL A 180 -8.822 -4.333 -0.737 1.00 0.00 C ATOM 724 O VAL A 180 -9.039 -4.880 0.326 1.00 0.00 O ATOM 725 CB VAL A 180 -6.889 -2.690 -0.470 1.00 0.00 C ATOM 726 CG1 VAL A 180 -6.528 -3.320 0.876 1.00 0.00 C ATOM 727 CG2 VAL A 180 -6.065 -3.359 -1.572 1.00 0.00 C ATOM 0 H VAL A 180 -8.579 -1.607 0.984 1.00 0.00 H new ATOM 0 HA VAL A 180 -8.618 -2.428 -1.733 1.00 0.00 H new ATOM 0 HB VAL A 180 -6.660 -1.625 -0.446 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -5.460 -3.202 1.058 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -7.088 -2.827 1.670 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -6.779 -4.381 0.860 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -5.003 -3.239 -1.356 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -6.309 -4.421 -1.615 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -6.295 -2.895 -2.531 1.00 0.00 H new