USER MOD reduce.3.24.130724 H: found=0, std=0, add=319, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 310 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 161 CYS SG : rot -145:sc= -0.906 USER MOD Set 1.2: A 164 CYS SG : rot -104:sc= -3.48! USER MOD Set 1.3: A 169 HIS : no HD1:sc= -2.25! K(o=-6.1!,f=-7.9) USER MOD Set 1.4: A 174 CYS SG : rot -148:sc= 0.547 USER MOD Set 2.1: A 140 TYR OH : rot 180:sc= -0.0114 USER MOD Set 2.2: A 162 HIS : no HD1:sc= -6.53! C(o=-6.5!,f=-8.3!) USER MOD Set 3.1: A 139 CYS SG : rot 166:sc= -2.29 USER MOD Set 3.2: A 142 CYS SG : rot -47:sc= -0.765 USER MOD Set 3.3: A 147 HIS : no HE2:sc= -1.77 X(o=-4.6,f=-5.1) USER MOD Set 3.4: A 152 CYS SG : rot 88:sc= 0.235 USER MOD Single : A 141 ASN : amide:sc= 0.0961 K(o=0.096,f=-2.5!) USER MOD Single : A 148 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 157 GLN :FLIP amide:sc= -0.893 F(o=-1.7!,f=-0.89) USER MOD Single : A 159 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 166 SER OG : rot 180:sc= -0.0853 USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD Single : A 170 MET CE :methyl -150:sc= -1.38 (180deg=-3.55!) USER MOD Single : A 173 SER OG : rot 180:sc= 0 USER MOD Single : A 177 LYS NZ :NH3+ -158:sc= -2.16! (180deg=-3.41!) USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 137 -12.032 2.122 -4.588 1.00 0.00 N ATOM 67 CA ASP A 137 -13.085 3.104 -4.817 1.00 0.00 C ATOM 68 C ASP A 137 -12.784 4.406 -4.081 1.00 0.00 C ATOM 69 O ASP A 137 -12.901 5.493 -4.648 1.00 0.00 O ATOM 70 CB ASP A 137 -14.436 2.549 -4.365 1.00 0.00 C ATOM 71 CG ASP A 137 -15.592 3.110 -5.171 1.00 0.00 C ATOM 72 OD1 ASP A 137 -15.461 4.238 -5.691 1.00 0.00 O ATOM 73 OD2 ASP A 137 -16.626 2.420 -5.283 1.00 0.00 O ATOM 0 HA ASP A 137 -13.126 3.313 -5.886 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -14.428 1.463 -4.455 1.00 0.00 H new ATOM 0 HB3 ASP A 137 -14.586 2.780 -3.310 1.00 0.00 H new ATOM 78 N ARG A 138 -12.396 4.288 -2.816 1.00 0.00 N ATOM 79 CA ARG A 138 -12.080 5.456 -2.001 1.00 0.00 C ATOM 80 C ARG A 138 -10.650 5.381 -1.475 1.00 0.00 C ATOM 81 O ARG A 138 -10.148 4.301 -1.161 1.00 0.00 O ATOM 82 CB ARG A 138 -13.060 5.568 -0.832 1.00 0.00 C ATOM 83 CG ARG A 138 -14.331 6.329 -1.173 1.00 0.00 C ATOM 84 CD ARG A 138 -15.486 5.914 -0.276 1.00 0.00 C ATOM 85 NE ARG A 138 -15.942 4.557 -0.564 1.00 0.00 N ATOM 86 CZ ARG A 138 -15.519 3.485 0.096 1.00 0.00 C ATOM 87 NH1 ARG A 138 -14.636 3.611 1.077 1.00 0.00 N ATOM 88 NH2 ARG A 138 -15.980 2.282 -0.223 1.00 0.00 N ATOM 0 H ARG A 138 -12.293 3.396 -2.332 1.00 0.00 H new ATOM 0 HA ARG A 138 -12.171 6.342 -2.629 1.00 0.00 H new ATOM 0 HB2 ARG A 138 -13.326 4.566 -0.495 1.00 0.00 H new ATOM 0 HB3 ARG A 138 -12.563 6.064 0.002 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -14.154 7.400 -1.069 1.00 0.00 H new ATOM 0 HG3 ARG A 138 -14.595 6.149 -2.215 1.00 0.00 H new ATOM 0 HD2 ARG A 138 -15.176 5.979 0.767 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -16.315 6.610 -0.406 1.00 0.00 H new ATOM 0 HE ARG A 138 -16.622 4.425 -1.313 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -14.279 4.533 1.327 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -14.313 2.786 1.582 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -16.660 2.180 -0.976 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -15.654 1.460 0.285 1.00 0.00 H new ATOM 102 N CYS A 139 -9.998 6.535 -1.382 1.00 0.00 N ATOM 103 CA CYS A 139 -8.625 6.601 -0.896 1.00 0.00 C ATOM 104 C CYS A 139 -8.473 5.826 0.410 1.00 0.00 C ATOM 105 O CYS A 139 -8.988 6.235 1.451 1.00 0.00 O ATOM 106 CB CYS A 139 -8.205 8.058 -0.688 1.00 0.00 C ATOM 107 SG CYS A 139 -6.689 8.261 0.301 1.00 0.00 S ATOM 0 H CYS A 139 -10.399 7.438 -1.637 1.00 0.00 H new ATOM 0 HA CYS A 139 -7.978 6.146 -1.646 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -8.056 8.524 -1.662 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -9.019 8.593 -0.199 1.00 0.00 H new ATOM 0 HG CYS A 139 -6.245 9.476 0.170 1.00 0.00 H new ATOM 112 N TYR A 140 -7.762 4.706 0.346 1.00 0.00 N ATOM 113 CA TYR A 140 -7.543 3.872 1.522 1.00 0.00 C ATOM 114 C TYR A 140 -6.425 4.438 2.391 1.00 0.00 C ATOM 115 O TYR A 140 -5.570 3.701 2.881 1.00 0.00 O ATOM 116 CB TYR A 140 -7.203 2.441 1.102 1.00 0.00 C ATOM 117 CG TYR A 140 -5.761 2.259 0.686 1.00 0.00 C ATOM 118 CD1 TYR A 140 -5.311 2.709 -0.550 1.00 0.00 C ATOM 119 CD2 TYR A 140 -4.847 1.638 1.528 1.00 0.00 C ATOM 120 CE1 TYR A 140 -3.995 2.544 -0.934 1.00 0.00 C ATOM 121 CE2 TYR A 140 -3.528 1.470 1.153 1.00 0.00 C ATOM 122 CZ TYR A 140 -3.107 1.924 -0.080 1.00 0.00 C ATOM 123 OH TYR A 140 -1.795 1.759 -0.459 1.00 0.00 O ATOM 0 H TYR A 140 -7.328 4.355 -0.507 1.00 0.00 H new ATOM 0 HA TYR A 140 -8.463 3.863 2.106 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -7.421 1.767 1.930 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -7.851 2.150 0.275 1.00 0.00 H new ATOM 0 HD1 TYR A 140 -6.003 3.196 -1.221 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -5.174 1.280 2.493 1.00 0.00 H new ATOM 0 HE1 TYR A 140 -3.663 2.899 -1.898 1.00 0.00 H new ATOM 0 HE2 TYR A 140 -2.831 0.986 1.821 1.00 0.00 H new ATOM 0 HH TYR A 140 -1.302 1.305 0.257 1.00 0.00 H new ATOM 133 N ASN A 141 -6.438 5.754 2.578 1.00 0.00 N ATOM 134 CA ASN A 141 -5.426 6.421 3.389 1.00 0.00 C ATOM 135 C ASN A 141 -6.068 7.415 4.352 1.00 0.00 C ATOM 136 O ASN A 141 -5.959 7.274 5.571 1.00 0.00 O ATOM 137 CB ASN A 141 -4.419 7.143 2.491 1.00 0.00 C ATOM 138 CG ASN A 141 -3.135 7.486 3.221 1.00 0.00 C ATOM 139 OD1 ASN A 141 -3.153 7.830 4.403 1.00 0.00 O ATOM 140 ND2 ASN A 141 -2.011 7.392 2.519 1.00 0.00 N ATOM 0 H ASN A 141 -7.138 6.379 2.179 1.00 0.00 H new ATOM 0 HA ASN A 141 -4.905 5.662 3.972 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -4.188 6.515 1.631 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -4.870 8.057 2.106 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -1.116 7.609 2.958 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -2.043 7.103 1.541 1.00 0.00 H new ATOM 147 N CYS A 142 -6.738 8.419 3.798 1.00 0.00 N ATOM 148 CA CYS A 142 -7.399 9.437 4.606 1.00 0.00 C ATOM 149 C CYS A 142 -8.911 9.396 4.403 1.00 0.00 C ATOM 150 O CYS A 142 -9.679 9.488 5.359 1.00 0.00 O ATOM 151 CB CYS A 142 -6.863 10.826 4.254 1.00 0.00 C ATOM 152 SG CYS A 142 -7.357 11.416 2.603 1.00 0.00 S ATOM 0 H CYS A 142 -6.838 8.550 2.791 1.00 0.00 H new ATOM 0 HA CYS A 142 -7.185 9.228 5.654 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -7.211 11.538 5.002 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -5.775 10.809 4.312 1.00 0.00 H new ATOM 0 HG CYS A 142 -7.166 10.472 1.730 1.00 0.00 H new ATOM 157 N GLY A 143 -9.330 9.258 3.149 1.00 0.00 N ATOM 158 CA GLY A 143 -10.748 9.208 2.842 1.00 0.00 C ATOM 159 C GLY A 143 -11.182 10.332 1.922 1.00 0.00 C ATOM 160 O GLY A 143 -12.240 10.930 2.117 1.00 0.00 O ATOM 0 H GLY A 143 -8.713 9.180 2.340 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -10.982 8.251 2.376 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -11.319 9.260 3.769 1.00 0.00 H new ATOM 164 N GLY A 144 -10.362 10.622 0.916 1.00 0.00 N ATOM 165 CA GLY A 144 -10.684 11.682 -0.021 1.00 0.00 C ATOM 166 C GLY A 144 -11.481 11.183 -1.210 1.00 0.00 C ATOM 167 O GLY A 144 -11.221 10.097 -1.729 1.00 0.00 O ATOM 0 H GLY A 144 -9.481 10.142 0.734 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -11.252 12.457 0.493 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -9.762 12.143 -0.374 1.00 0.00 H new ATOM 171 N LEU A 145 -12.455 11.976 -1.642 1.00 0.00 N ATOM 172 CA LEU A 145 -13.294 11.608 -2.777 1.00 0.00 C ATOM 173 C LEU A 145 -12.792 12.263 -4.060 1.00 0.00 C ATOM 174 O LEU A 145 -12.766 11.637 -5.120 1.00 0.00 O ATOM 175 CB LEU A 145 -14.745 12.016 -2.517 1.00 0.00 C ATOM 176 CG LEU A 145 -15.501 11.181 -1.482 1.00 0.00 C ATOM 177 CD1 LEU A 145 -16.803 11.865 -1.093 1.00 0.00 C ATOM 178 CD2 LEU A 145 -15.770 9.783 -2.018 1.00 0.00 C ATOM 0 H LEU A 145 -12.683 12.878 -1.224 1.00 0.00 H new ATOM 0 HA LEU A 145 -13.243 10.526 -2.899 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -14.757 13.057 -2.194 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -15.289 11.969 -3.460 1.00 0.00 H new ATOM 0 HG LEU A 145 -14.880 11.093 -0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -17.327 11.257 -0.356 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -16.586 12.845 -0.667 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -17.430 11.984 -1.977 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -16.309 9.203 -1.268 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -16.371 9.850 -2.925 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -14.824 9.292 -2.245 1.00 0.00 H new ATOM 190 N ASP A 146 -12.393 13.526 -3.957 1.00 0.00 N ATOM 191 CA ASP A 146 -11.889 14.266 -5.108 1.00 0.00 C ATOM 192 C ASP A 146 -10.593 13.649 -5.625 1.00 0.00 C ATOM 193 O ASP A 146 -10.441 13.409 -6.823 1.00 0.00 O ATOM 194 CB ASP A 146 -11.659 15.732 -4.738 1.00 0.00 C ATOM 195 CG ASP A 146 -10.806 15.889 -3.495 1.00 0.00 C ATOM 196 OD1 ASP A 146 -11.302 15.576 -2.392 1.00 0.00 O ATOM 197 OD2 ASP A 146 -9.643 16.324 -3.624 1.00 0.00 O ATOM 0 H ASP A 146 -12.409 14.059 -3.088 1.00 0.00 H new ATOM 0 HA ASP A 146 -12.637 14.213 -5.899 1.00 0.00 H new ATOM 0 HB2 ASP A 146 -11.178 16.243 -5.572 1.00 0.00 H new ATOM 0 HB3 ASP A 146 -12.621 16.219 -4.578 1.00 0.00 H new ATOM 202 N HIS A 147 -9.659 13.395 -4.713 1.00 0.00 N ATOM 203 CA HIS A 147 -8.375 12.807 -5.076 1.00 0.00 C ATOM 204 C HIS A 147 -8.383 11.299 -4.842 1.00 0.00 C ATOM 205 O HIS A 147 -9.180 10.786 -4.056 1.00 0.00 O ATOM 206 CB HIS A 147 -7.248 13.454 -4.271 1.00 0.00 C ATOM 207 CG HIS A 147 -7.138 12.935 -2.871 1.00 0.00 C ATOM 208 ND1 HIS A 147 -7.665 13.594 -1.780 1.00 0.00 N ATOM 209 CD2 HIS A 147 -6.557 11.812 -2.386 1.00 0.00 C ATOM 210 CE1 HIS A 147 -7.413 12.900 -0.685 1.00 0.00 C ATOM 211 NE2 HIS A 147 -6.742 11.814 -1.025 1.00 0.00 N ATOM 0 H HIS A 147 -9.768 13.587 -3.717 1.00 0.00 H new ATOM 0 HA HIS A 147 -8.205 12.992 -6.137 1.00 0.00 H new ATOM 0 HB2 HIS A 147 -6.302 13.288 -4.787 1.00 0.00 H new ATOM 0 HB3 HIS A 147 -7.408 14.532 -4.239 1.00 0.00 H new ATOM 0 HD1 HIS A 147 -8.171 14.479 -1.814 1.00 0.00 H new ATOM 0 HD2 HIS A 147 -6.044 11.056 -2.962 1.00 0.00 H new ATOM 0 HE1 HIS A 147 -7.706 13.174 0.318 1.00 0.00 H new ATOM 219 N HIS A 148 -7.491 10.594 -5.531 1.00 0.00 N ATOM 220 CA HIS A 148 -7.396 9.144 -5.398 1.00 0.00 C ATOM 221 C HIS A 148 -6.239 8.758 -4.482 1.00 0.00 C ATOM 222 O HIS A 148 -5.232 9.462 -4.406 1.00 0.00 O ATOM 223 CB HIS A 148 -7.212 8.496 -6.771 1.00 0.00 C ATOM 224 CG HIS A 148 -8.408 8.633 -7.662 1.00 0.00 C ATOM 225 ND1 HIS A 148 -9.533 7.845 -7.539 1.00 0.00 N ATOM 226 CD2 HIS A 148 -8.651 9.474 -8.695 1.00 0.00 C ATOM 227 CE1 HIS A 148 -10.415 8.195 -8.458 1.00 0.00 C ATOM 228 NE2 HIS A 148 -9.905 9.182 -9.172 1.00 0.00 N ATOM 0 H HIS A 148 -6.824 11.002 -6.186 1.00 0.00 H new ATOM 0 HA HIS A 148 -8.324 8.783 -4.955 1.00 0.00 H new ATOM 0 HB2 HIS A 148 -6.349 8.945 -7.263 1.00 0.00 H new ATOM 0 HB3 HIS A 148 -6.988 7.438 -6.637 1.00 0.00 H new ATOM 0 HD2 HIS A 148 -7.983 10.233 -9.073 1.00 0.00 H new ATOM 0 HE1 HIS A 148 -11.388 7.749 -8.601 1.00 0.00 H new ATOM 0 HE2 HIS A 148 -10.367 9.651 -9.951 1.00 0.00 H new ATOM 236 N ALA A 149 -6.391 7.636 -3.786 1.00 0.00 N ATOM 237 CA ALA A 149 -5.359 7.156 -2.875 1.00 0.00 C ATOM 238 C ALA A 149 -3.968 7.361 -3.465 1.00 0.00 C ATOM 239 O ALA A 149 -3.046 7.795 -2.773 1.00 0.00 O ATOM 240 CB ALA A 149 -5.584 5.687 -2.549 1.00 0.00 C ATOM 0 H ALA A 149 -7.219 7.042 -3.836 1.00 0.00 H new ATOM 0 HA ALA A 149 -5.424 7.735 -1.954 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -4.806 5.342 -1.868 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -6.559 5.564 -2.078 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -5.548 5.101 -3.467 1.00 0.00 H new ATOM 246 N LYS A 150 -3.821 7.046 -4.748 1.00 0.00 N ATOM 247 CA LYS A 150 -2.543 7.196 -5.432 1.00 0.00 C ATOM 248 C LYS A 150 -2.102 8.656 -5.447 1.00 0.00 C ATOM 249 O LYS A 150 -0.947 8.968 -5.158 1.00 0.00 O ATOM 250 CB LYS A 150 -2.642 6.668 -6.865 1.00 0.00 C ATOM 251 CG LYS A 150 -1.296 6.509 -7.550 1.00 0.00 C ATOM 252 CD LYS A 150 -1.455 6.103 -9.005 1.00 0.00 C ATOM 253 CE LYS A 150 -1.634 4.600 -9.148 1.00 0.00 C ATOM 254 NZ LYS A 150 -2.147 4.228 -10.496 1.00 0.00 N ATOM 0 H LYS A 150 -4.573 6.685 -5.335 1.00 0.00 H new ATOM 0 HA LYS A 150 -1.798 6.615 -4.888 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -3.150 5.704 -6.853 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -3.260 7.347 -7.451 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -0.744 7.447 -7.491 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -0.706 5.758 -7.024 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -2.316 6.615 -9.435 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -0.579 6.422 -9.570 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -0.680 4.102 -8.972 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -2.325 4.242 -8.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -2.255 3.195 -10.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -3.069 4.682 -10.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -1.475 4.546 -11.223 1.00 0.00 H new ATOM 268 N GLU A 151 -3.030 9.546 -5.785 1.00 0.00 N ATOM 269 CA GLU A 151 -2.735 10.974 -5.836 1.00 0.00 C ATOM 270 C GLU A 151 -2.425 11.516 -4.444 1.00 0.00 C ATOM 271 O GLU A 151 -1.502 12.311 -4.266 1.00 0.00 O ATOM 272 CB GLU A 151 -3.913 11.739 -6.443 1.00 0.00 C ATOM 273 CG GLU A 151 -4.171 11.402 -7.902 1.00 0.00 C ATOM 274 CD GLU A 151 -2.947 11.606 -8.773 1.00 0.00 C ATOM 275 OE1 GLU A 151 -2.186 12.560 -8.511 1.00 0.00 O ATOM 276 OE2 GLU A 151 -2.751 10.812 -9.717 1.00 0.00 O ATOM 0 H GLU A 151 -3.991 9.304 -6.027 1.00 0.00 H new ATOM 0 HA GLU A 151 -1.856 11.115 -6.465 1.00 0.00 H new ATOM 0 HB2 GLU A 151 -4.812 11.524 -5.865 1.00 0.00 H new ATOM 0 HB3 GLU A 151 -3.725 12.809 -6.354 1.00 0.00 H new ATOM 0 HG2 GLU A 151 -4.498 10.365 -7.979 1.00 0.00 H new ATOM 0 HG3 GLU A 151 -4.986 12.022 -8.276 1.00 0.00 H new ATOM 283 N CYS A 152 -3.203 11.080 -3.459 1.00 0.00 N ATOM 284 CA CYS A 152 -3.015 11.521 -2.082 1.00 0.00 C ATOM 285 C CYS A 152 -1.537 11.759 -1.785 1.00 0.00 C ATOM 286 O CYS A 152 -0.664 11.106 -2.357 1.00 0.00 O ATOM 287 CB CYS A 152 -3.581 10.483 -1.110 1.00 0.00 C ATOM 288 SG CYS A 152 -3.935 11.138 0.552 1.00 0.00 S ATOM 0 H CYS A 152 -3.971 10.421 -3.589 1.00 0.00 H new ATOM 0 HA CYS A 152 -3.551 12.461 -1.951 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -4.499 10.070 -1.529 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -2.872 9.659 -1.021 1.00 0.00 H new ATOM 0 HG CYS A 152 -5.141 11.623 0.580 1.00 0.00 H new ATOM 293 N LYS A 153 -1.264 12.699 -0.887 1.00 0.00 N ATOM 294 CA LYS A 153 0.107 13.024 -0.511 1.00 0.00 C ATOM 295 C LYS A 153 0.483 12.354 0.807 1.00 0.00 C ATOM 296 O LYS A 153 1.604 11.869 0.971 1.00 0.00 O ATOM 297 CB LYS A 153 0.279 14.540 -0.393 1.00 0.00 C ATOM 298 CG LYS A 153 0.098 15.277 -1.708 1.00 0.00 C ATOM 299 CD LYS A 153 -0.039 16.775 -1.494 1.00 0.00 C ATOM 300 CE LYS A 153 0.118 17.542 -2.798 1.00 0.00 C ATOM 301 NZ LYS A 153 -0.547 18.873 -2.742 1.00 0.00 N ATOM 0 H LYS A 153 -1.975 13.250 -0.405 1.00 0.00 H new ATOM 0 HA LYS A 153 0.770 12.649 -1.291 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -0.440 14.924 0.331 1.00 0.00 H new ATOM 0 HB3 LYS A 153 1.273 14.755 0.000 1.00 0.00 H new ATOM 0 HG2 LYS A 153 0.950 15.078 -2.358 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -0.788 14.899 -2.219 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -1.014 16.993 -1.058 1.00 0.00 H new ATOM 0 HD3 LYS A 153 0.713 17.112 -0.780 1.00 0.00 H new ATOM 0 HE2 LYS A 153 1.178 17.674 -3.016 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -0.305 16.959 -3.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -0.417 19.364 -3.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -1.563 18.746 -2.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -0.126 19.440 -1.978 1.00 0.00 H new ATOM 315 N LEU A 154 -0.459 12.330 1.743 1.00 0.00 N ATOM 316 CA LEU A 154 -0.227 11.718 3.047 1.00 0.00 C ATOM 317 C LEU A 154 0.624 10.459 2.914 1.00 0.00 C ATOM 318 O LEU A 154 0.690 9.834 1.855 1.00 0.00 O ATOM 319 CB LEU A 154 -1.559 11.378 3.717 1.00 0.00 C ATOM 320 CG LEU A 154 -2.300 12.546 4.369 1.00 0.00 C ATOM 321 CD1 LEU A 154 -3.723 12.144 4.724 1.00 0.00 C ATOM 322 CD2 LEU A 154 -1.555 13.025 5.607 1.00 0.00 C ATOM 0 H LEU A 154 -1.391 12.727 1.624 1.00 0.00 H new ATOM 0 HA LEU A 154 0.312 12.435 3.666 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -2.214 10.930 2.970 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -1.377 10.619 4.478 1.00 0.00 H new ATOM 0 HG LEU A 154 -2.344 13.368 3.654 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -4.235 12.988 5.187 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -4.254 11.849 3.819 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -3.701 11.306 5.421 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -2.096 13.856 6.058 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -1.480 12.208 6.325 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -0.555 13.354 5.325 1.00 0.00 H new ATOM 334 N PRO A 155 1.291 10.076 4.013 1.00 0.00 N ATOM 335 CA PRO A 155 2.148 8.888 4.045 1.00 0.00 C ATOM 336 C PRO A 155 1.346 7.593 3.961 1.00 0.00 C ATOM 337 O PRO A 155 0.256 7.472 4.520 1.00 0.00 O ATOM 338 CB PRO A 155 2.851 8.994 5.401 1.00 0.00 C ATOM 339 CG PRO A 155 1.928 9.805 6.243 1.00 0.00 C ATOM 340 CD PRO A 155 1.258 10.774 5.309 1.00 0.00 C ATOM 0 HA PRO A 155 2.831 8.855 3.197 1.00 0.00 H new ATOM 0 HB2 PRO A 155 3.022 8.009 5.836 1.00 0.00 H new ATOM 0 HB3 PRO A 155 3.825 9.474 5.306 1.00 0.00 H new ATOM 0 HG2 PRO A 155 1.194 9.170 6.739 1.00 0.00 H new ATOM 0 HG3 PRO A 155 2.475 10.332 7.025 1.00 0.00 H new ATOM 0 HD2 PRO A 155 0.237 10.993 5.622 1.00 0.00 H new ATOM 0 HD3 PRO A 155 1.789 11.725 5.267 1.00 0.00 H new ATOM 348 N PRO A 156 1.897 6.600 3.247 1.00 0.00 N ATOM 349 CA PRO A 156 1.251 5.296 3.073 1.00 0.00 C ATOM 350 C PRO A 156 1.226 4.485 4.365 1.00 0.00 C ATOM 351 O PRO A 156 2.270 4.212 4.956 1.00 0.00 O ATOM 352 CB PRO A 156 2.124 4.604 2.024 1.00 0.00 C ATOM 353 CG PRO A 156 3.460 5.248 2.158 1.00 0.00 C ATOM 354 CD PRO A 156 3.194 6.675 2.553 1.00 0.00 C ATOM 0 HA PRO A 156 0.206 5.395 2.779 1.00 0.00 H new ATOM 0 HB2 PRO A 156 2.182 3.530 2.203 1.00 0.00 H new ATOM 0 HB3 PRO A 156 1.719 4.738 1.021 1.00 0.00 H new ATOM 0 HG2 PRO A 156 4.064 4.741 2.910 1.00 0.00 H new ATOM 0 HG3 PRO A 156 4.013 5.199 1.220 1.00 0.00 H new ATOM 0 HD2 PRO A 156 3.976 7.064 3.204 1.00 0.00 H new ATOM 0 HD3 PRO A 156 3.147 7.331 1.684 1.00 0.00 H new ATOM 362 N GLN A 157 0.028 4.104 4.796 1.00 0.00 N ATOM 363 CA GLN A 157 -0.131 3.324 6.018 1.00 0.00 C ATOM 364 C GLN A 157 0.336 1.887 5.811 1.00 0.00 C ATOM 365 O GLN A 157 0.403 1.386 4.689 1.00 0.00 O ATOM 366 CB GLN A 157 -1.592 3.338 6.470 1.00 0.00 C ATOM 367 CG GLN A 157 -1.983 4.599 7.223 1.00 0.00 C ATOM 368 CD GLN A 157 -3.470 4.888 7.146 1.00 0.00 C ATOM 369 OE1 GLN A 157 -3.939 5.264 5.962 1.00 0.00 O flip ATOM 370 NE2 GLN A 157 -4.189 4.774 8.138 1.00 0.00 N flip ATOM 0 H GLN A 157 -0.846 4.322 4.318 1.00 0.00 H new ATOM 0 HA GLN A 157 0.486 3.779 6.793 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -2.235 3.232 5.596 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -1.775 2.473 7.107 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -1.690 4.499 8.268 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -1.431 5.446 6.817 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -3.787 4.482 9.029 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -5.187 4.971 8.070 1.00 0.00 H new ATOM 379 N PRO A 158 0.669 1.208 6.919 1.00 0.00 N ATOM 380 CA PRO A 158 1.135 -0.182 6.885 1.00 0.00 C ATOM 381 C PRO A 158 0.027 -1.156 6.501 1.00 0.00 C ATOM 382 O PRO A 158 0.179 -2.370 6.638 1.00 0.00 O ATOM 383 CB PRO A 158 1.597 -0.436 8.322 1.00 0.00 C ATOM 384 CG PRO A 158 0.812 0.524 9.147 1.00 0.00 C ATOM 385 CD PRO A 158 0.614 1.743 8.289 1.00 0.00 C ATOM 0 HA PRO A 158 1.915 -0.332 6.139 1.00 0.00 H new ATOM 0 HB2 PRO A 158 1.405 -1.466 8.623 1.00 0.00 H new ATOM 0 HB3 PRO A 158 2.668 -0.266 8.429 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -0.146 0.094 9.441 1.00 0.00 H new ATOM 0 HG3 PRO A 158 1.344 0.775 10.065 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -0.341 2.227 8.493 1.00 0.00 H new ATOM 0 HD3 PRO A 158 1.392 2.487 8.462 1.00 0.00 H new ATOM 393 N LYS A 159 -1.088 -0.617 6.019 1.00 0.00 N ATOM 394 CA LYS A 159 -2.222 -1.439 5.614 1.00 0.00 C ATOM 395 C LYS A 159 -1.782 -2.536 4.649 1.00 0.00 C ATOM 396 O LYS A 159 -0.591 -2.702 4.383 1.00 0.00 O ATOM 397 CB LYS A 159 -3.298 -0.570 4.958 1.00 0.00 C ATOM 398 CG LYS A 159 -3.813 0.541 5.856 1.00 0.00 C ATOM 399 CD LYS A 159 -5.072 0.123 6.597 1.00 0.00 C ATOM 400 CE LYS A 159 -4.744 -0.497 7.947 1.00 0.00 C ATOM 401 NZ LYS A 159 -4.413 0.538 8.966 1.00 0.00 N ATOM 0 H LYS A 159 -1.230 0.386 5.899 1.00 0.00 H new ATOM 0 HA LYS A 159 -2.636 -1.909 6.506 1.00 0.00 H new ATOM 0 HB2 LYS A 159 -2.893 -0.131 4.047 1.00 0.00 H new ATOM 0 HB3 LYS A 159 -4.134 -1.203 4.662 1.00 0.00 H new ATOM 0 HG2 LYS A 159 -3.041 0.816 6.575 1.00 0.00 H new ATOM 0 HG3 LYS A 159 -4.020 1.427 5.257 1.00 0.00 H new ATOM 0 HD2 LYS A 159 -5.716 0.991 6.741 1.00 0.00 H new ATOM 0 HD3 LYS A 159 -5.631 -0.592 5.993 1.00 0.00 H new ATOM 0 HE2 LYS A 159 -5.593 -1.088 8.291 1.00 0.00 H new ATOM 0 HE3 LYS A 159 -3.903 -1.181 7.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 -4.195 0.076 9.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -3.587 1.085 8.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 -5.225 1.176 9.089 1.00 0.00 H new ATOM 415 N LYS A 160 -2.750 -3.282 4.127 1.00 0.00 N ATOM 416 CA LYS A 160 -2.463 -4.361 3.190 1.00 0.00 C ATOM 417 C LYS A 160 -2.531 -3.863 1.750 1.00 0.00 C ATOM 418 O LYS A 160 -3.461 -3.150 1.372 1.00 0.00 O ATOM 419 CB LYS A 160 -3.451 -5.513 3.389 1.00 0.00 C ATOM 420 CG LYS A 160 -3.449 -6.079 4.799 1.00 0.00 C ATOM 421 CD LYS A 160 -4.094 -7.454 4.848 1.00 0.00 C ATOM 422 CE LYS A 160 -5.612 -7.356 4.873 1.00 0.00 C ATOM 423 NZ LYS A 160 -6.235 -8.553 5.504 1.00 0.00 N ATOM 0 H LYS A 160 -3.740 -3.159 4.337 1.00 0.00 H new ATOM 0 HA LYS A 160 -1.452 -4.719 3.385 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -4.455 -5.165 3.148 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -3.212 -6.311 2.686 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -2.424 -6.143 5.165 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -3.983 -5.401 5.465 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -3.780 -8.036 3.981 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -3.748 -7.988 5.733 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -5.909 -6.461 5.420 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -5.986 -7.246 3.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -7.270 -8.448 5.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -5.972 -9.404 4.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -5.898 -8.644 6.484 1.00 0.00 H new ATOM 437 N CYS A 161 -1.541 -4.244 0.950 1.00 0.00 N ATOM 438 CA CYS A 161 -1.487 -3.838 -0.449 1.00 0.00 C ATOM 439 C CYS A 161 -2.870 -3.913 -1.090 1.00 0.00 C ATOM 440 O CYS A 161 -3.520 -4.959 -1.069 1.00 0.00 O ATOM 441 CB CYS A 161 -0.506 -4.722 -1.222 1.00 0.00 C ATOM 442 SG CYS A 161 -0.509 -4.439 -3.021 1.00 0.00 S ATOM 0 H CYS A 161 -0.764 -4.834 1.247 1.00 0.00 H new ATOM 0 HA CYS A 161 -1.142 -2.805 -0.488 1.00 0.00 H new ATOM 0 HB2 CYS A 161 0.500 -4.550 -0.840 1.00 0.00 H new ATOM 0 HB3 CYS A 161 -0.746 -5.768 -1.029 1.00 0.00 H new ATOM 0 HG CYS A 161 -0.298 -5.564 -3.638 1.00 0.00 H new ATOM 447 N HIS A 162 -3.313 -2.797 -1.661 1.00 0.00 N ATOM 448 CA HIS A 162 -4.618 -2.737 -2.309 1.00 0.00 C ATOM 449 C HIS A 162 -4.522 -3.181 -3.766 1.00 0.00 C ATOM 450 O HIS A 162 -5.216 -2.651 -4.634 1.00 0.00 O ATOM 451 CB HIS A 162 -5.184 -1.318 -2.233 1.00 0.00 C ATOM 452 CG HIS A 162 -4.589 -0.381 -3.239 1.00 0.00 C ATOM 453 ND1 HIS A 162 -5.193 -0.089 -4.444 1.00 0.00 N ATOM 454 CD2 HIS A 162 -3.439 0.332 -3.213 1.00 0.00 C ATOM 455 CE1 HIS A 162 -4.439 0.762 -5.116 1.00 0.00 C ATOM 456 NE2 HIS A 162 -3.369 1.034 -4.391 1.00 0.00 N ATOM 0 H HIS A 162 -2.788 -1.923 -1.688 1.00 0.00 H new ATOM 0 HA HIS A 162 -5.289 -3.417 -1.783 1.00 0.00 H new ATOM 0 HB2 HIS A 162 -6.263 -1.358 -2.380 1.00 0.00 H new ATOM 0 HB3 HIS A 162 -5.013 -0.920 -1.233 1.00 0.00 H new ATOM 0 HD2 HIS A 162 -2.712 0.346 -2.415 1.00 0.00 H new ATOM 0 HE1 HIS A 162 -4.660 1.167 -6.093 1.00 0.00 H new ATOM 0 HE2 HIS A 162 -2.613 1.663 -4.662 1.00 0.00 H new ATOM 464 N PHE A 163 -3.658 -4.155 -4.027 1.00 0.00 N ATOM 465 CA PHE A 163 -3.470 -4.669 -5.378 1.00 0.00 C ATOM 466 C PHE A 163 -3.492 -6.195 -5.388 1.00 0.00 C ATOM 467 O PHE A 163 -4.207 -6.812 -6.178 1.00 0.00 O ATOM 468 CB PHE A 163 -2.148 -4.164 -5.960 1.00 0.00 C ATOM 469 CG PHE A 163 -2.049 -4.321 -7.450 1.00 0.00 C ATOM 470 CD1 PHE A 163 -1.589 -5.504 -8.006 1.00 0.00 C ATOM 471 CD2 PHE A 163 -2.417 -3.287 -8.295 1.00 0.00 C ATOM 472 CE1 PHE A 163 -1.496 -5.651 -9.377 1.00 0.00 C ATOM 473 CE2 PHE A 163 -2.327 -3.429 -9.667 1.00 0.00 C ATOM 474 CZ PHE A 163 -1.867 -4.613 -10.209 1.00 0.00 C ATOM 0 H PHE A 163 -3.076 -4.605 -3.320 1.00 0.00 H new ATOM 0 HA PHE A 163 -4.293 -4.307 -5.994 1.00 0.00 H new ATOM 0 HB2 PHE A 163 -2.027 -3.111 -5.705 1.00 0.00 H new ATOM 0 HB3 PHE A 163 -1.325 -4.702 -5.491 1.00 0.00 H new ATOM 0 HD1 PHE A 163 -1.300 -6.320 -7.361 1.00 0.00 H new ATOM 0 HD2 PHE A 163 -2.778 -2.359 -7.877 1.00 0.00 H new ATOM 0 HE1 PHE A 163 -1.133 -6.577 -9.798 1.00 0.00 H new ATOM 0 HE2 PHE A 163 -2.616 -2.615 -10.315 1.00 0.00 H new ATOM 0 HZ PHE A 163 -1.798 -4.727 -11.281 1.00 0.00 H new ATOM 484 N CYS A 164 -2.703 -6.798 -4.505 1.00 0.00 N ATOM 485 CA CYS A 164 -2.630 -8.251 -4.411 1.00 0.00 C ATOM 486 C CYS A 164 -2.743 -8.708 -2.959 1.00 0.00 C ATOM 487 O CYS A 164 -2.255 -9.778 -2.596 1.00 0.00 O ATOM 488 CB CYS A 164 -1.319 -8.757 -5.016 1.00 0.00 C ATOM 489 SG CYS A 164 0.171 -8.224 -4.113 1.00 0.00 S ATOM 0 H CYS A 164 -2.105 -6.302 -3.844 1.00 0.00 H new ATOM 0 HA CYS A 164 -3.466 -8.669 -4.972 1.00 0.00 H new ATOM 0 HB2 CYS A 164 -1.342 -9.846 -5.047 1.00 0.00 H new ATOM 0 HB3 CYS A 164 -1.249 -8.410 -6.047 1.00 0.00 H new ATOM 0 HG CYS A 164 0.761 -7.272 -4.773 1.00 0.00 H new ATOM 494 N GLN A 165 -3.389 -7.890 -2.135 1.00 0.00 N ATOM 495 CA GLN A 165 -3.566 -8.211 -0.724 1.00 0.00 C ATOM 496 C GLN A 165 -2.295 -8.819 -0.141 1.00 0.00 C ATOM 497 O GLN A 165 -2.353 -9.719 0.697 1.00 0.00 O ATOM 498 CB GLN A 165 -4.738 -9.176 -0.541 1.00 0.00 C ATOM 499 CG GLN A 165 -6.097 -8.497 -0.579 1.00 0.00 C ATOM 500 CD GLN A 165 -7.202 -9.368 -0.014 1.00 0.00 C ATOM 501 OE1 GLN A 165 -7.301 -9.556 1.199 1.00 0.00 O ATOM 502 NE2 GLN A 165 -8.040 -9.906 -0.893 1.00 0.00 N ATOM 0 H GLN A 165 -3.798 -7.000 -2.420 1.00 0.00 H new ATOM 0 HA GLN A 165 -3.782 -7.285 -0.191 1.00 0.00 H new ATOM 0 HB2 GLN A 165 -4.698 -9.935 -1.322 1.00 0.00 H new ATOM 0 HB3 GLN A 165 -4.626 -9.694 0.412 1.00 0.00 H new ATOM 0 HG2 GLN A 165 -6.049 -7.566 -0.014 1.00 0.00 H new ATOM 0 HG3 GLN A 165 -6.338 -8.233 -1.609 1.00 0.00 H new ATOM 0 HE21 GLN A 165 -7.921 -9.723 -1.889 1.00 0.00 H new ATOM 0 HE22 GLN A 165 -8.803 -10.502 -0.572 1.00 0.00 H new ATOM 511 N SER A 166 -1.147 -8.323 -0.591 1.00 0.00 N ATOM 512 CA SER A 166 0.139 -8.821 -0.117 1.00 0.00 C ATOM 513 C SER A 166 0.645 -7.989 1.058 1.00 0.00 C ATOM 514 O SER A 166 1.427 -7.054 0.879 1.00 0.00 O ATOM 515 CB SER A 166 1.167 -8.802 -1.250 1.00 0.00 C ATOM 516 OG SER A 166 2.461 -9.123 -0.770 1.00 0.00 O ATOM 0 H SER A 166 -1.081 -7.577 -1.283 1.00 0.00 H new ATOM 0 HA SER A 166 0.000 -9.848 0.221 1.00 0.00 H new ATOM 0 HB2 SER A 166 0.875 -9.514 -2.022 1.00 0.00 H new ATOM 0 HB3 SER A 166 1.182 -7.816 -1.715 1.00 0.00 H new ATOM 0 HG SER A 166 3.099 -9.105 -1.513 1.00 0.00 H new ATOM 522 N ILE A 167 0.193 -8.336 2.258 1.00 0.00 N ATOM 523 CA ILE A 167 0.599 -7.622 3.462 1.00 0.00 C ATOM 524 C ILE A 167 2.115 -7.469 3.525 1.00 0.00 C ATOM 525 O ILE A 167 2.634 -6.628 4.259 1.00 0.00 O ATOM 526 CB ILE A 167 0.114 -8.342 4.735 1.00 0.00 C ATOM 527 CG1 ILE A 167 0.760 -9.725 4.841 1.00 0.00 C ATOM 528 CG2 ILE A 167 -1.403 -8.458 4.732 1.00 0.00 C ATOM 529 CD1 ILE A 167 0.590 -10.368 6.200 1.00 0.00 C ATOM 0 H ILE A 167 -0.454 -9.107 2.422 1.00 0.00 H new ATOM 0 HA ILE A 167 0.138 -6.636 3.414 1.00 0.00 H new ATOM 0 HB ILE A 167 0.412 -7.755 5.604 1.00 0.00 H new ATOM 0 HG12 ILE A 167 0.328 -10.378 4.082 1.00 0.00 H new ATOM 0 HG13 ILE A 167 1.824 -9.638 4.619 1.00 0.00 H new ATOM 0 HG21 ILE A 167 -1.731 -8.969 5.637 1.00 0.00 H new ATOM 0 HG22 ILE A 167 -1.844 -7.462 4.698 1.00 0.00 H new ATOM 0 HG23 ILE A 167 -1.723 -9.027 3.859 1.00 0.00 H new ATOM 0 HD11 ILE A 167 1.072 -11.345 6.203 1.00 0.00 H new ATOM 0 HD12 ILE A 167 1.047 -9.736 6.961 1.00 0.00 H new ATOM 0 HD13 ILE A 167 -0.472 -10.487 6.416 1.00 0.00 H new ATOM 541 N SER A 168 2.820 -8.286 2.750 1.00 0.00 N ATOM 542 CA SER A 168 4.277 -8.244 2.718 1.00 0.00 C ATOM 543 C SER A 168 4.770 -6.890 2.214 1.00 0.00 C ATOM 544 O SER A 168 5.245 -6.061 2.991 1.00 0.00 O ATOM 545 CB SER A 168 4.822 -9.362 1.827 1.00 0.00 C ATOM 546 OG SER A 168 5.013 -10.555 2.567 1.00 0.00 O ATOM 0 H SER A 168 2.405 -8.986 2.135 1.00 0.00 H new ATOM 0 HA SER A 168 4.642 -8.389 3.735 1.00 0.00 H new ATOM 0 HB2 SER A 168 4.130 -9.547 1.005 1.00 0.00 H new ATOM 0 HB3 SER A 168 5.768 -9.050 1.383 1.00 0.00 H new ATOM 0 HG SER A 168 5.360 -11.255 1.975 1.00 0.00 H new ATOM 552 N HIS A 169 4.653 -6.674 0.908 1.00 0.00 N ATOM 553 CA HIS A 169 5.086 -5.422 0.298 1.00 0.00 C ATOM 554 C HIS A 169 3.931 -4.428 0.220 1.00 0.00 C ATOM 555 O HIS A 169 2.798 -4.750 0.576 1.00 0.00 O ATOM 556 CB HIS A 169 5.649 -5.678 -1.100 1.00 0.00 C ATOM 557 CG HIS A 169 4.604 -6.047 -2.108 1.00 0.00 C ATOM 558 ND1 HIS A 169 4.675 -7.186 -2.883 1.00 0.00 N ATOM 559 CD2 HIS A 169 3.458 -5.422 -2.464 1.00 0.00 C ATOM 560 CE1 HIS A 169 3.618 -7.244 -3.673 1.00 0.00 C ATOM 561 NE2 HIS A 169 2.864 -6.185 -3.439 1.00 0.00 N ATOM 0 H HIS A 169 4.262 -7.350 0.252 1.00 0.00 H new ATOM 0 HA HIS A 169 5.869 -4.994 0.924 1.00 0.00 H new ATOM 0 HB2 HIS A 169 6.172 -4.785 -1.441 1.00 0.00 H new ATOM 0 HB3 HIS A 169 6.387 -6.478 -1.045 1.00 0.00 H new ATOM 0 HD2 HIS A 169 3.081 -4.495 -2.057 1.00 0.00 H new ATOM 0 HE1 HIS A 169 3.406 -8.025 -4.389 1.00 0.00 H new ATOM 0 HE2 HIS A 169 1.984 -5.969 -3.907 1.00 0.00 H new ATOM 569 N MET A 170 4.227 -3.220 -0.247 1.00 0.00 N ATOM 570 CA MET A 170 3.213 -2.179 -0.372 1.00 0.00 C ATOM 571 C MET A 170 2.893 -1.905 -1.838 1.00 0.00 C ATOM 572 O MET A 170 3.735 -2.100 -2.714 1.00 0.00 O ATOM 573 CB MET A 170 3.685 -0.893 0.309 1.00 0.00 C ATOM 574 CG MET A 170 3.676 -0.970 1.827 1.00 0.00 C ATOM 575 SD MET A 170 2.047 -0.648 2.530 1.00 0.00 S ATOM 576 CE MET A 170 1.645 0.914 1.750 1.00 0.00 C ATOM 0 H MET A 170 5.161 -2.937 -0.545 1.00 0.00 H new ATOM 0 HA MET A 170 2.306 -2.529 0.120 1.00 0.00 H new ATOM 0 HB2 MET A 170 4.695 -0.663 -0.029 1.00 0.00 H new ATOM 0 HB3 MET A 170 3.047 -0.068 -0.008 1.00 0.00 H new ATOM 0 HG2 MET A 170 4.013 -1.959 2.139 1.00 0.00 H new ATOM 0 HG3 MET A 170 4.389 -0.249 2.228 1.00 0.00 H new ATOM 0 HE1 MET A 170 1.002 1.496 2.410 1.00 0.00 H new ATOM 0 HE2 MET A 170 2.562 1.470 1.555 1.00 0.00 H new ATOM 0 HE3 MET A 170 1.126 0.728 0.810 1.00 0.00 H new ATOM 586 N VAL A 171 1.671 -1.451 -2.097 1.00 0.00 N ATOM 587 CA VAL A 171 1.240 -1.150 -3.457 1.00 0.00 C ATOM 588 C VAL A 171 2.252 -0.259 -4.169 1.00 0.00 C ATOM 589 O VAL A 171 2.378 -0.300 -5.392 1.00 0.00 O ATOM 590 CB VAL A 171 -0.136 -0.457 -3.469 1.00 0.00 C ATOM 591 CG1 VAL A 171 -0.042 0.928 -2.848 1.00 0.00 C ATOM 592 CG2 VAL A 171 -0.679 -0.378 -4.888 1.00 0.00 C ATOM 0 H VAL A 171 0.962 -1.284 -1.383 1.00 0.00 H new ATOM 0 HA VAL A 171 1.164 -2.101 -3.983 1.00 0.00 H new ATOM 0 HB VAL A 171 -0.828 -1.050 -2.871 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -1.023 1.402 -2.865 1.00 0.00 H new ATOM 0 HG12 VAL A 171 0.301 0.842 -1.817 1.00 0.00 H new ATOM 0 HG13 VAL A 171 0.664 1.534 -3.416 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -1.651 0.114 -4.879 1.00 0.00 H new ATOM 0 HG22 VAL A 171 0.010 0.193 -5.510 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -0.786 -1.384 -5.293 1.00 0.00 H new ATOM 602 N ALA A 172 2.972 0.546 -3.394 1.00 0.00 N ATOM 603 CA ALA A 172 3.975 1.446 -3.950 1.00 0.00 C ATOM 604 C ALA A 172 5.123 0.665 -4.580 1.00 0.00 C ATOM 605 O ALA A 172 5.717 1.103 -5.565 1.00 0.00 O ATOM 606 CB ALA A 172 4.499 2.382 -2.872 1.00 0.00 C ATOM 0 H ALA A 172 2.879 0.593 -2.379 1.00 0.00 H new ATOM 0 HA ALA A 172 3.502 2.040 -4.732 1.00 0.00 H new ATOM 0 HB1 ALA A 172 5.247 3.048 -3.301 1.00 0.00 H new ATOM 0 HB2 ALA A 172 3.675 2.972 -2.470 1.00 0.00 H new ATOM 0 HB3 ALA A 172 4.951 1.797 -2.071 1.00 0.00 H new ATOM 612 N SER A 173 5.431 -0.493 -4.005 1.00 0.00 N ATOM 613 CA SER A 173 6.512 -1.333 -4.509 1.00 0.00 C ATOM 614 C SER A 173 5.963 -2.468 -5.367 1.00 0.00 C ATOM 615 O SER A 173 6.661 -3.004 -6.228 1.00 0.00 O ATOM 616 CB SER A 173 7.325 -1.905 -3.346 1.00 0.00 C ATOM 617 OG SER A 173 7.956 -0.872 -2.608 1.00 0.00 O ATOM 0 H SER A 173 4.948 -0.871 -3.190 1.00 0.00 H new ATOM 0 HA SER A 173 7.162 -0.715 -5.128 1.00 0.00 H new ATOM 0 HB2 SER A 173 6.671 -2.479 -2.689 1.00 0.00 H new ATOM 0 HB3 SER A 173 8.077 -2.595 -3.729 1.00 0.00 H new ATOM 0 HG SER A 173 8.468 -1.263 -1.869 1.00 0.00 H new ATOM 623 N CYS A 174 4.707 -2.830 -5.126 1.00 0.00 N ATOM 624 CA CYS A 174 4.062 -3.901 -5.876 1.00 0.00 C ATOM 625 C CYS A 174 4.504 -3.886 -7.336 1.00 0.00 C ATOM 626 O CYS A 174 4.307 -2.909 -8.060 1.00 0.00 O ATOM 627 CB CYS A 174 2.541 -3.767 -5.790 1.00 0.00 C ATOM 628 SG CYS A 174 1.633 -5.262 -6.300 1.00 0.00 S ATOM 0 H CYS A 174 4.116 -2.397 -4.417 1.00 0.00 H new ATOM 0 HA CYS A 174 4.362 -4.851 -5.435 1.00 0.00 H new ATOM 0 HB2 CYS A 174 2.266 -3.520 -4.765 1.00 0.00 H new ATOM 0 HB3 CYS A 174 2.225 -2.932 -6.415 1.00 0.00 H new ATOM 0 HG CYS A 174 0.501 -4.919 -6.840 1.00 0.00 H new ATOM 633 N PRO A 175 5.115 -4.993 -7.781 1.00 0.00 N ATOM 634 CA PRO A 175 5.597 -5.133 -9.159 1.00 0.00 C ATOM 635 C PRO A 175 4.455 -5.241 -10.164 1.00 0.00 C ATOM 636 O PRO A 175 4.432 -4.532 -11.171 1.00 0.00 O ATOM 637 CB PRO A 175 6.403 -6.434 -9.123 1.00 0.00 C ATOM 638 CG PRO A 175 5.817 -7.211 -7.994 1.00 0.00 C ATOM 639 CD PRO A 175 5.383 -6.196 -6.974 1.00 0.00 C ATOM 0 HA PRO A 175 6.176 -4.266 -9.478 1.00 0.00 H new ATOM 0 HB2 PRO A 175 6.319 -6.978 -10.064 1.00 0.00 H new ATOM 0 HB3 PRO A 175 7.463 -6.239 -8.961 1.00 0.00 H new ATOM 0 HG2 PRO A 175 4.972 -7.812 -8.331 1.00 0.00 H new ATOM 0 HG3 PRO A 175 6.549 -7.899 -7.572 1.00 0.00 H new ATOM 0 HD2 PRO A 175 4.495 -6.524 -6.434 1.00 0.00 H new ATOM 0 HD3 PRO A 175 6.160 -6.016 -6.231 1.00 0.00 H new ATOM 647 N LEU A 176 3.510 -6.131 -9.884 1.00 0.00 N ATOM 648 CA LEU A 176 2.364 -6.332 -10.765 1.00 0.00 C ATOM 649 C LEU A 176 1.777 -4.995 -11.207 1.00 0.00 C ATOM 650 O LEU A 176 1.393 -4.826 -12.365 1.00 0.00 O ATOM 651 CB LEU A 176 1.292 -7.163 -10.057 1.00 0.00 C ATOM 652 CG LEU A 176 1.739 -8.528 -9.532 1.00 0.00 C ATOM 653 CD1 LEU A 176 0.776 -9.032 -8.469 1.00 0.00 C ATOM 654 CD2 LEU A 176 1.848 -9.529 -10.673 1.00 0.00 C ATOM 0 H LEU A 176 3.514 -6.725 -9.055 1.00 0.00 H new ATOM 0 HA LEU A 176 2.706 -6.869 -11.650 1.00 0.00 H new ATOM 0 HB2 LEU A 176 0.905 -6.583 -9.219 1.00 0.00 H new ATOM 0 HB3 LEU A 176 0.463 -7.316 -10.749 1.00 0.00 H new ATOM 0 HG LEU A 176 2.724 -8.417 -9.078 1.00 0.00 H new ATOM 0 HD11 LEU A 176 1.110 -10.004 -8.107 1.00 0.00 H new ATOM 0 HD12 LEU A 176 0.748 -8.326 -7.639 1.00 0.00 H new ATOM 0 HD13 LEU A 176 -0.222 -9.128 -8.898 1.00 0.00 H new ATOM 0 HD21 LEU A 176 2.167 -10.495 -10.281 1.00 0.00 H new ATOM 0 HD22 LEU A 176 0.877 -9.637 -11.156 1.00 0.00 H new ATOM 0 HD23 LEU A 176 2.578 -9.174 -11.400 1.00 0.00 H new ATOM 666 N LYS A 177 1.711 -4.047 -10.279 1.00 0.00 N ATOM 667 CA LYS A 177 1.175 -2.724 -10.573 1.00 0.00 C ATOM 668 C LYS A 177 2.063 -1.985 -11.569 1.00 0.00 C ATOM 669 O LYS A 177 1.594 -1.518 -12.606 1.00 0.00 O ATOM 670 CB LYS A 177 1.045 -1.906 -9.285 1.00 0.00 C ATOM 671 CG LYS A 177 0.068 -0.748 -9.397 1.00 0.00 C ATOM 672 CD LYS A 177 0.421 0.373 -8.433 1.00 0.00 C ATOM 673 CE LYS A 177 -0.650 1.453 -8.419 1.00 0.00 C ATOM 674 NZ LYS A 177 -0.375 2.493 -7.389 1.00 0.00 N ATOM 0 H LYS A 177 2.023 -4.171 -9.316 1.00 0.00 H new ATOM 0 HA LYS A 177 0.188 -2.851 -11.018 1.00 0.00 H new ATOM 0 HB2 LYS A 177 0.725 -2.564 -8.477 1.00 0.00 H new ATOM 0 HB3 LYS A 177 2.026 -1.518 -9.010 1.00 0.00 H new ATOM 0 HG2 LYS A 177 0.070 -0.366 -10.418 1.00 0.00 H new ATOM 0 HG3 LYS A 177 -0.942 -1.102 -9.191 1.00 0.00 H new ATOM 0 HD2 LYS A 177 0.542 -0.034 -7.429 1.00 0.00 H new ATOM 0 HD3 LYS A 177 1.378 0.811 -8.717 1.00 0.00 H new ATOM 0 HE2 LYS A 177 -0.707 1.921 -9.402 1.00 0.00 H new ATOM 0 HE3 LYS A 177 -1.622 0.998 -8.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 -1.260 2.983 -7.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 0.017 2.043 -6.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 0.309 3.180 -7.764 1.00 0.00 H new ATOM 688 N ALA A 178 3.349 -1.885 -11.247 1.00 0.00 N ATOM 689 CA ALA A 178 4.303 -1.207 -12.116 1.00 0.00 C ATOM 690 C ALA A 178 4.975 -2.191 -13.067 1.00 0.00 C ATOM 691 O ALA A 178 6.170 -2.083 -13.343 1.00 0.00 O ATOM 692 CB ALA A 178 5.347 -0.476 -11.284 1.00 0.00 C ATOM 0 H ALA A 178 3.754 -2.265 -10.391 1.00 0.00 H new ATOM 0 HA ALA A 178 3.757 -0.479 -12.716 1.00 0.00 H new ATOM 0 HB1 ALA A 178 6.053 0.026 -11.945 1.00 0.00 H new ATOM 0 HB2 ALA A 178 4.856 0.262 -10.650 1.00 0.00 H new ATOM 0 HB3 ALA A 178 5.881 -1.192 -10.659 1.00 0.00 H new