USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 491 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 NoAdj-H: A 203 HIS HE2 : A 203 HIS NE2 : A 301 ZNZN :(H bumps) USER MOD NoAdj-H: A 209 HIS HD1 : A 209 HIS ND1 : A 301 ZNZN :(H bumps) USER MOD Single : A 168 SER OG : rot 38:sc= 0.1 USER MOD Single : A 169 THR OG1 : rot 180:sc= 0 USER MOD Single : A 170 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 175 HIS : no HD1:sc= -0.0559 X(o=-0.056,f=-0.056) USER MOD Single : A 176 GLN : amide:sc= -0.277 X(o=-0.28,f=-0.3) USER MOD Single : A 177 ASN : amide:sc= 0.643 K(o=0.64,f=-5.6!) USER MOD Single : A 180 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 185 LYS NZ :NH3+ -111:sc=-0.00665 (180deg=-0.359) USER MOD Single : A 188 SER OG : rot 180:sc= 0 USER MOD Single : A 191 HIS : no HE2:sc= 0.00934 X(o=0.0093,f=-0.11) USER MOD Single : A 193 THR OG1 : rot 180:sc= 0 USER MOD Single : A 195 ASN : amide:sc= -0.0413 X(o=-0.041,f=-0.041) USER MOD Single : A 199 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 201 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 202 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.13) USER MOD Single : A 204 TYR OH : rot 30:sc= 0 USER MOD Single : A 207 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 208 LYS NZ :NH3+ -140:sc= -0.0142 (180deg=-1.07) USER MOD Single : A 211 LYS NZ :NH3+ -113:sc= -0.0725 (180deg=-0.805) USER MOD Single : A 212 GLN : amide:sc= -0.162 K(o=-0.16,f=-3!) USER MOD Single : A 214 THR OG1 : rot 78:sc= 0.0867 USER MOD Single : A 215 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0752) USER MOD Single : A 217 LYS NZ :NH3+ 138:sc= 0.0647 (180deg=0) USER MOD Single : A 219 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 222 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 168 6.773 -10.633 -1.912 1.00 0.00 N ATOM 2 CA SER A 168 7.810 -9.768 -1.330 1.00 0.00 C ATOM 3 C SER A 168 7.790 -8.321 -1.861 1.00 0.00 C ATOM 4 O SER A 168 8.605 -7.495 -1.444 1.00 0.00 O ATOM 5 CB SER A 168 9.198 -10.390 -1.552 1.00 0.00 C ATOM 6 OG SER A 168 9.254 -11.707 -1.015 1.00 0.00 O ATOM 0 HA SER A 168 7.588 -9.703 -0.265 1.00 0.00 H new ATOM 0 HB2 SER A 168 9.423 -10.417 -2.618 1.00 0.00 H new ATOM 0 HB3 SER A 168 9.960 -9.768 -1.082 1.00 0.00 H new ATOM 0 HG SER A 168 8.399 -12.160 -1.169 1.00 0.00 H new ATOM 12 N THR A 169 6.857 -8.004 -2.767 1.00 0.00 N ATOM 13 CA THR A 169 6.666 -6.680 -3.398 1.00 0.00 C ATOM 14 C THR A 169 5.170 -6.361 -3.513 1.00 0.00 C ATOM 15 O THR A 169 4.379 -7.218 -3.918 1.00 0.00 O ATOM 16 CB THR A 169 7.311 -6.647 -4.800 1.00 0.00 C ATOM 17 OG1 THR A 169 8.695 -6.931 -4.729 1.00 0.00 O ATOM 18 CG2 THR A 169 7.194 -5.283 -5.484 1.00 0.00 C ATOM 0 H THR A 169 6.180 -8.691 -3.100 1.00 0.00 H new ATOM 0 HA THR A 169 7.148 -5.930 -2.771 1.00 0.00 H new ATOM 0 HB THR A 169 6.768 -7.398 -5.374 1.00 0.00 H new ATOM 0 HG1 THR A 169 9.081 -6.906 -5.630 1.00 0.00 H new ATOM 0 HG21 THR A 169 7.667 -5.326 -6.465 1.00 0.00 H new ATOM 0 HG22 THR A 169 6.142 -5.023 -5.599 1.00 0.00 H new ATOM 0 HG23 THR A 169 7.690 -4.527 -4.875 1.00 0.00 H new ATOM 26 N LYS A 170 4.775 -5.127 -3.160 1.00 0.00 N ATOM 27 CA LYS A 170 3.381 -4.637 -3.186 1.00 0.00 C ATOM 28 C LYS A 170 3.320 -3.134 -3.514 1.00 0.00 C ATOM 29 O LYS A 170 3.005 -2.299 -2.663 1.00 0.00 O ATOM 30 CB LYS A 170 2.683 -5.020 -1.863 1.00 0.00 C ATOM 31 CG LYS A 170 1.152 -4.867 -1.944 1.00 0.00 C ATOM 32 CD LYS A 170 0.440 -5.249 -0.638 1.00 0.00 C ATOM 33 CE LYS A 170 0.572 -6.742 -0.318 1.00 0.00 C ATOM 34 NZ LYS A 170 -0.176 -7.093 0.907 1.00 0.00 N ATOM 0 H LYS A 170 5.435 -4.419 -2.838 1.00 0.00 H new ATOM 0 HA LYS A 170 2.830 -5.121 -3.993 1.00 0.00 H new ATOM 0 HB2 LYS A 170 2.930 -6.051 -1.610 1.00 0.00 H new ATOM 0 HB3 LYS A 170 3.066 -4.393 -1.058 1.00 0.00 H new ATOM 0 HG2 LYS A 170 0.909 -3.835 -2.195 1.00 0.00 H new ATOM 0 HG3 LYS A 170 0.773 -5.490 -2.754 1.00 0.00 H new ATOM 0 HD2 LYS A 170 0.856 -4.666 0.184 1.00 0.00 H new ATOM 0 HD3 LYS A 170 -0.616 -4.988 -0.713 1.00 0.00 H new ATOM 0 HE2 LYS A 170 0.199 -7.331 -1.156 1.00 0.00 H new ATOM 0 HE3 LYS A 170 1.624 -6.998 -0.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -0.069 -8.109 1.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 0.197 -6.547 1.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -1.183 -6.870 0.775 1.00 0.00 H new ATOM 48 N VAL A 171 3.676 -2.789 -4.754 1.00 0.00 N ATOM 49 CA VAL A 171 3.681 -1.403 -5.272 1.00 0.00 C ATOM 50 C VAL A 171 2.277 -0.775 -5.305 1.00 0.00 C ATOM 51 O VAL A 171 1.261 -1.474 -5.308 1.00 0.00 O ATOM 52 CB VAL A 171 4.335 -1.315 -6.670 1.00 0.00 C ATOM 53 CG1 VAL A 171 5.826 -1.663 -6.600 1.00 0.00 C ATOM 54 CG2 VAL A 171 3.664 -2.210 -7.720 1.00 0.00 C ATOM 0 H VAL A 171 3.977 -3.474 -5.447 1.00 0.00 H new ATOM 0 HA VAL A 171 4.283 -0.827 -4.569 1.00 0.00 H new ATOM 0 HB VAL A 171 4.201 -0.281 -6.987 1.00 0.00 H new ATOM 0 HG11 VAL A 171 6.263 -1.594 -7.596 1.00 0.00 H new ATOM 0 HG12 VAL A 171 6.332 -0.965 -5.933 1.00 0.00 H new ATOM 0 HG13 VAL A 171 5.945 -2.678 -6.221 1.00 0.00 H new ATOM 0 HG21 VAL A 171 4.176 -2.096 -8.676 1.00 0.00 H new ATOM 0 HG22 VAL A 171 3.720 -3.251 -7.400 1.00 0.00 H new ATOM 0 HG23 VAL A 171 2.619 -1.920 -7.831 1.00 0.00 H new ATOM 64 N GLU A 172 2.213 0.558 -5.355 1.00 0.00 N ATOM 65 CA GLU A 172 0.977 1.362 -5.398 1.00 0.00 C ATOM 66 C GLU A 172 0.304 1.356 -6.796 1.00 0.00 C ATOM 67 O GLU A 172 0.066 2.402 -7.407 1.00 0.00 O ATOM 68 CB GLU A 172 1.293 2.777 -4.870 1.00 0.00 C ATOM 69 CG GLU A 172 0.041 3.544 -4.418 1.00 0.00 C ATOM 70 CD GLU A 172 0.410 4.938 -3.894 1.00 0.00 C ATOM 71 OE1 GLU A 172 0.674 5.059 -2.672 1.00 0.00 O ATOM 72 OE2 GLU A 172 0.432 5.892 -4.710 1.00 0.00 O ATOM 0 H GLU A 172 3.053 1.136 -5.367 1.00 0.00 H new ATOM 0 HA GLU A 172 0.229 0.910 -4.747 1.00 0.00 H new ATOM 0 HB2 GLU A 172 1.987 2.700 -4.033 1.00 0.00 H new ATOM 0 HB3 GLU A 172 1.798 3.345 -5.651 1.00 0.00 H new ATOM 0 HG2 GLU A 172 -0.654 3.637 -5.253 1.00 0.00 H new ATOM 0 HG3 GLU A 172 -0.472 2.982 -3.638 1.00 0.00 H new ATOM 79 N ALA A 173 0.023 0.165 -7.336 1.00 0.00 N ATOM 80 CA ALA A 173 -0.616 -0.028 -8.641 1.00 0.00 C ATOM 81 C ALA A 173 -2.032 0.590 -8.703 1.00 0.00 C ATOM 82 O ALA A 173 -2.786 0.557 -7.725 1.00 0.00 O ATOM 83 CB ALA A 173 -0.647 -1.532 -8.946 1.00 0.00 C ATOM 0 H ALA A 173 0.240 -0.713 -6.865 1.00 0.00 H new ATOM 0 HA ALA A 173 -0.034 0.494 -9.400 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -1.119 -1.697 -9.914 1.00 0.00 H new ATOM 0 HB2 ALA A 173 0.371 -1.920 -8.968 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -1.215 -2.049 -8.172 1.00 0.00 H new ATOM 89 N LEU A 174 -2.400 1.146 -9.863 1.00 0.00 N ATOM 90 CA LEU A 174 -3.704 1.781 -10.100 1.00 0.00 C ATOM 91 C LEU A 174 -4.801 0.739 -10.402 1.00 0.00 C ATOM 92 O LEU A 174 -4.572 -0.230 -11.131 1.00 0.00 O ATOM 93 CB LEU A 174 -3.592 2.788 -11.266 1.00 0.00 C ATOM 94 CG LEU A 174 -3.010 4.169 -10.895 1.00 0.00 C ATOM 95 CD1 LEU A 174 -1.546 4.131 -10.450 1.00 0.00 C ATOM 96 CD2 LEU A 174 -3.101 5.098 -12.107 1.00 0.00 C ATOM 0 H LEU A 174 -1.789 1.168 -10.679 1.00 0.00 H new ATOM 0 HA LEU A 174 -3.991 2.307 -9.189 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -2.970 2.348 -12.045 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -4.584 2.934 -11.694 1.00 0.00 H new ATOM 0 HG LEU A 174 -3.602 4.524 -10.051 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -1.213 5.140 -10.207 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -1.450 3.496 -9.570 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -0.931 3.730 -11.256 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -2.691 6.074 -11.849 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -2.533 4.673 -12.935 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -4.144 5.209 -12.403 1.00 0.00 H new ATOM 108 N HIS A 175 -6.006 0.975 -9.863 1.00 0.00 N ATOM 109 CA HIS A 175 -7.210 0.128 -10.019 1.00 0.00 C ATOM 110 C HIS A 175 -8.504 0.959 -10.182 1.00 0.00 C ATOM 111 O HIS A 175 -9.588 0.516 -9.795 1.00 0.00 O ATOM 112 CB HIS A 175 -7.304 -0.843 -8.820 1.00 0.00 C ATOM 113 CG HIS A 175 -6.106 -1.742 -8.638 1.00 0.00 C ATOM 114 ND1 HIS A 175 -5.158 -1.638 -7.637 1.00 0.00 N ATOM 115 CD2 HIS A 175 -5.772 -2.816 -9.417 1.00 0.00 C ATOM 116 CE1 HIS A 175 -4.262 -2.629 -7.805 1.00 0.00 C ATOM 117 NE2 HIS A 175 -4.616 -3.355 -8.884 1.00 0.00 N ATOM 0 H HIS A 175 -6.181 1.794 -9.281 1.00 0.00 H new ATOM 0 HA HIS A 175 -7.110 -0.444 -10.941 1.00 0.00 H new ATOM 0 HB2 HIS A 175 -7.445 -0.261 -7.909 1.00 0.00 H new ATOM 0 HB3 HIS A 175 -8.191 -1.464 -8.942 1.00 0.00 H new ATOM 0 HD2 HIS A 175 -6.309 -3.174 -10.283 1.00 0.00 H new ATOM 0 HE1 HIS A 175 -3.402 -2.812 -7.178 1.00 0.00 H new ATOM 0 HE2 HIS A 175 -4.115 -4.166 -9.247 1.00 0.00 H new ATOM 126 N GLN A 176 -8.392 2.183 -10.716 1.00 0.00 N ATOM 127 CA GLN A 176 -9.491 3.151 -10.887 1.00 0.00 C ATOM 128 C GLN A 176 -10.718 2.566 -11.618 1.00 0.00 C ATOM 129 O GLN A 176 -11.834 2.628 -11.099 1.00 0.00 O ATOM 130 CB GLN A 176 -8.913 4.400 -11.585 1.00 0.00 C ATOM 131 CG GLN A 176 -9.819 5.647 -11.586 1.00 0.00 C ATOM 132 CD GLN A 176 -10.924 5.636 -12.644 1.00 0.00 C ATOM 133 OE1 GLN A 176 -12.111 5.633 -12.347 1.00 0.00 O ATOM 134 NE2 GLN A 176 -10.586 5.642 -13.918 1.00 0.00 N ATOM 0 H GLN A 176 -7.500 2.543 -11.055 1.00 0.00 H new ATOM 0 HA GLN A 176 -9.884 3.424 -9.908 1.00 0.00 H new ATOM 0 HB2 GLN A 176 -7.971 4.659 -11.103 1.00 0.00 H new ATOM 0 HB3 GLN A 176 -8.682 4.141 -12.618 1.00 0.00 H new ATOM 0 HG2 GLN A 176 -10.278 5.746 -10.602 1.00 0.00 H new ATOM 0 HG3 GLN A 176 -9.198 6.530 -11.738 1.00 0.00 H new ATOM 0 HE21 GLN A 176 -9.601 5.645 -14.184 1.00 0.00 H new ATOM 0 HE22 GLN A 176 -11.309 5.644 -14.637 1.00 0.00 H new ATOM 143 N ASN A 177 -10.512 1.973 -12.800 1.00 0.00 N ATOM 144 CA ASN A 177 -11.543 1.323 -13.624 1.00 0.00 C ATOM 145 C ASN A 177 -10.893 0.432 -14.712 1.00 0.00 C ATOM 146 O ASN A 177 -9.662 0.346 -14.801 1.00 0.00 O ATOM 147 CB ASN A 177 -12.461 2.407 -14.245 1.00 0.00 C ATOM 148 CG ASN A 177 -13.913 1.962 -14.362 1.00 0.00 C ATOM 149 OD1 ASN A 177 -14.228 0.896 -14.871 1.00 0.00 O ATOM 150 ND2 ASN A 177 -14.848 2.750 -13.882 1.00 0.00 N ATOM 0 H ASN A 177 -9.587 1.930 -13.227 1.00 0.00 H new ATOM 0 HA ASN A 177 -12.152 0.671 -12.998 1.00 0.00 H new ATOM 0 HB2 ASN A 177 -12.411 3.310 -13.636 1.00 0.00 H new ATOM 0 HB3 ASN A 177 -12.086 2.669 -15.234 1.00 0.00 H new ATOM 0 HD21 ASN A 177 -15.828 2.471 -13.936 1.00 0.00 H new ATOM 0 HD22 ASN A 177 -14.594 3.641 -13.456 1.00 0.00 H new ATOM 157 N ARG A 178 -11.711 -0.213 -15.554 1.00 0.00 N ATOM 158 CA ARG A 178 -11.281 -1.040 -16.699 1.00 0.00 C ATOM 159 C ARG A 178 -10.537 -0.216 -17.763 1.00 0.00 C ATOM 160 O ARG A 178 -10.633 1.011 -17.802 1.00 0.00 O ATOM 161 CB ARG A 178 -12.506 -1.780 -17.276 1.00 0.00 C ATOM 162 CG ARG A 178 -13.495 -0.868 -18.031 1.00 0.00 C ATOM 163 CD ARG A 178 -14.895 -1.487 -18.136 1.00 0.00 C ATOM 164 NE ARG A 178 -14.898 -2.769 -18.868 1.00 0.00 N ATOM 165 CZ ARG A 178 -15.778 -3.748 -18.724 1.00 0.00 C ATOM 166 NH1 ARG A 178 -16.777 -3.688 -17.881 1.00 0.00 N ATOM 167 NH2 ARG A 178 -15.674 -4.833 -19.440 1.00 0.00 N ATOM 0 H ARG A 178 -12.726 -0.175 -15.457 1.00 0.00 H new ATOM 0 HA ARG A 178 -10.560 -1.779 -16.351 1.00 0.00 H new ATOM 0 HB2 ARG A 178 -12.160 -2.561 -17.953 1.00 0.00 H new ATOM 0 HB3 ARG A 178 -13.035 -2.275 -16.462 1.00 0.00 H new ATOM 0 HG2 ARG A 178 -13.562 0.092 -17.520 1.00 0.00 H new ATOM 0 HG3 ARG A 178 -13.112 -0.670 -19.032 1.00 0.00 H new ATOM 0 HD2 ARG A 178 -15.294 -1.645 -17.134 1.00 0.00 H new ATOM 0 HD3 ARG A 178 -15.561 -0.785 -18.638 1.00 0.00 H new ATOM 0 HE ARG A 178 -14.152 -2.914 -19.549 1.00 0.00 H new ATOM 0 HH11 ARG A 178 -16.904 -2.860 -17.298 1.00 0.00 H new ATOM 0 HH12 ARG A 178 -17.429 -4.469 -17.806 1.00 0.00 H new ATOM 0 HH21 ARG A 178 -14.913 -4.929 -20.113 1.00 0.00 H new ATOM 0 HH22 ARG A 178 -16.353 -5.586 -19.327 1.00 0.00 H new ATOM 181 N GLU A 179 -9.813 -0.895 -18.650 1.00 0.00 N ATOM 182 CA GLU A 179 -9.019 -0.284 -19.729 1.00 0.00 C ATOM 183 C GLU A 179 -9.367 -0.924 -21.083 1.00 0.00 C ATOM 184 O GLU A 179 -8.688 -1.835 -21.563 1.00 0.00 O ATOM 185 CB GLU A 179 -7.513 -0.365 -19.403 1.00 0.00 C ATOM 186 CG GLU A 179 -7.087 0.401 -18.136 1.00 0.00 C ATOM 187 CD GLU A 179 -7.357 1.916 -18.181 1.00 0.00 C ATOM 188 OE1 GLU A 179 -7.384 2.496 -19.295 1.00 0.00 O ATOM 189 OE2 GLU A 179 -7.508 2.515 -17.088 1.00 0.00 O ATOM 0 H GLU A 179 -9.757 -1.913 -18.643 1.00 0.00 H new ATOM 0 HA GLU A 179 -9.271 0.774 -19.805 1.00 0.00 H new ATOM 0 HB2 GLU A 179 -7.236 -1.413 -19.288 1.00 0.00 H new ATOM 0 HB3 GLU A 179 -6.950 0.022 -20.252 1.00 0.00 H new ATOM 0 HG2 GLU A 179 -7.610 -0.022 -17.278 1.00 0.00 H new ATOM 0 HG3 GLU A 179 -6.022 0.240 -17.971 1.00 0.00 H new ATOM 196 N MET A 180 -10.464 -0.452 -21.685 1.00 0.00 N ATOM 197 CA MET A 180 -11.007 -0.930 -22.965 1.00 0.00 C ATOM 198 C MET A 180 -11.521 0.234 -23.831 1.00 0.00 C ATOM 199 O MET A 180 -11.996 1.249 -23.315 1.00 0.00 O ATOM 200 CB MET A 180 -12.172 -1.905 -22.703 1.00 0.00 C ATOM 201 CG MET A 180 -11.759 -3.183 -21.964 1.00 0.00 C ATOM 202 SD MET A 180 -13.137 -4.321 -21.660 1.00 0.00 S ATOM 203 CE MET A 180 -12.241 -5.666 -20.837 1.00 0.00 C ATOM 0 H MET A 180 -11.020 0.301 -21.281 1.00 0.00 H new ATOM 0 HA MET A 180 -10.201 -1.432 -23.500 1.00 0.00 H new ATOM 0 HB2 MET A 180 -12.938 -1.392 -22.121 1.00 0.00 H new ATOM 0 HB3 MET A 180 -12.625 -2.178 -23.656 1.00 0.00 H new ATOM 0 HG2 MET A 180 -10.994 -3.698 -22.545 1.00 0.00 H new ATOM 0 HG3 MET A 180 -11.306 -2.911 -21.011 1.00 0.00 H new ATOM 0 HE1 MET A 180 -12.939 -6.462 -20.576 1.00 0.00 H new ATOM 0 HE2 MET A 180 -11.478 -6.059 -21.509 1.00 0.00 H new ATOM 0 HE3 MET A 180 -11.767 -5.287 -19.931 1.00 0.00 H new ATOM 213 N ILE A 181 -11.454 0.065 -25.153 1.00 0.00 N ATOM 214 CA ILE A 181 -11.923 0.996 -26.182 1.00 0.00 C ATOM 215 C ILE A 181 -12.478 0.173 -27.358 1.00 0.00 C ATOM 216 O ILE A 181 -11.981 -0.916 -27.639 1.00 0.00 O ATOM 217 CB ILE A 181 -10.765 1.944 -26.571 1.00 0.00 C ATOM 218 CG1 ILE A 181 -11.216 3.092 -27.490 1.00 0.00 C ATOM 219 CG2 ILE A 181 -9.579 1.214 -27.230 1.00 0.00 C ATOM 220 CD1 ILE A 181 -12.241 4.044 -26.861 1.00 0.00 C ATOM 0 H ILE A 181 -11.046 -0.777 -25.559 1.00 0.00 H new ATOM 0 HA ILE A 181 -12.732 1.633 -25.824 1.00 0.00 H new ATOM 0 HB ILE A 181 -10.431 2.362 -25.621 1.00 0.00 H new ATOM 0 HG12 ILE A 181 -10.340 3.667 -27.789 1.00 0.00 H new ATOM 0 HG13 ILE A 181 -11.643 2.667 -28.398 1.00 0.00 H new ATOM 0 HG21 ILE A 181 -8.801 1.935 -27.479 1.00 0.00 H new ATOM 0 HG22 ILE A 181 -9.179 0.472 -26.539 1.00 0.00 H new ATOM 0 HG23 ILE A 181 -9.917 0.717 -28.139 1.00 0.00 H new ATOM 0 HD11 ILE A 181 -12.503 4.822 -27.578 1.00 0.00 H new ATOM 0 HD12 ILE A 181 -13.137 3.486 -26.588 1.00 0.00 H new ATOM 0 HD13 ILE A 181 -11.813 4.502 -25.969 1.00 0.00 H new ATOM 232 N ASP A 182 -13.528 0.655 -28.023 1.00 0.00 N ATOM 233 CA ASP A 182 -14.261 -0.070 -29.076 1.00 0.00 C ATOM 234 C ASP A 182 -14.412 0.718 -30.400 1.00 0.00 C ATOM 235 O ASP A 182 -15.526 1.091 -30.784 1.00 0.00 O ATOM 236 CB ASP A 182 -15.599 -0.567 -28.484 1.00 0.00 C ATOM 237 CG ASP A 182 -16.623 0.535 -28.149 1.00 0.00 C ATOM 238 OD1 ASP A 182 -16.229 1.564 -27.546 1.00 0.00 O ATOM 239 OD2 ASP A 182 -17.823 0.333 -28.456 1.00 0.00 O ATOM 0 H ASP A 182 -13.907 1.585 -27.844 1.00 0.00 H new ATOM 0 HA ASP A 182 -13.669 -0.932 -29.384 1.00 0.00 H new ATOM 0 HB2 ASP A 182 -16.055 -1.260 -29.191 1.00 0.00 H new ATOM 0 HB3 ASP A 182 -15.388 -1.131 -27.576 1.00 0.00 H new ATOM 244 N PRO A 183 -13.304 0.987 -31.118 1.00 0.00 N ATOM 245 CA PRO A 183 -13.334 1.693 -32.398 1.00 0.00 C ATOM 246 C PRO A 183 -13.856 0.788 -33.528 1.00 0.00 C ATOM 247 O PRO A 183 -13.768 -0.442 -33.462 1.00 0.00 O ATOM 248 CB PRO A 183 -11.879 2.101 -32.651 1.00 0.00 C ATOM 249 CG PRO A 183 -11.085 0.966 -32.004 1.00 0.00 C ATOM 250 CD PRO A 183 -11.936 0.596 -30.791 1.00 0.00 C ATOM 0 HA PRO A 183 -14.006 2.550 -32.372 1.00 0.00 H new ATOM 0 HB2 PRO A 183 -11.664 2.188 -33.716 1.00 0.00 H new ATOM 0 HB3 PRO A 183 -11.646 3.065 -32.199 1.00 0.00 H new ATOM 0 HG2 PRO A 183 -10.962 0.122 -32.683 1.00 0.00 H new ATOM 0 HG3 PRO A 183 -10.086 1.289 -31.712 1.00 0.00 H new ATOM 0 HD2 PRO A 183 -11.875 -0.473 -30.585 1.00 0.00 H new ATOM 0 HD3 PRO A 183 -11.586 1.114 -29.898 1.00 0.00 H new ATOM 258 N ASP A 184 -14.362 1.394 -34.604 1.00 0.00 N ATOM 259 CA ASP A 184 -14.797 0.659 -35.798 1.00 0.00 C ATOM 260 C ASP A 184 -13.581 0.187 -36.622 1.00 0.00 C ATOM 261 O ASP A 184 -12.599 0.924 -36.766 1.00 0.00 O ATOM 262 CB ASP A 184 -15.746 1.523 -36.646 1.00 0.00 C ATOM 263 CG ASP A 184 -15.060 2.733 -37.297 1.00 0.00 C ATOM 264 OD1 ASP A 184 -14.796 3.719 -36.567 1.00 0.00 O ATOM 265 OD2 ASP A 184 -14.821 2.681 -38.527 1.00 0.00 O ATOM 0 H ASP A 184 -14.482 2.404 -34.674 1.00 0.00 H new ATOM 0 HA ASP A 184 -15.345 -0.228 -35.479 1.00 0.00 H new ATOM 0 HB2 ASP A 184 -16.188 0.903 -37.426 1.00 0.00 H new ATOM 0 HB3 ASP A 184 -16.564 1.875 -36.017 1.00 0.00 H new ATOM 270 N LYS A 185 -13.646 -1.029 -37.177 1.00 0.00 N ATOM 271 CA LYS A 185 -12.594 -1.645 -37.998 1.00 0.00 C ATOM 272 C LYS A 185 -13.202 -2.368 -39.199 1.00 0.00 C ATOM 273 O LYS A 185 -14.384 -2.717 -39.192 1.00 0.00 O ATOM 274 CB LYS A 185 -11.783 -2.628 -37.133 1.00 0.00 C ATOM 275 CG LYS A 185 -10.864 -1.974 -36.090 1.00 0.00 C ATOM 276 CD LYS A 185 -9.676 -1.241 -36.737 1.00 0.00 C ATOM 277 CE LYS A 185 -8.716 -0.666 -35.690 1.00 0.00 C ATOM 278 NZ LYS A 185 -9.323 0.468 -34.963 1.00 0.00 N ATOM 0 H LYS A 185 -14.460 -1.633 -37.064 1.00 0.00 H new ATOM 0 HA LYS A 185 -11.932 -0.865 -38.375 1.00 0.00 H new ATOM 0 HB2 LYS A 185 -12.477 -3.292 -36.617 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -11.176 -3.250 -37.790 1.00 0.00 H new ATOM 0 HG2 LYS A 185 -11.441 -1.269 -35.492 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -10.489 -2.738 -35.409 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -9.135 -1.930 -37.385 1.00 0.00 H new ATOM 0 HD3 LYS A 185 -10.048 -0.435 -37.369 1.00 0.00 H new ATOM 0 HE2 LYS A 185 -8.438 -1.447 -34.982 1.00 0.00 H new ATOM 0 HE3 LYS A 185 -7.798 -0.337 -36.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 -8.838 1.349 -35.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 -10.331 0.540 -35.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 -9.228 0.314 -33.939 1.00 0.00 H new ATOM 292 N PHE A 186 -12.386 -2.603 -40.223 1.00 0.00 N ATOM 293 CA PHE A 186 -12.799 -3.267 -41.459 1.00 0.00 C ATOM 294 C PHE A 186 -11.644 -4.038 -42.113 1.00 0.00 C ATOM 295 O PHE A 186 -10.609 -3.457 -42.455 1.00 0.00 O ATOM 296 CB PHE A 186 -13.361 -2.214 -42.430 1.00 0.00 C ATOM 297 CG PHE A 186 -13.729 -2.751 -43.803 1.00 0.00 C ATOM 298 CD1 PHE A 186 -14.821 -3.626 -43.949 1.00 0.00 C ATOM 299 CD2 PHE A 186 -12.982 -2.377 -44.938 1.00 0.00 C ATOM 300 CE1 PHE A 186 -15.164 -4.131 -45.216 1.00 0.00 C ATOM 301 CE2 PHE A 186 -13.333 -2.870 -46.208 1.00 0.00 C ATOM 302 CZ PHE A 186 -14.422 -3.749 -46.347 1.00 0.00 C ATOM 0 H PHE A 186 -11.402 -2.333 -40.218 1.00 0.00 H new ATOM 0 HA PHE A 186 -13.569 -3.999 -41.215 1.00 0.00 H new ATOM 0 HB2 PHE A 186 -14.246 -1.762 -41.982 1.00 0.00 H new ATOM 0 HB3 PHE A 186 -12.624 -1.420 -42.551 1.00 0.00 H new ATOM 0 HD1 PHE A 186 -15.399 -3.912 -43.083 1.00 0.00 H new ATOM 0 HD2 PHE A 186 -12.139 -1.711 -44.833 1.00 0.00 H new ATOM 0 HE1 PHE A 186 -15.996 -4.811 -45.320 1.00 0.00 H new ATOM 0 HE2 PHE A 186 -12.765 -2.573 -47.077 1.00 0.00 H new ATOM 0 HZ PHE A 186 -14.688 -4.130 -47.322 1.00 0.00 H new ATOM 312 N CYS A 187 -11.845 -5.340 -42.321 1.00 0.00 N ATOM 313 CA CYS A 187 -10.930 -6.217 -43.037 1.00 0.00 C ATOM 314 C CYS A 187 -11.216 -6.067 -44.541 1.00 0.00 C ATOM 315 O CYS A 187 -12.257 -6.507 -45.040 1.00 0.00 O ATOM 316 CB CYS A 187 -11.126 -7.665 -42.566 1.00 0.00 C ATOM 317 SG CYS A 187 -9.900 -8.730 -43.387 1.00 0.00 S ATOM 0 H CYS A 187 -12.677 -5.824 -41.983 1.00 0.00 H new ATOM 0 HA CYS A 187 -9.892 -5.949 -42.840 1.00 0.00 H new ATOM 0 HB2 CYS A 187 -11.013 -7.727 -41.484 1.00 0.00 H new ATOM 0 HB3 CYS A 187 -12.135 -8.003 -42.801 1.00 0.00 H new ATOM 322 N SER A 188 -10.311 -5.408 -45.268 1.00 0.00 N ATOM 323 CA SER A 188 -10.455 -5.199 -46.715 1.00 0.00 C ATOM 324 C SER A 188 -10.250 -6.497 -47.517 1.00 0.00 C ATOM 325 O SER A 188 -10.771 -6.634 -48.627 1.00 0.00 O ATOM 326 CB SER A 188 -9.464 -4.116 -47.164 1.00 0.00 C ATOM 327 OG SER A 188 -9.675 -3.716 -48.509 1.00 0.00 O ATOM 0 H SER A 188 -9.461 -5.005 -44.875 1.00 0.00 H new ATOM 0 HA SER A 188 -11.476 -4.873 -46.915 1.00 0.00 H new ATOM 0 HB2 SER A 188 -9.557 -3.248 -46.511 1.00 0.00 H new ATOM 0 HB3 SER A 188 -8.446 -4.490 -47.054 1.00 0.00 H new ATOM 0 HG SER A 188 -9.023 -3.025 -48.751 1.00 0.00 H new ATOM 333 N LEU A 189 -9.531 -7.474 -46.949 1.00 0.00 N ATOM 334 CA LEU A 189 -9.269 -8.772 -47.568 1.00 0.00 C ATOM 335 C LEU A 189 -10.538 -9.650 -47.534 1.00 0.00 C ATOM 336 O LEU A 189 -10.957 -10.167 -48.574 1.00 0.00 O ATOM 337 CB LEU A 189 -8.088 -9.479 -46.863 1.00 0.00 C ATOM 338 CG LEU A 189 -6.716 -8.766 -46.790 1.00 0.00 C ATOM 339 CD1 LEU A 189 -6.233 -8.230 -48.140 1.00 0.00 C ATOM 340 CD2 LEU A 189 -6.650 -7.616 -45.780 1.00 0.00 C ATOM 0 H LEU A 189 -9.108 -7.378 -46.026 1.00 0.00 H new ATOM 0 HA LEU A 189 -8.994 -8.612 -48.611 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -8.399 -9.697 -45.841 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -7.934 -10.436 -47.361 1.00 0.00 H new ATOM 0 HG LEU A 189 -6.057 -9.566 -46.453 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -5.266 -7.743 -48.013 1.00 0.00 H new ATOM 0 HD12 LEU A 189 -6.134 -9.055 -48.845 1.00 0.00 H new ATOM 0 HD13 LEU A 189 -6.955 -7.509 -48.525 1.00 0.00 H new ATOM 0 HD21 LEU A 189 -5.654 -7.175 -45.796 1.00 0.00 H new ATOM 0 HD22 LEU A 189 -7.387 -6.858 -46.044 1.00 0.00 H new ATOM 0 HD23 LEU A 189 -6.862 -7.997 -44.781 1.00 0.00 H new ATOM 352 N CYS A 190 -11.161 -9.800 -46.360 1.00 0.00 N ATOM 353 CA CYS A 190 -12.366 -10.604 -46.135 1.00 0.00 C ATOM 354 C CYS A 190 -13.694 -9.841 -46.342 1.00 0.00 C ATOM 355 O CYS A 190 -14.761 -10.466 -46.336 1.00 0.00 O ATOM 356 CB CYS A 190 -12.313 -11.135 -44.692 1.00 0.00 C ATOM 357 SG CYS A 190 -10.835 -12.153 -44.395 1.00 0.00 S ATOM 0 H CYS A 190 -10.827 -9.348 -45.509 1.00 0.00 H new ATOM 0 HA CYS A 190 -12.363 -11.401 -46.879 1.00 0.00 H new ATOM 0 HB2 CYS A 190 -12.321 -10.296 -43.996 1.00 0.00 H new ATOM 0 HB3 CYS A 190 -13.207 -11.725 -44.490 1.00 0.00 H new ATOM 362 N HIS A 191 -13.655 -8.508 -46.488 1.00 0.00 N ATOM 363 CA HIS A 191 -14.831 -7.627 -46.580 1.00 0.00 C ATOM 364 C HIS A 191 -15.754 -7.814 -45.354 1.00 0.00 C ATOM 365 O HIS A 191 -16.940 -8.135 -45.476 1.00 0.00 O ATOM 366 CB HIS A 191 -15.507 -7.768 -47.958 1.00 0.00 C ATOM 367 CG HIS A 191 -16.367 -6.585 -48.331 1.00 0.00 C ATOM 368 ND1 HIS A 191 -17.578 -6.240 -47.759 1.00 0.00 N ATOM 369 CD2 HIS A 191 -16.087 -5.656 -49.295 1.00 0.00 C ATOM 370 CE1 HIS A 191 -18.025 -5.121 -48.360 1.00 0.00 C ATOM 371 NE2 HIS A 191 -17.131 -4.750 -49.298 1.00 0.00 N ATOM 0 H HIS A 191 -12.775 -7.996 -46.547 1.00 0.00 H new ATOM 0 HA HIS A 191 -14.526 -6.582 -46.530 1.00 0.00 H new ATOM 0 HB2 HIS A 191 -14.738 -7.902 -48.719 1.00 0.00 H new ATOM 0 HB3 HIS A 191 -16.121 -8.669 -47.962 1.00 0.00 H new ATOM 0 HD1 HIS A 191 -18.051 -6.746 -47.011 1.00 0.00 H new ATOM 0 HD2 HIS A 191 -15.216 -5.634 -49.933 1.00 0.00 H new ATOM 0 HE1 HIS A 191 -18.946 -4.607 -48.129 1.00 0.00 H new ATOM 380 N ALA A 192 -15.180 -7.640 -44.159 1.00 0.00 N ATOM 381 CA ALA A 192 -15.832 -7.833 -42.856 1.00 0.00 C ATOM 382 C ALA A 192 -15.632 -6.615 -41.933 1.00 0.00 C ATOM 383 O ALA A 192 -14.532 -6.073 -41.860 1.00 0.00 O ATOM 384 CB ALA A 192 -15.252 -9.110 -42.228 1.00 0.00 C ATOM 0 H ALA A 192 -14.207 -7.348 -44.068 1.00 0.00 H new ATOM 0 HA ALA A 192 -16.908 -7.936 -42.993 1.00 0.00 H new ATOM 0 HB1 ALA A 192 -15.717 -9.282 -41.257 1.00 0.00 H new ATOM 0 HB2 ALA A 192 -15.452 -9.960 -42.881 1.00 0.00 H new ATOM 0 HB3 ALA A 192 -14.176 -8.996 -42.100 1.00 0.00 H new ATOM 390 N THR A 193 -16.684 -6.185 -41.227 1.00 0.00 N ATOM 391 CA THR A 193 -16.685 -5.001 -40.334 1.00 0.00 C ATOM 392 C THR A 193 -16.784 -5.408 -38.859 1.00 0.00 C ATOM 393 O THR A 193 -17.477 -6.375 -38.531 1.00 0.00 O ATOM 394 CB THR A 193 -17.875 -4.081 -40.680 1.00 0.00 C ATOM 395 OG1 THR A 193 -17.931 -3.815 -42.068 1.00 0.00 O ATOM 396 CG2 THR A 193 -17.839 -2.723 -39.975 1.00 0.00 C ATOM 0 H THR A 193 -17.587 -6.658 -41.256 1.00 0.00 H new ATOM 0 HA THR A 193 -15.743 -4.474 -40.487 1.00 0.00 H new ATOM 0 HB THR A 193 -18.748 -4.636 -40.337 1.00 0.00 H new ATOM 0 HG1 THR A 193 -18.695 -3.231 -42.259 1.00 0.00 H new ATOM 0 HG21 THR A 193 -18.709 -2.136 -40.271 1.00 0.00 H new ATOM 0 HG22 THR A 193 -17.853 -2.873 -38.895 1.00 0.00 H new ATOM 0 HG23 THR A 193 -16.930 -2.191 -40.256 1.00 0.00 H new ATOM 404 N PHE A 194 -16.129 -4.660 -37.960 1.00 0.00 N ATOM 405 CA PHE A 194 -16.116 -4.913 -36.511 1.00 0.00 C ATOM 406 C PHE A 194 -16.301 -3.604 -35.726 1.00 0.00 C ATOM 407 O PHE A 194 -15.943 -2.528 -36.209 1.00 0.00 O ATOM 408 CB PHE A 194 -14.800 -5.610 -36.100 1.00 0.00 C ATOM 409 CG PHE A 194 -14.252 -6.589 -37.125 1.00 0.00 C ATOM 410 CD1 PHE A 194 -14.908 -7.812 -37.361 1.00 0.00 C ATOM 411 CD2 PHE A 194 -13.143 -6.229 -37.916 1.00 0.00 C ATOM 412 CE1 PHE A 194 -14.482 -8.649 -38.407 1.00 0.00 C ATOM 413 CE2 PHE A 194 -12.715 -7.067 -38.957 1.00 0.00 C ATOM 414 CZ PHE A 194 -13.396 -8.267 -39.213 1.00 0.00 C ATOM 0 H PHE A 194 -15.580 -3.842 -38.226 1.00 0.00 H new ATOM 0 HA PHE A 194 -16.950 -5.573 -36.271 1.00 0.00 H new ATOM 0 HB2 PHE A 194 -14.046 -4.847 -35.907 1.00 0.00 H new ATOM 0 HB3 PHE A 194 -14.964 -6.141 -35.162 1.00 0.00 H new ATOM 0 HD1 PHE A 194 -15.739 -8.107 -36.738 1.00 0.00 H new ATOM 0 HD2 PHE A 194 -12.620 -5.304 -37.720 1.00 0.00 H new ATOM 0 HE1 PHE A 194 -14.989 -9.585 -38.591 1.00 0.00 H new ATOM 0 HE2 PHE A 194 -11.863 -6.789 -39.560 1.00 0.00 H new ATOM 0 HZ PHE A 194 -13.085 -8.899 -40.032 1.00 0.00 H new ATOM 424 N ASN A 195 -16.851 -3.696 -34.512 1.00 0.00 N ATOM 425 CA ASN A 195 -17.140 -2.552 -33.632 1.00 0.00 C ATOM 426 C ASN A 195 -16.762 -2.828 -32.158 1.00 0.00 C ATOM 427 O ASN A 195 -17.304 -2.212 -31.242 1.00 0.00 O ATOM 428 CB ASN A 195 -18.626 -2.168 -33.802 1.00 0.00 C ATOM 429 CG ASN A 195 -18.966 -1.690 -35.205 1.00 0.00 C ATOM 430 OD1 ASN A 195 -19.398 -2.448 -36.063 1.00 0.00 O ATOM 431 ND2 ASN A 195 -18.795 -0.416 -35.484 1.00 0.00 N ATOM 0 H ASN A 195 -17.116 -4.591 -34.100 1.00 0.00 H new ATOM 0 HA ASN A 195 -16.517 -1.707 -33.925 1.00 0.00 H new ATOM 0 HB2 ASN A 195 -19.247 -3.030 -33.559 1.00 0.00 H new ATOM 0 HB3 ASN A 195 -18.876 -1.383 -33.088 1.00 0.00 H new ATOM 0 HD21 ASN A 195 -19.022 -0.062 -36.413 1.00 0.00 H new ATOM 0 HD22 ASN A 195 -18.435 0.218 -34.771 1.00 0.00 H new ATOM 438 N ASP A 196 -15.831 -3.757 -31.918 1.00 0.00 N ATOM 439 CA ASP A 196 -15.319 -4.150 -30.597 1.00 0.00 C ATOM 440 C ASP A 196 -13.830 -4.541 -30.703 1.00 0.00 C ATOM 441 O ASP A 196 -13.402 -5.012 -31.764 1.00 0.00 O ATOM 442 CB ASP A 196 -16.147 -5.323 -30.042 1.00 0.00 C ATOM 443 CG ASP A 196 -17.521 -4.878 -29.531 1.00 0.00 C ATOM 444 OD1 ASP A 196 -17.562 -4.262 -28.440 1.00 0.00 O ATOM 445 OD2 ASP A 196 -18.530 -5.176 -30.215 1.00 0.00 O ATOM 0 H ASP A 196 -15.392 -4.282 -32.674 1.00 0.00 H new ATOM 0 HA ASP A 196 -15.408 -3.306 -29.913 1.00 0.00 H new ATOM 0 HB2 ASP A 196 -16.278 -6.073 -30.822 1.00 0.00 H new ATOM 0 HB3 ASP A 196 -15.598 -5.800 -29.230 1.00 0.00 H new ATOM 450 N PRO A 197 -13.027 -4.364 -29.633 1.00 0.00 N ATOM 451 CA PRO A 197 -11.587 -4.627 -29.676 1.00 0.00 C ATOM 452 C PRO A 197 -11.255 -6.103 -29.892 1.00 0.00 C ATOM 453 O PRO A 197 -10.477 -6.460 -30.777 1.00 0.00 O ATOM 454 CB PRO A 197 -11.035 -4.154 -28.320 1.00 0.00 C ATOM 455 CG PRO A 197 -12.248 -4.130 -27.389 1.00 0.00 C ATOM 456 CD PRO A 197 -13.423 -3.859 -28.324 1.00 0.00 C ATOM 0 HA PRO A 197 -11.140 -4.102 -30.520 1.00 0.00 H new ATOM 0 HB2 PRO A 197 -10.265 -4.831 -27.949 1.00 0.00 H new ATOM 0 HB3 PRO A 197 -10.580 -3.167 -28.401 1.00 0.00 H new ATOM 0 HG2 PRO A 197 -12.366 -5.077 -26.863 1.00 0.00 H new ATOM 0 HG3 PRO A 197 -12.154 -3.353 -26.630 1.00 0.00 H new ATOM 0 HD2 PRO A 197 -14.325 -4.359 -27.971 1.00 0.00 H new ATOM 0 HD3 PRO A 197 -13.646 -2.793 -28.369 1.00 0.00 H new ATOM 464 N VAL A 198 -11.854 -6.969 -29.074 1.00 0.00 N ATOM 465 CA VAL A 198 -11.618 -8.415 -29.108 1.00 0.00 C ATOM 466 C VAL A 198 -12.177 -9.029 -30.391 1.00 0.00 C ATOM 467 O VAL A 198 -11.525 -9.889 -30.971 1.00 0.00 O ATOM 468 CB VAL A 198 -12.162 -9.071 -27.825 1.00 0.00 C ATOM 469 CG1 VAL A 198 -11.959 -10.591 -27.808 1.00 0.00 C ATOM 470 CG2 VAL A 198 -11.434 -8.485 -26.602 1.00 0.00 C ATOM 0 H VAL A 198 -12.525 -6.684 -28.360 1.00 0.00 H new ATOM 0 HA VAL A 198 -10.546 -8.609 -29.128 1.00 0.00 H new ATOM 0 HB VAL A 198 -13.232 -8.865 -27.794 1.00 0.00 H new ATOM 0 HG11 VAL A 198 -12.361 -11.001 -26.882 1.00 0.00 H new ATOM 0 HG12 VAL A 198 -12.477 -11.037 -28.657 1.00 0.00 H new ATOM 0 HG13 VAL A 198 -10.895 -10.817 -27.873 1.00 0.00 H new ATOM 0 HG21 VAL A 198 -11.818 -8.948 -25.693 1.00 0.00 H new ATOM 0 HG22 VAL A 198 -10.365 -8.682 -26.686 1.00 0.00 H new ATOM 0 HG23 VAL A 198 -11.602 -7.409 -26.559 1.00 0.00 H new ATOM 480 N MET A 199 -13.325 -8.556 -30.894 1.00 0.00 N ATOM 481 CA MET A 199 -13.890 -9.028 -32.169 1.00 0.00 C ATOM 482 C MET A 199 -12.924 -8.761 -33.335 1.00 0.00 C ATOM 483 O MET A 199 -12.636 -9.664 -34.123 1.00 0.00 O ATOM 484 CB MET A 199 -15.250 -8.352 -32.410 1.00 0.00 C ATOM 485 CG MET A 199 -15.966 -8.879 -33.660 1.00 0.00 C ATOM 486 SD MET A 199 -16.390 -10.643 -33.616 1.00 0.00 S ATOM 487 CE MET A 199 -17.099 -10.820 -35.275 1.00 0.00 C ATOM 0 H MET A 199 -13.887 -7.840 -30.433 1.00 0.00 H new ATOM 0 HA MET A 199 -14.037 -10.106 -32.112 1.00 0.00 H new ATOM 0 HB2 MET A 199 -15.887 -8.509 -31.540 1.00 0.00 H new ATOM 0 HB3 MET A 199 -15.103 -7.276 -32.508 1.00 0.00 H new ATOM 0 HG2 MET A 199 -16.881 -8.305 -33.805 1.00 0.00 H new ATOM 0 HG3 MET A 199 -15.333 -8.695 -34.528 1.00 0.00 H new ATOM 0 HE1 MET A 199 -17.418 -11.851 -35.426 1.00 0.00 H new ATOM 0 HE2 MET A 199 -17.958 -10.156 -35.376 1.00 0.00 H new ATOM 0 HE3 MET A 199 -16.348 -10.559 -36.021 1.00 0.00 H new ATOM 497 N ALA A 200 -12.380 -7.540 -33.409 1.00 0.00 N ATOM 498 CA ALA A 200 -11.385 -7.163 -34.411 1.00 0.00 C ATOM 499 C ALA A 200 -10.131 -8.048 -34.306 1.00 0.00 C ATOM 500 O ALA A 200 -9.720 -8.679 -35.282 1.00 0.00 O ATOM 501 CB ALA A 200 -11.018 -5.686 -34.206 1.00 0.00 C ATOM 0 H ALA A 200 -12.622 -6.783 -32.769 1.00 0.00 H new ATOM 0 HA ALA A 200 -11.804 -7.307 -35.407 1.00 0.00 H new ATOM 0 HB1 ALA A 200 -10.276 -5.389 -34.947 1.00 0.00 H new ATOM 0 HB2 ALA A 200 -11.910 -5.070 -34.320 1.00 0.00 H new ATOM 0 HB3 ALA A 200 -10.607 -5.549 -33.206 1.00 0.00 H new ATOM 507 N GLN A 201 -9.537 -8.118 -33.110 1.00 0.00 N ATOM 508 CA GLN A 201 -8.324 -8.899 -32.862 1.00 0.00 C ATOM 509 C GLN A 201 -8.500 -10.398 -33.166 1.00 0.00 C ATOM 510 O GLN A 201 -7.618 -11.005 -33.777 1.00 0.00 O ATOM 511 CB GLN A 201 -7.852 -8.690 -31.414 1.00 0.00 C ATOM 512 CG GLN A 201 -7.263 -7.285 -31.196 1.00 0.00 C ATOM 513 CD GLN A 201 -6.851 -7.021 -29.745 1.00 0.00 C ATOM 514 OE1 GLN A 201 -7.398 -7.555 -28.788 1.00 0.00 O ATOM 515 NE2 GLN A 201 -5.859 -6.185 -29.519 1.00 0.00 N ATOM 0 H GLN A 201 -9.887 -7.632 -32.284 1.00 0.00 H new ATOM 0 HA GLN A 201 -7.562 -8.535 -33.551 1.00 0.00 H new ATOM 0 HB2 GLN A 201 -8.691 -8.841 -30.734 1.00 0.00 H new ATOM 0 HB3 GLN A 201 -7.101 -9.440 -31.166 1.00 0.00 H new ATOM 0 HG2 GLN A 201 -6.394 -7.158 -31.842 1.00 0.00 H new ATOM 0 HG3 GLN A 201 -7.998 -6.539 -31.500 1.00 0.00 H new ATOM 0 HE21 GLN A 201 -5.389 -5.729 -30.301 1.00 0.00 H new ATOM 0 HE22 GLN A 201 -5.561 -5.994 -28.562 1.00 0.00 H new ATOM 524 N GLN A 202 -9.637 -10.995 -32.784 1.00 0.00 N ATOM 525 CA GLN A 202 -9.955 -12.402 -33.051 1.00 0.00 C ATOM 526 C GLN A 202 -10.090 -12.673 -34.555 1.00 0.00 C ATOM 527 O GLN A 202 -9.576 -13.686 -35.033 1.00 0.00 O ATOM 528 CB GLN A 202 -11.237 -12.818 -32.307 1.00 0.00 C ATOM 529 CG GLN A 202 -10.999 -13.032 -30.801 1.00 0.00 C ATOM 530 CD GLN A 202 -10.126 -14.252 -30.499 1.00 0.00 C ATOM 531 OE1 GLN A 202 -10.412 -15.376 -30.892 1.00 0.00 O ATOM 532 NE2 GLN A 202 -9.025 -14.087 -29.794 1.00 0.00 N ATOM 0 H GLN A 202 -10.372 -10.506 -32.273 1.00 0.00 H new ATOM 0 HA GLN A 202 -9.126 -13.005 -32.680 1.00 0.00 H new ATOM 0 HB2 GLN A 202 -11.999 -12.052 -32.446 1.00 0.00 H new ATOM 0 HB3 GLN A 202 -11.626 -13.737 -32.745 1.00 0.00 H new ATOM 0 HG2 GLN A 202 -10.527 -12.143 -30.384 1.00 0.00 H new ATOM 0 HG3 GLN A 202 -11.960 -13.147 -30.300 1.00 0.00 H new ATOM 0 HE21 GLN A 202 -8.769 -13.159 -29.457 1.00 0.00 H new ATOM 0 HE22 GLN A 202 -8.429 -14.888 -29.585 1.00 0.00 H new ATOM 541 N HIS A 203 -10.717 -11.770 -35.321 1.00 0.00 N ATOM 542 CA HIS A 203 -10.808 -11.935 -36.774 1.00 0.00 C ATOM 543 C HIS A 203 -9.407 -11.961 -37.406 1.00 0.00 C ATOM 544 O HIS A 203 -9.077 -12.899 -38.129 1.00 0.00 O ATOM 545 CB HIS A 203 -11.674 -10.840 -37.416 1.00 0.00 C ATOM 546 CG HIS A 203 -11.777 -11.041 -38.910 1.00 0.00 C ATOM 547 ND1 HIS A 203 -12.682 -11.849 -39.565 1.00 0.00 N ATOM 548 CD2 HIS A 203 -10.894 -10.582 -39.856 1.00 0.00 C ATOM 549 CE1 HIS A 203 -12.332 -11.900 -40.864 1.00 0.00 C ATOM 550 NE2 HIS A 203 -11.237 -11.153 -41.086 1.00 0.00 N ATOM 0 H HIS A 203 -11.164 -10.927 -34.961 1.00 0.00 H new ATOM 0 HA HIS A 203 -11.293 -12.892 -36.967 1.00 0.00 H new ATOM 0 HB2 HIS A 203 -12.670 -10.853 -36.974 1.00 0.00 H new ATOM 0 HB3 HIS A 203 -11.244 -9.861 -37.206 1.00 0.00 H new ATOM 0 HD1 HIS A 203 -13.478 -12.325 -39.140 1.00 0.00 H new ATOM 0 HD2 HIS A 203 -10.076 -9.899 -39.681 1.00 0.00 H new ATOM 0 HE1 HIS A 203 -12.858 -12.462 -41.622 1.00 0.00 H new ATOM 558 N TYR A 204 -8.564 -10.966 -37.104 1.00 0.00 N ATOM 559 CA TYR A 204 -7.203 -10.839 -37.644 1.00 0.00 C ATOM 560 C TYR A 204 -6.206 -11.960 -37.260 1.00 0.00 C ATOM 561 O TYR A 204 -5.058 -11.924 -37.713 1.00 0.00 O ATOM 562 CB TYR A 204 -6.642 -9.448 -37.287 1.00 0.00 C ATOM 563 CG TYR A 204 -7.429 -8.259 -37.824 1.00 0.00 C ATOM 564 CD1 TYR A 204 -7.874 -8.241 -39.163 1.00 0.00 C ATOM 565 CD2 TYR A 204 -7.689 -7.149 -36.993 1.00 0.00 C ATOM 566 CE1 TYR A 204 -8.604 -7.145 -39.656 1.00 0.00 C ATOM 567 CE2 TYR A 204 -8.416 -6.046 -37.486 1.00 0.00 C ATOM 568 CZ TYR A 204 -8.879 -6.042 -38.819 1.00 0.00 C ATOM 569 OH TYR A 204 -9.569 -4.969 -39.295 1.00 0.00 O ATOM 0 H TYR A 204 -8.813 -10.211 -36.465 1.00 0.00 H new ATOM 0 HA TYR A 204 -7.307 -10.956 -38.723 1.00 0.00 H new ATOM 0 HB2 TYR A 204 -6.590 -9.365 -36.201 1.00 0.00 H new ATOM 0 HB3 TYR A 204 -5.620 -9.382 -37.661 1.00 0.00 H new ATOM 0 HD1 TYR A 204 -7.652 -9.074 -39.813 1.00 0.00 H new ATOM 0 HD2 TYR A 204 -7.330 -7.144 -35.975 1.00 0.00 H new ATOM 0 HE1 TYR A 204 -8.955 -7.147 -40.677 1.00 0.00 H new ATOM 0 HE2 TYR A 204 -8.619 -5.203 -36.842 1.00 0.00 H new ATOM 0 HH TYR A 204 -10.189 -5.263 -39.995 1.00 0.00 H new ATOM 579 N VAL A 205 -6.606 -12.961 -36.459 1.00 0.00 N ATOM 580 CA VAL A 205 -5.749 -14.095 -36.046 1.00 0.00 C ATOM 581 C VAL A 205 -6.387 -15.477 -36.284 1.00 0.00 C ATOM 582 O VAL A 205 -5.663 -16.467 -36.406 1.00 0.00 O ATOM 583 CB VAL A 205 -5.283 -13.899 -34.584 1.00 0.00 C ATOM 584 CG1 VAL A 205 -6.366 -14.227 -33.550 1.00 0.00 C ATOM 585 CG2 VAL A 205 -4.029 -14.711 -34.242 1.00 0.00 C ATOM 0 H VAL A 205 -7.548 -13.010 -36.072 1.00 0.00 H new ATOM 0 HA VAL A 205 -4.873 -14.090 -36.694 1.00 0.00 H new ATOM 0 HB VAL A 205 -5.051 -12.835 -34.526 1.00 0.00 H new ATOM 0 HG11 VAL A 205 -5.971 -14.068 -32.547 1.00 0.00 H new ATOM 0 HG12 VAL A 205 -7.228 -13.579 -33.708 1.00 0.00 H new ATOM 0 HG13 VAL A 205 -6.670 -15.268 -33.659 1.00 0.00 H new ATOM 0 HG21 VAL A 205 -3.751 -14.532 -33.203 1.00 0.00 H new ATOM 0 HG22 VAL A 205 -4.232 -15.772 -34.385 1.00 0.00 H new ATOM 0 HG23 VAL A 205 -3.210 -14.407 -34.894 1.00 0.00 H new ATOM 595 N GLY A 206 -7.719 -15.566 -36.378 1.00 0.00 N ATOM 596 CA GLY A 206 -8.456 -16.819 -36.588 1.00 0.00 C ATOM 597 C GLY A 206 -8.287 -17.453 -37.977 1.00 0.00 C ATOM 598 O GLY A 206 -7.972 -16.781 -38.964 1.00 0.00 O ATOM 0 H GLY A 206 -8.329 -14.751 -36.309 1.00 0.00 H new ATOM 0 HA2 GLY A 206 -8.136 -17.540 -35.836 1.00 0.00 H new ATOM 0 HA3 GLY A 206 -9.516 -16.631 -36.419 1.00 0.00 H new ATOM 602 N LYS A 207 -8.529 -18.771 -38.055 1.00 0.00 N ATOM 603 CA LYS A 207 -8.410 -19.609 -39.270 1.00 0.00 C ATOM 604 C LYS A 207 -9.168 -19.071 -40.490 1.00 0.00 C ATOM 605 O LYS A 207 -8.675 -19.182 -41.613 1.00 0.00 O ATOM 606 CB LYS A 207 -8.853 -21.052 -38.961 1.00 0.00 C ATOM 607 CG LYS A 207 -7.923 -21.753 -37.953 1.00 0.00 C ATOM 608 CD LYS A 207 -8.375 -23.181 -37.609 1.00 0.00 C ATOM 609 CE LYS A 207 -8.294 -24.129 -38.812 1.00 0.00 C ATOM 610 NZ LYS A 207 -8.684 -25.503 -38.433 1.00 0.00 N ATOM 0 H LYS A 207 -8.826 -19.310 -37.241 1.00 0.00 H new ATOM 0 HA LYS A 207 -7.356 -19.585 -39.546 1.00 0.00 H new ATOM 0 HB2 LYS A 207 -9.869 -21.040 -38.565 1.00 0.00 H new ATOM 0 HB3 LYS A 207 -8.879 -21.627 -39.887 1.00 0.00 H new ATOM 0 HG2 LYS A 207 -6.913 -21.786 -38.362 1.00 0.00 H new ATOM 0 HG3 LYS A 207 -7.877 -21.162 -37.038 1.00 0.00 H new ATOM 0 HD2 LYS A 207 -7.755 -23.570 -36.802 1.00 0.00 H new ATOM 0 HD3 LYS A 207 -9.400 -23.155 -37.239 1.00 0.00 H new ATOM 0 HE2 LYS A 207 -8.946 -23.769 -39.608 1.00 0.00 H new ATOM 0 HE3 LYS A 207 -7.279 -24.132 -39.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 -8.620 -26.124 -39.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 -8.045 -25.853 -37.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 -9.661 -25.501 -38.077 1.00 0.00 H new ATOM 624 N LYS A 208 -10.344 -18.465 -40.281 1.00 0.00 N ATOM 625 CA LYS A 208 -11.179 -17.880 -41.349 1.00 0.00 C ATOM 626 C LYS A 208 -10.437 -16.796 -42.140 1.00 0.00 C ATOM 627 O LYS A 208 -10.459 -16.828 -43.370 1.00 0.00 O ATOM 628 CB LYS A 208 -12.496 -17.335 -40.766 1.00 0.00 C ATOM 629 CG LYS A 208 -13.408 -18.463 -40.253 1.00 0.00 C ATOM 630 CD LYS A 208 -14.702 -17.983 -39.572 1.00 0.00 C ATOM 631 CE LYS A 208 -15.719 -17.319 -40.513 1.00 0.00 C ATOM 632 NZ LYS A 208 -15.429 -15.886 -40.741 1.00 0.00 N ATOM 0 H LYS A 208 -10.752 -18.364 -39.352 1.00 0.00 H new ATOM 0 HA LYS A 208 -11.412 -18.679 -42.053 1.00 0.00 H new ATOM 0 HB2 LYS A 208 -12.274 -16.648 -39.949 1.00 0.00 H new ATOM 0 HB3 LYS A 208 -13.022 -16.763 -41.530 1.00 0.00 H new ATOM 0 HG2 LYS A 208 -13.672 -19.108 -41.091 1.00 0.00 H new ATOM 0 HG3 LYS A 208 -12.846 -19.073 -39.546 1.00 0.00 H new ATOM 0 HD2 LYS A 208 -15.179 -18.836 -39.088 1.00 0.00 H new ATOM 0 HD3 LYS A 208 -14.441 -17.275 -38.785 1.00 0.00 H new ATOM 0 HE2 LYS A 208 -15.720 -17.843 -41.469 1.00 0.00 H new ATOM 0 HE3 LYS A 208 -16.719 -17.421 -40.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 208 -16.319 -15.349 -40.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 208 -14.817 -15.530 -39.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 208 -14.947 -15.771 -41.655 1.00 0.00 H new ATOM 646 N HIS A 209 -9.727 -15.892 -41.457 1.00 0.00 N ATOM 647 CA HIS A 209 -8.936 -14.842 -42.111 1.00 0.00 C ATOM 648 C HIS A 209 -7.776 -15.447 -42.899 1.00 0.00 C ATOM 649 O HIS A 209 -7.511 -15.035 -44.026 1.00 0.00 O ATOM 650 CB HIS A 209 -8.434 -13.840 -41.066 1.00 0.00 C ATOM 651 CG HIS A 209 -7.604 -12.717 -41.648 1.00 0.00 C ATOM 652 ND1 HIS A 209 -8.110 -11.583 -42.294 1.00 0.00 N ATOM 653 CD2 HIS A 209 -6.238 -12.660 -41.664 1.00 0.00 C ATOM 654 CE1 HIS A 209 -7.040 -10.880 -42.697 1.00 0.00 C ATOM 655 NE2 HIS A 209 -5.903 -11.502 -42.333 1.00 0.00 N ATOM 0 H HIS A 209 -9.684 -15.867 -40.438 1.00 0.00 H new ATOM 0 HA HIS A 209 -9.572 -14.312 -42.820 1.00 0.00 H new ATOM 0 HB2 HIS A 209 -9.291 -13.414 -40.544 1.00 0.00 H new ATOM 0 HB3 HIS A 209 -7.840 -14.371 -40.323 1.00 0.00 H new ATOM 0 HD2 HIS A 209 -5.556 -13.380 -41.237 1.00 0.00 H new ATOM 0 HE1 HIS A 209 -7.085 -9.946 -43.238 1.00 0.00 H new ATOM 0 HE2 HIS A 209 -4.956 -11.173 -42.520 1.00 0.00 H new ATOM 663 N ARG A 210 -7.106 -16.466 -42.339 1.00 0.00 N ATOM 664 CA ARG A 210 -5.985 -17.151 -43.007 1.00 0.00 C ATOM 665 C ARG A 210 -6.444 -17.784 -44.325 1.00 0.00 C ATOM 666 O ARG A 210 -5.840 -17.543 -45.370 1.00 0.00 O ATOM 667 CB ARG A 210 -5.324 -18.202 -42.089 1.00 0.00 C ATOM 668 CG ARG A 210 -5.053 -17.794 -40.628 1.00 0.00 C ATOM 669 CD ARG A 210 -4.578 -16.350 -40.425 1.00 0.00 C ATOM 670 NE ARG A 210 -4.085 -16.153 -39.051 1.00 0.00 N ATOM 671 CZ ARG A 210 -3.016 -15.471 -38.678 1.00 0.00 C ATOM 672 NH1 ARG A 210 -2.275 -14.785 -39.509 1.00 0.00 N ATOM 673 NH2 ARG A 210 -2.659 -15.473 -37.425 1.00 0.00 N ATOM 0 H ARG A 210 -7.324 -16.838 -41.415 1.00 0.00 H new ATOM 0 HA ARG A 210 -5.229 -16.399 -43.232 1.00 0.00 H new ATOM 0 HB2 ARG A 210 -5.958 -19.088 -42.080 1.00 0.00 H new ATOM 0 HB3 ARG A 210 -4.375 -18.494 -42.539 1.00 0.00 H new ATOM 0 HG2 ARG A 210 -5.966 -17.942 -40.052 1.00 0.00 H new ATOM 0 HG3 ARG A 210 -4.302 -18.467 -40.214 1.00 0.00 H new ATOM 0 HD2 ARG A 210 -3.786 -16.119 -41.138 1.00 0.00 H new ATOM 0 HD3 ARG A 210 -5.398 -15.660 -40.625 1.00 0.00 H new ATOM 0 HE ARG A 210 -4.628 -16.591 -38.306 1.00 0.00 H new ATOM 0 HH11 ARG A 210 -2.512 -14.758 -40.501 1.00 0.00 H new ATOM 0 HH12 ARG A 210 -1.460 -14.277 -39.165 1.00 0.00 H new ATOM 0 HH21 ARG A 210 -3.203 -15.998 -36.741 1.00 0.00 H new ATOM 0 HH22 ARG A 210 -1.835 -14.949 -37.129 1.00 0.00 H new ATOM 687 N LYS A 211 -7.544 -18.547 -44.284 1.00 0.00 N ATOM 688 CA LYS A 211 -8.153 -19.206 -45.452 1.00 0.00 C ATOM 689 C LYS A 211 -8.574 -18.202 -46.531 1.00 0.00 C ATOM 690 O LYS A 211 -8.192 -18.362 -47.691 1.00 0.00 O ATOM 691 CB LYS A 211 -9.329 -20.075 -44.973 1.00 0.00 C ATOM 692 CG LYS A 211 -9.946 -20.900 -46.115 1.00 0.00 C ATOM 693 CD LYS A 211 -10.976 -21.947 -45.658 1.00 0.00 C ATOM 694 CE LYS A 211 -12.216 -21.361 -44.968 1.00 0.00 C ATOM 695 NZ LYS A 211 -11.997 -21.131 -43.522 1.00 0.00 N ATOM 0 H LYS A 211 -8.049 -18.729 -43.417 1.00 0.00 H new ATOM 0 HA LYS A 211 -7.409 -19.845 -45.928 1.00 0.00 H new ATOM 0 HB2 LYS A 211 -8.985 -20.747 -44.187 1.00 0.00 H new ATOM 0 HB3 LYS A 211 -10.095 -19.436 -44.534 1.00 0.00 H new ATOM 0 HG2 LYS A 211 -10.425 -20.221 -46.820 1.00 0.00 H new ATOM 0 HG3 LYS A 211 -9.146 -21.407 -46.654 1.00 0.00 H new ATOM 0 HD2 LYS A 211 -11.297 -22.525 -46.525 1.00 0.00 H new ATOM 0 HD3 LYS A 211 -10.490 -22.642 -44.974 1.00 0.00 H new ATOM 0 HE2 LYS A 211 -12.485 -20.420 -45.447 1.00 0.00 H new ATOM 0 HE3 LYS A 211 -13.059 -22.039 -45.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 211 -12.598 -21.778 -42.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 211 -10.998 -21.306 -43.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 211 -12.240 -20.148 -43.286 1.00 0.00 H new ATOM 709 N GLN A 212 -9.323 -17.158 -46.166 1.00 0.00 N ATOM 710 CA GLN A 212 -9.771 -16.134 -47.118 1.00 0.00 C ATOM 711 C GLN A 212 -8.607 -15.311 -47.695 1.00 0.00 C ATOM 712 O GLN A 212 -8.621 -15.002 -48.886 1.00 0.00 O ATOM 713 CB GLN A 212 -10.833 -15.222 -46.482 1.00 0.00 C ATOM 714 CG GLN A 212 -12.276 -15.732 -46.645 1.00 0.00 C ATOM 715 CD GLN A 212 -12.616 -16.978 -45.826 1.00 0.00 C ATOM 716 OE1 GLN A 212 -12.243 -18.099 -46.149 1.00 0.00 O ATOM 717 NE2 GLN A 212 -13.382 -16.846 -44.763 1.00 0.00 N ATOM 0 H GLN A 212 -9.635 -16.998 -45.208 1.00 0.00 H new ATOM 0 HA GLN A 212 -10.225 -16.661 -47.958 1.00 0.00 H new ATOM 0 HB2 GLN A 212 -10.615 -15.114 -45.420 1.00 0.00 H new ATOM 0 HB3 GLN A 212 -10.757 -14.229 -46.926 1.00 0.00 H new ATOM 0 HG2 GLN A 212 -12.962 -14.933 -46.365 1.00 0.00 H new ATOM 0 HG3 GLN A 212 -12.452 -15.949 -47.699 1.00 0.00 H new ATOM 0 HE21 GLN A 212 -13.703 -15.921 -44.477 1.00 0.00 H new ATOM 0 HE22 GLN A 212 -13.654 -17.669 -44.225 1.00 0.00 H new ATOM 726 N GLU A 213 -7.575 -14.993 -46.906 1.00 0.00 N ATOM 727 CA GLU A 213 -6.384 -14.286 -47.395 1.00 0.00 C ATOM 728 C GLU A 213 -5.656 -15.134 -48.453 1.00 0.00 C ATOM 729 O GLU A 213 -5.334 -14.628 -49.529 1.00 0.00 O ATOM 730 CB GLU A 213 -5.477 -13.918 -46.210 1.00 0.00 C ATOM 731 CG GLU A 213 -4.287 -13.044 -46.618 1.00 0.00 C ATOM 732 CD GLU A 213 -3.455 -12.653 -45.390 1.00 0.00 C ATOM 733 OE1 GLU A 213 -3.807 -11.645 -44.731 1.00 0.00 O ATOM 734 OE2 GLU A 213 -2.458 -13.361 -45.111 1.00 0.00 O ATOM 0 H GLU A 213 -7.541 -15.218 -45.912 1.00 0.00 H new ATOM 0 HA GLU A 213 -6.680 -13.357 -47.883 1.00 0.00 H new ATOM 0 HB2 GLU A 213 -6.066 -13.393 -45.458 1.00 0.00 H new ATOM 0 HB3 GLU A 213 -5.107 -14.832 -45.745 1.00 0.00 H new ATOM 0 HG2 GLU A 213 -3.662 -13.582 -47.331 1.00 0.00 H new ATOM 0 HG3 GLU A 213 -4.645 -12.146 -47.122 1.00 0.00 H new ATOM 741 N THR A 214 -5.456 -16.436 -48.201 1.00 0.00 N ATOM 742 CA THR A 214 -4.863 -17.367 -49.180 1.00 0.00 C ATOM 743 C THR A 214 -5.731 -17.464 -50.442 1.00 0.00 C ATOM 744 O THR A 214 -5.196 -17.410 -51.551 1.00 0.00 O ATOM 745 CB THR A 214 -4.653 -18.764 -48.565 1.00 0.00 C ATOM 746 OG1 THR A 214 -3.752 -18.688 -47.480 1.00 0.00 O ATOM 747 CG2 THR A 214 -4.067 -19.784 -49.545 1.00 0.00 C ATOM 0 H THR A 214 -5.700 -16.876 -47.314 1.00 0.00 H new ATOM 0 HA THR A 214 -3.888 -16.969 -49.462 1.00 0.00 H new ATOM 0 HB THR A 214 -5.646 -19.094 -48.261 1.00 0.00 H new ATOM 0 HG1 THR A 214 -4.218 -18.340 -46.691 1.00 0.00 H new ATOM 0 HG21 THR A 214 -3.947 -20.744 -49.043 1.00 0.00 H new ATOM 0 HG22 THR A 214 -4.740 -19.901 -50.394 1.00 0.00 H new ATOM 0 HG23 THR A 214 -3.096 -19.435 -49.897 1.00 0.00 H new ATOM 755 N LYS A 215 -7.065 -17.553 -50.302 1.00 0.00 N ATOM 756 CA LYS A 215 -8.011 -17.589 -51.433 1.00 0.00 C ATOM 757 C LYS A 215 -7.880 -16.336 -52.303 1.00 0.00 C ATOM 758 O LYS A 215 -7.761 -16.449 -53.523 1.00 0.00 O ATOM 759 CB LYS A 215 -9.437 -17.803 -50.884 1.00 0.00 C ATOM 760 CG LYS A 215 -10.553 -17.930 -51.937 1.00 0.00 C ATOM 761 CD LYS A 215 -11.148 -16.581 -52.387 1.00 0.00 C ATOM 762 CE LYS A 215 -12.363 -16.760 -53.306 1.00 0.00 C ATOM 763 NZ LYS A 215 -13.534 -17.295 -52.578 1.00 0.00 N ATOM 0 H LYS A 215 -7.522 -17.603 -49.392 1.00 0.00 H new ATOM 0 HA LYS A 215 -7.777 -18.425 -52.092 1.00 0.00 H new ATOM 0 HB2 LYS A 215 -9.438 -18.705 -50.272 1.00 0.00 H new ATOM 0 HB3 LYS A 215 -9.680 -16.970 -50.224 1.00 0.00 H new ATOM 0 HG2 LYS A 215 -10.157 -18.450 -52.810 1.00 0.00 H new ATOM 0 HG3 LYS A 215 -11.352 -18.550 -51.531 1.00 0.00 H new ATOM 0 HD2 LYS A 215 -11.440 -16.004 -51.510 1.00 0.00 H new ATOM 0 HD3 LYS A 215 -10.383 -16.004 -52.907 1.00 0.00 H new ATOM 0 HE2 LYS A 215 -12.622 -15.801 -53.755 1.00 0.00 H new ATOM 0 HE3 LYS A 215 -12.104 -17.435 -54.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 215 -14.368 -17.274 -53.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 215 -13.344 -18.275 -52.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 215 -13.715 -16.713 -51.735 1.00 0.00 H new ATOM 777 N LEU A 216 -7.865 -15.150 -51.691 1.00 0.00 N ATOM 778 CA LEU A 216 -7.713 -13.869 -52.387 1.00 0.00 C ATOM 779 C LEU A 216 -6.354 -13.764 -53.099 1.00 0.00 C ATOM 780 O LEU A 216 -6.307 -13.377 -54.268 1.00 0.00 O ATOM 781 CB LEU A 216 -7.933 -12.732 -51.374 1.00 0.00 C ATOM 782 CG LEU A 216 -7.791 -11.313 -51.957 1.00 0.00 C ATOM 783 CD1 LEU A 216 -8.761 -11.034 -53.108 1.00 0.00 C ATOM 784 CD2 LEU A 216 -8.062 -10.295 -50.853 1.00 0.00 C ATOM 0 H LEU A 216 -7.960 -15.050 -50.680 1.00 0.00 H new ATOM 0 HA LEU A 216 -8.462 -13.791 -53.175 1.00 0.00 H new ATOM 0 HB2 LEU A 216 -8.929 -12.835 -50.944 1.00 0.00 H new ATOM 0 HB3 LEU A 216 -7.220 -12.848 -50.558 1.00 0.00 H new ATOM 0 HG LEU A 216 -6.777 -11.233 -52.350 1.00 0.00 H new ATOM 0 HD11 LEU A 216 -8.609 -10.018 -53.473 1.00 0.00 H new ATOM 0 HD12 LEU A 216 -8.579 -11.742 -53.917 1.00 0.00 H new ATOM 0 HD13 LEU A 216 -9.786 -11.143 -52.754 1.00 0.00 H new ATOM 0 HD21 LEU A 216 -7.964 -9.287 -51.256 1.00 0.00 H new ATOM 0 HD22 LEU A 216 -9.072 -10.436 -50.469 1.00 0.00 H new ATOM 0 HD23 LEU A 216 -7.344 -10.434 -50.045 1.00 0.00 H new ATOM 796 N LYS A 217 -5.256 -14.148 -52.431 1.00 0.00 N ATOM 797 CA LYS A 217 -3.903 -14.161 -53.019 1.00 0.00 C ATOM 798 C LYS A 217 -3.840 -15.072 -54.248 1.00 0.00 C ATOM 799 O LYS A 217 -3.347 -14.648 -55.293 1.00 0.00 O ATOM 800 CB LYS A 217 -2.869 -14.580 -51.959 1.00 0.00 C ATOM 801 CG LYS A 217 -2.568 -13.440 -50.974 1.00 0.00 C ATOM 802 CD LYS A 217 -1.676 -13.926 -49.826 1.00 0.00 C ATOM 803 CE LYS A 217 -1.307 -12.755 -48.912 1.00 0.00 C ATOM 804 NZ LYS A 217 -0.499 -13.209 -47.760 1.00 0.00 N ATOM 0 H LYS A 217 -5.279 -14.461 -51.460 1.00 0.00 H new ATOM 0 HA LYS A 217 -3.663 -13.152 -53.354 1.00 0.00 H new ATOM 0 HB2 LYS A 217 -3.241 -15.446 -51.411 1.00 0.00 H new ATOM 0 HB3 LYS A 217 -1.947 -14.887 -52.452 1.00 0.00 H new ATOM 0 HG2 LYS A 217 -2.076 -12.621 -51.499 1.00 0.00 H new ATOM 0 HG3 LYS A 217 -3.501 -13.046 -50.572 1.00 0.00 H new ATOM 0 HD2 LYS A 217 -2.195 -14.695 -49.253 1.00 0.00 H new ATOM 0 HD3 LYS A 217 -0.771 -14.383 -50.227 1.00 0.00 H new ATOM 0 HE2 LYS A 217 -0.750 -12.009 -49.479 1.00 0.00 H new ATOM 0 HE3 LYS A 217 -2.215 -12.270 -48.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 217 0.273 -12.533 -47.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 217 -1.102 -13.267 -46.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 217 -0.099 -14.147 -47.965 1.00 0.00 H new ATOM 818 N LEU A 218 -4.380 -16.291 -54.151 1.00 0.00 N ATOM 819 CA LEU A 218 -4.455 -17.251 -55.259 1.00 0.00 C ATOM 820 C LEU A 218 -5.286 -16.684 -56.421 1.00 0.00 C ATOM 821 O LEU A 218 -4.836 -16.711 -57.567 1.00 0.00 O ATOM 822 CB LEU A 218 -5.011 -18.584 -54.708 1.00 0.00 C ATOM 823 CG LEU A 218 -5.093 -19.794 -55.664 1.00 0.00 C ATOM 824 CD1 LEU A 218 -6.268 -19.735 -56.644 1.00 0.00 C ATOM 825 CD2 LEU A 218 -3.801 -20.019 -56.452 1.00 0.00 C ATOM 0 H LEU A 218 -4.785 -16.646 -53.285 1.00 0.00 H new ATOM 0 HA LEU A 218 -3.464 -17.438 -55.673 1.00 0.00 H new ATOM 0 HB2 LEU A 218 -4.396 -18.874 -53.856 1.00 0.00 H new ATOM 0 HB3 LEU A 218 -6.014 -18.393 -54.326 1.00 0.00 H new ATOM 0 HG LEU A 218 -5.256 -20.638 -54.994 1.00 0.00 H new ATOM 0 HD11 LEU A 218 -6.256 -20.620 -57.280 1.00 0.00 H new ATOM 0 HD12 LEU A 218 -7.205 -19.701 -56.087 1.00 0.00 H new ATOM 0 HD13 LEU A 218 -6.181 -18.842 -57.263 1.00 0.00 H new ATOM 0 HD21 LEU A 218 -3.920 -20.883 -57.106 1.00 0.00 H new ATOM 0 HD22 LEU A 218 -3.583 -19.136 -57.053 1.00 0.00 H new ATOM 0 HD23 LEU A 218 -2.979 -20.199 -55.759 1.00 0.00 H new ATOM 837 N MET A 219 -6.471 -16.134 -56.131 1.00 0.00 N ATOM 838 CA MET A 219 -7.357 -15.521 -57.128 1.00 0.00 C ATOM 839 C MET A 219 -6.650 -14.388 -57.891 1.00 0.00 C ATOM 840 O MET A 219 -6.662 -14.382 -59.122 1.00 0.00 O ATOM 841 CB MET A 219 -8.651 -15.057 -56.433 1.00 0.00 C ATOM 842 CG MET A 219 -9.729 -14.550 -57.400 1.00 0.00 C ATOM 843 SD MET A 219 -9.515 -12.849 -58.002 1.00 0.00 S ATOM 844 CE MET A 219 -10.931 -12.753 -59.131 1.00 0.00 C ATOM 0 H MET A 219 -6.847 -16.102 -55.183 1.00 0.00 H new ATOM 0 HA MET A 219 -7.623 -16.260 -57.884 1.00 0.00 H new ATOM 0 HB2 MET A 219 -9.058 -15.886 -55.853 1.00 0.00 H new ATOM 0 HB3 MET A 219 -8.408 -14.263 -55.727 1.00 0.00 H new ATOM 0 HG2 MET A 219 -9.762 -15.218 -58.260 1.00 0.00 H new ATOM 0 HG3 MET A 219 -10.697 -14.621 -56.904 1.00 0.00 H new ATOM 0 HE1 MET A 219 -10.959 -11.768 -59.596 1.00 0.00 H new ATOM 0 HE2 MET A 219 -10.833 -13.516 -59.903 1.00 0.00 H new ATOM 0 HE3 MET A 219 -11.853 -12.917 -58.573 1.00 0.00 H new ATOM 854 N ALA A 220 -5.987 -13.464 -57.186 1.00 0.00 N ATOM 855 CA ALA A 220 -5.236 -12.366 -57.798 1.00 0.00 C ATOM 856 C ALA A 220 -4.054 -12.869 -58.655 1.00 0.00 C ATOM 857 O ALA A 220 -3.871 -12.420 -59.791 1.00 0.00 O ATOM 858 CB ALA A 220 -4.765 -11.425 -56.681 1.00 0.00 C ATOM 0 H ALA A 220 -5.957 -13.459 -56.166 1.00 0.00 H new ATOM 0 HA ALA A 220 -5.888 -11.827 -58.486 1.00 0.00 H new ATOM 0 HB1 ALA A 220 -4.202 -10.598 -57.115 1.00 0.00 H new ATOM 0 HB2 ALA A 220 -5.630 -11.034 -56.146 1.00 0.00 H new ATOM 0 HB3 ALA A 220 -4.127 -11.974 -55.988 1.00 0.00 H new ATOM 864 N ARG A 221 -3.271 -13.824 -58.129 1.00 0.00 N ATOM 865 CA ARG A 221 -2.113 -14.449 -58.797 1.00 0.00 C ATOM 866 C ARG A 221 -2.496 -15.140 -60.110 1.00 0.00 C ATOM 867 O ARG A 221 -1.851 -14.918 -61.134 1.00 0.00 O ATOM 868 CB ARG A 221 -1.471 -15.433 -57.798 1.00 0.00 C ATOM 869 CG ARG A 221 -0.256 -16.203 -58.337 1.00 0.00 C ATOM 870 CD ARG A 221 0.245 -17.181 -57.267 1.00 0.00 C ATOM 871 NE ARG A 221 1.364 -18.003 -57.760 1.00 0.00 N ATOM 872 CZ ARG A 221 1.853 -19.084 -57.173 1.00 0.00 C ATOM 873 NH1 ARG A 221 1.385 -19.548 -56.042 1.00 0.00 N ATOM 874 NH2 ARG A 221 2.843 -19.738 -57.717 1.00 0.00 N ATOM 0 H ARG A 221 -3.431 -14.197 -57.193 1.00 0.00 H new ATOM 0 HA ARG A 221 -1.396 -13.678 -59.079 1.00 0.00 H new ATOM 0 HB2 ARG A 221 -1.167 -14.879 -56.910 1.00 0.00 H new ATOM 0 HB3 ARG A 221 -2.227 -16.152 -57.482 1.00 0.00 H new ATOM 0 HG2 ARG A 221 -0.528 -16.746 -59.242 1.00 0.00 H new ATOM 0 HG3 ARG A 221 0.538 -15.507 -58.609 1.00 0.00 H new ATOM 0 HD2 ARG A 221 0.563 -16.624 -56.386 1.00 0.00 H new ATOM 0 HD3 ARG A 221 -0.573 -17.830 -56.956 1.00 0.00 H new ATOM 0 HE ARG A 221 1.802 -17.712 -58.634 1.00 0.00 H new ATOM 0 HH11 ARG A 221 0.612 -19.073 -55.577 1.00 0.00 H new ATOM 0 HH12 ARG A 221 1.793 -20.385 -55.626 1.00 0.00 H new ATOM 0 HH21 ARG A 221 3.243 -19.417 -58.598 1.00 0.00 H new ATOM 0 HH22 ARG A 221 3.216 -20.570 -57.261 1.00 0.00 H new ATOM 888 N TYR A 222 -3.537 -15.974 -60.083 1.00 0.00 N ATOM 889 CA TYR A 222 -4.009 -16.735 -61.245 1.00 0.00 C ATOM 890 C TYR A 222 -4.827 -15.884 -62.236 1.00 0.00 C ATOM 891 O TYR A 222 -4.682 -16.037 -63.450 1.00 0.00 O ATOM 892 CB TYR A 222 -4.816 -17.937 -60.726 1.00 0.00 C ATOM 893 CG TYR A 222 -5.300 -18.947 -61.759 1.00 0.00 C ATOM 894 CD1 TYR A 222 -4.504 -19.300 -62.871 1.00 0.00 C ATOM 895 CD2 TYR A 222 -6.544 -19.583 -61.566 1.00 0.00 C ATOM 896 CE1 TYR A 222 -4.958 -20.264 -63.793 1.00 0.00 C ATOM 897 CE2 TYR A 222 -6.997 -20.552 -62.482 1.00 0.00 C ATOM 898 CZ TYR A 222 -6.207 -20.894 -63.601 1.00 0.00 C ATOM 899 OH TYR A 222 -6.651 -21.834 -64.481 1.00 0.00 O ATOM 0 H TYR A 222 -4.086 -16.144 -59.240 1.00 0.00 H new ATOM 0 HA TYR A 222 -3.146 -17.075 -61.817 1.00 0.00 H new ATOM 0 HB2 TYR A 222 -4.203 -18.467 -59.997 1.00 0.00 H new ATOM 0 HB3 TYR A 222 -5.687 -17.555 -60.193 1.00 0.00 H new ATOM 0 HD1 TYR A 222 -3.543 -18.829 -63.015 1.00 0.00 H new ATOM 0 HD2 TYR A 222 -7.152 -19.326 -60.711 1.00 0.00 H new ATOM 0 HE1 TYR A 222 -4.350 -20.521 -64.648 1.00 0.00 H new ATOM 0 HE2 TYR A 222 -7.951 -21.035 -62.328 1.00 0.00 H new ATOM 0 HH TYR A 222 -7.528 -22.163 -64.193 1.00 0.00 H new ATOM 909 N GLY A 223 -5.659 -14.961 -61.740 1.00 0.00 N ATOM 910 CA GLY A 223 -6.511 -14.076 -62.548 1.00 0.00 C ATOM 911 C GLY A 223 -5.764 -13.102 -63.471 1.00 0.00 C ATOM 912 O GLY A 223 -6.322 -12.676 -64.484 1.00 0.00 O ATOM 0 H GLY A 223 -5.762 -14.803 -60.738 1.00 0.00 H new ATOM 0 HA2 GLY A 223 -7.171 -14.693 -63.158 1.00 0.00 H new ATOM 0 HA3 GLY A 223 -7.145 -13.498 -61.876 1.00 0.00 H new ATOM 916 N ARG A 224 -4.506 -12.767 -63.146 1.00 0.00 N ATOM 917 CA ARG A 224 -3.624 -11.849 -63.902 1.00 0.00 C ATOM 918 C ARG A 224 -2.280 -12.498 -64.287 1.00 0.00 C ATOM 919 O ARG A 224 -1.287 -11.801 -64.506 1.00 0.00 O ATOM 920 CB ARG A 224 -3.454 -10.535 -63.105 1.00 0.00 C ATOM 921 CG ARG A 224 -4.718 -9.655 -63.013 1.00 0.00 C ATOM 922 CD ARG A 224 -4.926 -8.720 -64.218 1.00 0.00 C ATOM 923 NE ARG A 224 -5.287 -9.426 -65.464 1.00 0.00 N ATOM 924 CZ ARG A 224 -6.508 -9.735 -65.876 1.00 0.00 C ATOM 925 NH1 ARG A 224 -7.584 -9.464 -65.181 1.00 0.00 N ATOM 926 NH2 ARG A 224 -6.681 -10.319 -67.031 1.00 0.00 N ATOM 0 H ARG A 224 -4.051 -13.142 -62.314 1.00 0.00 H new ATOM 0 HA ARG A 224 -4.098 -11.614 -64.855 1.00 0.00 H new ATOM 0 HB2 ARG A 224 -3.128 -10.781 -62.095 1.00 0.00 H new ATOM 0 HB3 ARG A 224 -2.656 -9.951 -63.564 1.00 0.00 H new ATOM 0 HG2 ARG A 224 -5.590 -10.301 -62.914 1.00 0.00 H new ATOM 0 HG3 ARG A 224 -4.663 -9.053 -62.106 1.00 0.00 H new ATOM 0 HD2 ARG A 224 -5.710 -8.002 -63.978 1.00 0.00 H new ATOM 0 HD3 ARG A 224 -4.012 -8.150 -64.386 1.00 0.00 H new ATOM 0 HE ARG A 224 -4.516 -9.705 -66.071 1.00 0.00 H new ATOM 0 HH11 ARG A 224 -7.504 -8.994 -64.279 1.00 0.00 H new ATOM 0 HH12 ARG A 224 -8.503 -9.722 -65.542 1.00 0.00 H new ATOM 0 HH21 ARG A 224 -5.876 -10.538 -67.617 1.00 0.00 H new ATOM 0 HH22 ARG A 224 -7.621 -10.556 -67.347 1.00 0.00 H new ATOM 940 N LEU A 225 -2.243 -13.832 -64.376 1.00 0.00 N ATOM 941 CA LEU A 225 -1.065 -14.625 -64.757 1.00 0.00 C ATOM 942 C LEU A 225 -0.503 -14.166 -66.119 1.00 0.00 C ATOM 943 O LEU A 225 -1.232 -14.108 -67.114 1.00 0.00 O ATOM 944 CB LEU A 225 -1.468 -16.115 -64.726 1.00 0.00 C ATOM 945 CG LEU A 225 -0.323 -17.134 -64.906 1.00 0.00 C ATOM 946 CD1 LEU A 225 -0.760 -18.490 -64.344 1.00 0.00 C ATOM 947 CD2 LEU A 225 0.070 -17.372 -66.369 1.00 0.00 C ATOM 0 H LEU A 225 -3.059 -14.411 -64.178 1.00 0.00 H new ATOM 0 HA LEU A 225 -0.248 -14.475 -64.051 1.00 0.00 H new ATOM 0 HB2 LEU A 225 -1.960 -16.317 -63.775 1.00 0.00 H new ATOM 0 HB3 LEU A 225 -2.206 -16.287 -65.510 1.00 0.00 H new ATOM 0 HG LEU A 225 0.535 -16.711 -64.383 1.00 0.00 H new ATOM 0 HD11 LEU A 225 0.046 -19.213 -64.469 1.00 0.00 H new ATOM 0 HD12 LEU A 225 -0.993 -18.387 -63.284 1.00 0.00 H new ATOM 0 HD13 LEU A 225 -1.645 -18.837 -64.878 1.00 0.00 H new ATOM 0 HD21 LEU A 225 0.880 -18.100 -66.414 1.00 0.00 H new ATOM 0 HD22 LEU A 225 -0.790 -17.752 -66.920 1.00 0.00 H new ATOM 0 HD23 LEU A 225 0.400 -16.433 -66.814 1.00 0.00 H new ATOM 959 N ALA A 226 0.794 -13.846 -66.156 1.00 0.00 N ATOM 960 CA ALA A 226 1.521 -13.381 -67.342 1.00 0.00 C ATOM 961 C ALA A 226 3.020 -13.756 -67.285 1.00 0.00 C ATOM 962 O ALA A 226 3.523 -14.218 -66.257 1.00 0.00 O ATOM 963 CB ALA A 226 1.334 -11.858 -67.450 1.00 0.00 C ATOM 0 H ALA A 226 1.389 -13.906 -65.330 1.00 0.00 H new ATOM 0 HA ALA A 226 1.119 -13.873 -68.228 1.00 0.00 H new ATOM 0 HB1 ALA A 226 1.866 -11.487 -68.326 1.00 0.00 H new ATOM 0 HB2 ALA A 226 0.273 -11.628 -67.546 1.00 0.00 H new ATOM 0 HB3 ALA A 226 1.730 -11.378 -66.555 1.00 0.00 H new ATOM 969 N ASP A 227 3.742 -13.541 -68.390 1.00 0.00 N ATOM 970 CA ASP A 227 5.180 -13.821 -68.535 1.00 0.00 C ATOM 971 C ASP A 227 5.864 -12.829 -69.496 1.00 0.00 C ATOM 972 O ASP A 227 5.295 -12.427 -70.522 1.00 0.00 O ATOM 973 CB ASP A 227 5.368 -15.270 -69.018 1.00 0.00 C ATOM 974 CG ASP A 227 6.849 -15.662 -69.093 1.00 0.00 C ATOM 975 OD1 ASP A 227 7.400 -16.082 -68.048 1.00 0.00 O ATOM 976 OD2 ASP A 227 7.438 -15.522 -70.192 1.00 0.00 O ATOM 0 H ASP A 227 3.330 -13.154 -69.239 1.00 0.00 H new ATOM 0 HA ASP A 227 5.656 -13.696 -67.563 1.00 0.00 H new ATOM 0 HB2 ASP A 227 4.847 -15.948 -68.342 1.00 0.00 H new ATOM 0 HB3 ASP A 227 4.912 -15.387 -70.001 1.00 0.00 H new TER 981 ASP A 227 HETATM 982 ZN ZN A 301 -10.011 -10.897 -42.730 1.00 0.00 ZN