USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=9 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 -33:sc= 0.0797 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= -0.0713 X(o=-0.071,f=-0.071) USER MOD Single : A 176 GLN : amide:sc= 0.152 K(o=0.15,f=-2.9!) USER MOD Single : A 177 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 180 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 185 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 188 SER OG : rot 180:sc= 0 USER MOD Single : A 191 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 193 THR OG1 : rot 180:sc= 0 USER MOD Single : A 195 ASN : amide:sc= 0.346 X(o=0.35,f=-0.054) USER MOD Single : A 199 MET CE :methyl 176:sc= 0 (180deg=-0.0235) USER MOD Single : A 201 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 202 GLN : amide:sc=-0.00511 X(o=-0.0051,f=-0.18) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 211 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 212 GLN : amide:sc= -0.0152 X(o=-0.015,f=-0.091) USER MOD Single : A 214 THR OG1 : rot 82:sc= 0.097 USER MOD Single : A 215 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0134) USER MOD Single : A 217 LYS NZ :NH3+ 180:sc= 0 (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 -15.235 4.401 -18.872 1.00 0.00 N ATOM 2 CA SER A 168 -14.632 5.689 -19.249 1.00 0.00 C ATOM 3 C SER A 168 -13.327 6.018 -18.501 1.00 0.00 C ATOM 4 O SER A 168 -12.663 7.011 -18.809 1.00 0.00 O ATOM 5 CB SER A 168 -15.657 6.817 -19.064 1.00 0.00 C ATOM 6 OG SER A 168 -16.115 6.880 -17.718 1.00 0.00 O ATOM 0 HA SER A 168 -14.352 5.600 -20.299 1.00 0.00 H new ATOM 0 HB2 SER A 168 -15.207 7.770 -19.343 1.00 0.00 H new ATOM 0 HB3 SER A 168 -16.503 6.656 -19.732 1.00 0.00 H new ATOM 0 HG SER A 168 -16.131 5.978 -17.335 1.00 0.00 H new ATOM 12 N THR A 169 -12.945 5.183 -17.529 1.00 0.00 N ATOM 13 CA THR A 169 -11.747 5.323 -16.668 1.00 0.00 C ATOM 14 C THR A 169 -10.769 4.142 -16.782 1.00 0.00 C ATOM 15 O THR A 169 -9.749 4.104 -16.090 1.00 0.00 O ATOM 16 CB THR A 169 -12.165 5.501 -15.197 1.00 0.00 C ATOM 17 OG1 THR A 169 -12.979 4.415 -14.790 1.00 0.00 O ATOM 18 CG2 THR A 169 -12.957 6.791 -14.971 1.00 0.00 C ATOM 0 H THR A 169 -13.484 4.347 -17.303 1.00 0.00 H new ATOM 0 HA THR A 169 -11.221 6.209 -17.024 1.00 0.00 H new ATOM 0 HB THR A 169 -11.245 5.545 -14.614 1.00 0.00 H new ATOM 0 HG1 THR A 169 -13.239 4.535 -13.853 1.00 0.00 H new ATOM 0 HG21 THR A 169 -13.229 6.871 -13.919 1.00 0.00 H new ATOM 0 HG22 THR A 169 -12.345 7.648 -15.254 1.00 0.00 H new ATOM 0 HG23 THR A 169 -13.861 6.774 -15.579 1.00 0.00 H new ATOM 26 N LYS A 170 -11.051 3.174 -17.668 1.00 0.00 N ATOM 27 CA LYS A 170 -10.233 1.966 -17.900 1.00 0.00 C ATOM 28 C LYS A 170 -8.844 2.261 -18.490 1.00 0.00 C ATOM 29 O LYS A 170 -7.941 1.442 -18.341 1.00 0.00 O ATOM 30 CB LYS A 170 -11.000 0.970 -18.797 1.00 0.00 C ATOM 31 CG LYS A 170 -12.119 0.180 -18.090 1.00 0.00 C ATOM 32 CD LYS A 170 -13.320 1.020 -17.626 1.00 0.00 C ATOM 33 CE LYS A 170 -14.445 0.111 -17.123 1.00 0.00 C ATOM 34 NZ LYS A 170 -15.608 0.906 -16.673 1.00 0.00 N ATOM 0 H LYS A 170 -11.879 3.208 -18.262 1.00 0.00 H new ATOM 0 HA LYS A 170 -10.054 1.523 -16.920 1.00 0.00 H new ATOM 0 HB2 LYS A 170 -11.436 1.519 -19.632 1.00 0.00 H new ATOM 0 HB3 LYS A 170 -10.287 0.261 -19.219 1.00 0.00 H new ATOM 0 HG2 LYS A 170 -12.478 -0.595 -18.767 1.00 0.00 H new ATOM 0 HG3 LYS A 170 -11.693 -0.326 -17.223 1.00 0.00 H new ATOM 0 HD2 LYS A 170 -13.011 1.700 -16.832 1.00 0.00 H new ATOM 0 HD3 LYS A 170 -13.682 1.635 -18.450 1.00 0.00 H new ATOM 0 HE2 LYS A 170 -14.751 -0.569 -17.918 1.00 0.00 H new ATOM 0 HE3 LYS A 170 -14.080 -0.504 -16.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -16.356 0.267 -16.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 -15.318 1.537 -15.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -15.968 1.474 -17.466 1.00 0.00 H new ATOM 48 N VAL A 171 -8.648 3.421 -19.118 1.00 0.00 N ATOM 49 CA VAL A 171 -7.385 3.875 -19.744 1.00 0.00 C ATOM 50 C VAL A 171 -6.476 4.655 -18.769 1.00 0.00 C ATOM 51 O VAL A 171 -5.956 5.725 -19.084 1.00 0.00 O ATOM 52 CB VAL A 171 -7.669 4.643 -21.057 1.00 0.00 C ATOM 53 CG1 VAL A 171 -8.252 3.694 -22.113 1.00 0.00 C ATOM 54 CG2 VAL A 171 -8.637 5.826 -20.890 1.00 0.00 C ATOM 0 H VAL A 171 -9.395 4.109 -19.214 1.00 0.00 H new ATOM 0 HA VAL A 171 -6.812 2.986 -20.007 1.00 0.00 H new ATOM 0 HB VAL A 171 -6.706 5.046 -21.371 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -8.447 4.247 -23.032 1.00 0.00 H new ATOM 0 HG12 VAL A 171 -7.540 2.894 -22.316 1.00 0.00 H new ATOM 0 HG13 VAL A 171 -9.183 3.266 -21.743 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -8.786 6.313 -21.854 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -9.594 5.463 -20.516 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -8.218 6.542 -20.182 1.00 0.00 H new ATOM 64 N GLU A 172 -6.289 4.123 -17.557 1.00 0.00 N ATOM 65 CA GLU A 172 -5.499 4.733 -16.469 1.00 0.00 C ATOM 66 C GLU A 172 -4.470 3.738 -15.885 1.00 0.00 C ATOM 67 O GLU A 172 -4.363 3.546 -14.672 1.00 0.00 O ATOM 68 CB GLU A 172 -6.461 5.349 -15.425 1.00 0.00 C ATOM 69 CG GLU A 172 -5.928 6.616 -14.734 1.00 0.00 C ATOM 70 CD GLU A 172 -4.718 6.379 -13.817 1.00 0.00 C ATOM 71 OE1 GLU A 172 -4.933 6.057 -12.623 1.00 0.00 O ATOM 72 OE2 GLU A 172 -3.573 6.562 -14.300 1.00 0.00 O ATOM 0 H GLU A 172 -6.695 3.226 -17.292 1.00 0.00 H new ATOM 0 HA GLU A 172 -4.891 5.549 -16.860 1.00 0.00 H new ATOM 0 HB2 GLU A 172 -7.404 5.588 -15.916 1.00 0.00 H new ATOM 0 HB3 GLU A 172 -6.679 4.600 -14.664 1.00 0.00 H new ATOM 0 HG2 GLU A 172 -5.652 7.343 -15.498 1.00 0.00 H new ATOM 0 HG3 GLU A 172 -6.732 7.060 -14.147 1.00 0.00 H new ATOM 79 N ALA A 173 -3.718 3.068 -16.765 1.00 0.00 N ATOM 80 CA ALA A 173 -2.680 2.107 -16.385 1.00 0.00 C ATOM 81 C ALA A 173 -1.506 2.775 -15.632 1.00 0.00 C ATOM 82 O ALA A 173 -1.035 3.850 -16.016 1.00 0.00 O ATOM 83 CB ALA A 173 -2.201 1.379 -17.648 1.00 0.00 C ATOM 0 H ALA A 173 -3.815 3.180 -17.774 1.00 0.00 H new ATOM 0 HA ALA A 173 -3.106 1.387 -15.686 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -1.427 0.659 -17.382 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -3.040 0.856 -18.107 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -1.795 2.104 -18.354 1.00 0.00 H new ATOM 89 N LEU A 174 -1.024 2.120 -14.565 1.00 0.00 N ATOM 90 CA LEU A 174 0.091 2.599 -13.726 1.00 0.00 C ATOM 91 C LEU A 174 0.783 1.451 -12.956 1.00 0.00 C ATOM 92 O LEU A 174 2.013 1.384 -12.903 1.00 0.00 O ATOM 93 CB LEU A 174 -0.458 3.671 -12.748 1.00 0.00 C ATOM 94 CG LEU A 174 0.454 4.899 -12.563 1.00 0.00 C ATOM 95 CD1 LEU A 174 -0.245 5.924 -11.668 1.00 0.00 C ATOM 96 CD2 LEU A 174 1.804 4.565 -11.927 1.00 0.00 C ATOM 0 H LEU A 174 -1.403 1.226 -14.253 1.00 0.00 H new ATOM 0 HA LEU A 174 0.854 3.033 -14.372 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -1.430 4.008 -13.108 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -0.621 3.207 -11.775 1.00 0.00 H new ATOM 0 HG LEU A 174 0.642 5.291 -13.563 1.00 0.00 H new ATOM 0 HD11 LEU A 174 0.400 6.793 -11.537 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -1.181 6.234 -12.132 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -0.453 5.477 -10.696 1.00 0.00 H new ATOM 0 HD21 LEU A 174 2.394 5.476 -11.827 1.00 0.00 H new ATOM 0 HD22 LEU A 174 1.644 4.126 -10.942 1.00 0.00 H new ATOM 0 HD23 LEU A 174 2.338 3.854 -12.558 1.00 0.00 H new ATOM 108 N HIS A 175 -0.006 0.543 -12.364 1.00 0.00 N ATOM 109 CA HIS A 175 0.462 -0.613 -11.575 1.00 0.00 C ATOM 110 C HIS A 175 1.304 -1.620 -12.381 1.00 0.00 C ATOM 111 O HIS A 175 1.196 -1.708 -13.607 1.00 0.00 O ATOM 112 CB HIS A 175 -0.761 -1.308 -10.944 1.00 0.00 C ATOM 113 CG HIS A 175 -1.663 -0.369 -10.179 1.00 0.00 C ATOM 114 ND1 HIS A 175 -2.976 -0.069 -10.496 1.00 0.00 N ATOM 115 CD2 HIS A 175 -1.325 0.364 -9.074 1.00 0.00 C ATOM 116 CE1 HIS A 175 -3.429 0.828 -9.599 1.00 0.00 C ATOM 117 NE2 HIS A 175 -2.439 1.105 -8.727 1.00 0.00 N ATOM 0 H HIS A 175 -1.023 0.592 -12.421 1.00 0.00 H new ATOM 0 HA HIS A 175 1.132 -0.231 -10.804 1.00 0.00 H new ATOM 0 HB2 HIS A 175 -1.339 -1.793 -11.731 1.00 0.00 H new ATOM 0 HB3 HIS A 175 -0.415 -2.094 -10.272 1.00 0.00 H new ATOM 0 HD2 HIS A 175 -0.370 0.364 -8.569 1.00 0.00 H new ATOM 0 HE1 HIS A 175 -4.421 1.255 -9.581 1.00 0.00 H new ATOM 0 HE2 HIS A 175 -2.502 1.753 -7.942 1.00 0.00 H new ATOM 126 N GLN A 176 2.119 -2.413 -11.676 1.00 0.00 N ATOM 127 CA GLN A 176 3.004 -3.453 -12.232 1.00 0.00 C ATOM 128 C GLN A 176 2.253 -4.601 -12.946 1.00 0.00 C ATOM 129 O GLN A 176 2.821 -5.264 -13.817 1.00 0.00 O ATOM 130 CB GLN A 176 3.894 -4.030 -11.111 1.00 0.00 C ATOM 131 CG GLN A 176 4.977 -3.065 -10.585 1.00 0.00 C ATOM 132 CD GLN A 176 4.462 -1.880 -9.760 1.00 0.00 C ATOM 133 OE1 GLN A 176 3.397 -1.905 -9.153 1.00 0.00 O ATOM 134 NE2 GLN A 176 5.189 -0.783 -9.716 1.00 0.00 N ATOM 0 H GLN A 176 2.186 -2.348 -10.660 1.00 0.00 H new ATOM 0 HA GLN A 176 3.610 -2.964 -12.995 1.00 0.00 H new ATOM 0 HB2 GLN A 176 3.257 -4.329 -10.278 1.00 0.00 H new ATOM 0 HB3 GLN A 176 4.380 -4.933 -11.480 1.00 0.00 H new ATOM 0 HG2 GLN A 176 5.679 -3.633 -9.974 1.00 0.00 H new ATOM 0 HG3 GLN A 176 5.537 -2.677 -11.436 1.00 0.00 H new ATOM 0 HE21 GLN A 176 6.078 -0.740 -10.214 1.00 0.00 H new ATOM 0 HE22 GLN A 176 4.863 0.024 -9.184 1.00 0.00 H new ATOM 143 N ASN A 177 0.978 -4.821 -12.606 1.00 0.00 N ATOM 144 CA ASN A 177 0.083 -5.817 -13.205 1.00 0.00 C ATOM 145 C ASN A 177 -1.339 -5.227 -13.296 1.00 0.00 C ATOM 146 O ASN A 177 -1.759 -4.489 -12.398 1.00 0.00 O ATOM 147 CB ASN A 177 0.130 -7.101 -12.355 1.00 0.00 C ATOM 148 CG ASN A 177 -0.685 -8.238 -12.956 1.00 0.00 C ATOM 149 OD1 ASN A 177 -0.797 -8.389 -14.165 1.00 0.00 O ATOM 150 ND2 ASN A 177 -1.289 -9.071 -12.139 1.00 0.00 N ATOM 0 H ASN A 177 0.520 -4.283 -11.870 1.00 0.00 H new ATOM 0 HA ASN A 177 0.399 -6.073 -14.216 1.00 0.00 H new ATOM 0 HB2 ASN A 177 1.166 -7.421 -12.246 1.00 0.00 H new ATOM 0 HB3 ASN A 177 -0.243 -6.882 -11.354 1.00 0.00 H new ATOM 0 HD21 ASN A 177 -1.847 -9.838 -12.514 1.00 0.00 H new ATOM 0 HD22 ASN A 177 -1.200 -8.951 -11.130 1.00 0.00 H new ATOM 157 N ARG A 178 -2.070 -5.522 -14.380 1.00 0.00 N ATOM 158 CA ARG A 178 -3.417 -4.982 -14.659 1.00 0.00 C ATOM 159 C ARG A 178 -4.215 -5.869 -15.632 1.00 0.00 C ATOM 160 O ARG A 178 -3.687 -6.844 -16.169 1.00 0.00 O ATOM 161 CB ARG A 178 -3.228 -3.548 -15.207 1.00 0.00 C ATOM 162 CG ARG A 178 -4.401 -2.605 -14.907 1.00 0.00 C ATOM 163 CD ARG A 178 -3.980 -1.159 -15.186 1.00 0.00 C ATOM 164 NE ARG A 178 -5.097 -0.220 -14.984 1.00 0.00 N ATOM 165 CZ ARG A 178 -5.962 0.175 -15.900 1.00 0.00 C ATOM 166 NH1 ARG A 178 -5.948 -0.259 -17.129 1.00 0.00 N ATOM 167 NH2 ARG A 178 -6.888 1.040 -15.606 1.00 0.00 N ATOM 0 H ARG A 178 -1.738 -6.157 -15.106 1.00 0.00 H new ATOM 0 HA ARG A 178 -4.009 -4.965 -13.744 1.00 0.00 H new ATOM 0 HB2 ARG A 178 -2.318 -3.125 -14.782 1.00 0.00 H new ATOM 0 HB3 ARG A 178 -3.083 -3.599 -16.286 1.00 0.00 H new ATOM 0 HG2 ARG A 178 -5.261 -2.870 -15.523 1.00 0.00 H new ATOM 0 HG3 ARG A 178 -4.709 -2.711 -13.867 1.00 0.00 H new ATOM 0 HD2 ARG A 178 -3.153 -0.887 -14.530 1.00 0.00 H new ATOM 0 HD3 ARG A 178 -3.615 -1.077 -16.210 1.00 0.00 H new ATOM 0 HE ARG A 178 -5.213 0.162 -14.045 1.00 0.00 H new ATOM 0 HH11 ARG A 178 -5.245 -0.937 -17.422 1.00 0.00 H new ATOM 0 HH12 ARG A 178 -6.640 0.079 -17.797 1.00 0.00 H new ATOM 0 HH21 ARG A 178 -6.950 1.419 -14.661 1.00 0.00 H new ATOM 0 HH22 ARG A 178 -7.552 1.339 -16.320 1.00 0.00 H new ATOM 181 N GLU A 179 -5.486 -5.530 -15.857 1.00 0.00 N ATOM 182 CA GLU A 179 -6.399 -6.236 -16.775 1.00 0.00 C ATOM 183 C GLU A 179 -5.902 -6.289 -18.240 1.00 0.00 C ATOM 184 O GLU A 179 -5.057 -5.493 -18.662 1.00 0.00 O ATOM 185 CB GLU A 179 -7.808 -5.616 -16.688 1.00 0.00 C ATOM 186 CG GLU A 179 -7.905 -4.180 -17.232 1.00 0.00 C ATOM 187 CD GLU A 179 -9.316 -3.608 -17.042 1.00 0.00 C ATOM 188 OE1 GLU A 179 -10.181 -3.866 -17.913 1.00 0.00 O ATOM 189 OE2 GLU A 179 -9.535 -2.911 -16.022 1.00 0.00 O ATOM 0 H GLU A 179 -5.927 -4.735 -15.395 1.00 0.00 H new ATOM 0 HA GLU A 179 -6.431 -7.275 -16.447 1.00 0.00 H new ATOM 0 HB2 GLU A 179 -8.504 -6.248 -17.239 1.00 0.00 H new ATOM 0 HB3 GLU A 179 -8.130 -5.620 -15.647 1.00 0.00 H new ATOM 0 HG2 GLU A 179 -7.181 -3.545 -16.721 1.00 0.00 H new ATOM 0 HG3 GLU A 179 -7.646 -4.171 -18.291 1.00 0.00 H new ATOM 196 N MET A 180 -6.445 -7.228 -19.024 1.00 0.00 N ATOM 197 CA MET A 180 -6.107 -7.444 -20.438 1.00 0.00 C ATOM 198 C MET A 180 -6.350 -6.192 -21.302 1.00 0.00 C ATOM 199 O MET A 180 -7.398 -5.546 -21.204 1.00 0.00 O ATOM 200 CB MET A 180 -6.912 -8.627 -21.009 1.00 0.00 C ATOM 201 CG MET A 180 -6.607 -9.978 -20.344 1.00 0.00 C ATOM 202 SD MET A 180 -7.346 -10.247 -18.704 1.00 0.00 S ATOM 203 CE MET A 180 -6.718 -11.914 -18.362 1.00 0.00 C ATOM 0 H MET A 180 -7.153 -7.878 -18.683 1.00 0.00 H new ATOM 0 HA MET A 180 -5.041 -7.669 -20.474 1.00 0.00 H new ATOM 0 HB2 MET A 180 -7.975 -8.414 -20.901 1.00 0.00 H new ATOM 0 HB3 MET A 180 -6.710 -8.707 -22.077 1.00 0.00 H new ATOM 0 HG2 MET A 180 -6.948 -10.772 -21.008 1.00 0.00 H new ATOM 0 HG3 MET A 180 -5.526 -10.080 -20.254 1.00 0.00 H new ATOM 0 HE1 MET A 180 -7.075 -12.244 -17.386 1.00 0.00 H new ATOM 0 HE2 MET A 180 -7.073 -12.601 -19.130 1.00 0.00 H new ATOM 0 HE3 MET A 180 -5.628 -11.900 -18.364 1.00 0.00 H new ATOM 213 N ILE A 181 -5.385 -5.864 -22.169 1.00 0.00 N ATOM 214 CA ILE A 181 -5.455 -4.726 -23.099 1.00 0.00 C ATOM 215 C ILE A 181 -6.505 -4.955 -24.205 1.00 0.00 C ATOM 216 O ILE A 181 -6.795 -6.088 -24.590 1.00 0.00 O ATOM 217 CB ILE A 181 -4.038 -4.414 -23.646 1.00 0.00 C ATOM 218 CG1 ILE A 181 -3.917 -3.066 -24.392 1.00 0.00 C ATOM 219 CG2 ILE A 181 -3.494 -5.538 -24.547 1.00 0.00 C ATOM 220 CD1 ILE A 181 -4.304 -1.842 -23.551 1.00 0.00 C ATOM 0 H ILE A 181 -4.515 -6.391 -22.247 1.00 0.00 H new ATOM 0 HA ILE A 181 -5.799 -3.842 -22.562 1.00 0.00 H new ATOM 0 HB ILE A 181 -3.430 -4.340 -22.744 1.00 0.00 H new ATOM 0 HG12 ILE A 181 -2.890 -2.946 -24.736 1.00 0.00 H new ATOM 0 HG13 ILE A 181 -4.549 -3.097 -25.279 1.00 0.00 H new ATOM 0 HG21 ILE A 181 -2.500 -5.269 -24.903 1.00 0.00 H new ATOM 0 HG22 ILE A 181 -3.437 -6.466 -23.977 1.00 0.00 H new ATOM 0 HG23 ILE A 181 -4.160 -5.676 -25.399 1.00 0.00 H new ATOM 0 HD11 ILE A 181 -4.191 -0.938 -24.150 1.00 0.00 H new ATOM 0 HD12 ILE A 181 -5.341 -1.935 -23.228 1.00 0.00 H new ATOM 0 HD13 ILE A 181 -3.656 -1.782 -22.677 1.00 0.00 H new ATOM 232 N ASP A 182 -7.080 -3.867 -24.717 1.00 0.00 N ATOM 233 CA ASP A 182 -8.143 -3.836 -25.734 1.00 0.00 C ATOM 234 C ASP A 182 -7.834 -2.812 -26.856 1.00 0.00 C ATOM 235 O ASP A 182 -8.458 -1.749 -26.929 1.00 0.00 O ATOM 236 CB ASP A 182 -9.501 -3.614 -25.029 1.00 0.00 C ATOM 237 CG ASP A 182 -9.688 -2.240 -24.356 1.00 0.00 C ATOM 238 OD1 ASP A 182 -8.763 -1.782 -23.642 1.00 0.00 O ATOM 239 OD2 ASP A 182 -10.787 -1.656 -24.517 1.00 0.00 O ATOM 0 H ASP A 182 -6.805 -2.931 -24.421 1.00 0.00 H new ATOM 0 HA ASP A 182 -8.196 -4.794 -26.252 1.00 0.00 H new ATOM 0 HB2 ASP A 182 -10.296 -3.750 -25.762 1.00 0.00 H new ATOM 0 HB3 ASP A 182 -9.628 -4.389 -24.273 1.00 0.00 H new ATOM 244 N PRO A 183 -6.837 -3.095 -27.720 1.00 0.00 N ATOM 245 CA PRO A 183 -6.410 -2.185 -28.783 1.00 0.00 C ATOM 246 C PRO A 183 -7.360 -2.171 -29.991 1.00 0.00 C ATOM 247 O PRO A 183 -8.094 -3.128 -30.250 1.00 0.00 O ATOM 248 CB PRO A 183 -5.025 -2.701 -29.193 1.00 0.00 C ATOM 249 CG PRO A 183 -5.143 -4.210 -28.983 1.00 0.00 C ATOM 250 CD PRO A 183 -6.030 -4.311 -27.743 1.00 0.00 C ATOM 0 HA PRO A 183 -6.402 -1.154 -28.428 1.00 0.00 H new ATOM 0 HB2 PRO A 183 -4.793 -2.455 -30.229 1.00 0.00 H new ATOM 0 HB3 PRO A 183 -4.235 -2.269 -28.578 1.00 0.00 H new ATOM 0 HG2 PRO A 183 -5.593 -4.704 -29.844 1.00 0.00 H new ATOM 0 HG3 PRO A 183 -4.170 -4.673 -28.823 1.00 0.00 H new ATOM 0 HD2 PRO A 183 -6.663 -5.197 -27.788 1.00 0.00 H new ATOM 0 HD3 PRO A 183 -5.427 -4.395 -26.839 1.00 0.00 H new ATOM 258 N ASP A 184 -7.295 -1.095 -30.779 1.00 0.00 N ATOM 259 CA ASP A 184 -8.019 -0.963 -32.049 1.00 0.00 C ATOM 260 C ASP A 184 -7.242 -1.711 -33.151 1.00 0.00 C ATOM 261 O ASP A 184 -6.028 -1.523 -33.293 1.00 0.00 O ATOM 262 CB ASP A 184 -8.162 0.526 -32.401 1.00 0.00 C ATOM 263 CG ASP A 184 -8.941 0.760 -33.703 1.00 0.00 C ATOM 264 OD1 ASP A 184 -8.323 0.656 -34.789 1.00 0.00 O ATOM 265 OD2 ASP A 184 -10.156 1.058 -33.611 1.00 0.00 O ATOM 0 H ASP A 184 -6.730 -0.277 -30.550 1.00 0.00 H new ATOM 0 HA ASP A 184 -9.015 -1.397 -31.963 1.00 0.00 H new ATOM 0 HB2 ASP A 184 -8.667 1.040 -31.584 1.00 0.00 H new ATOM 0 HB3 ASP A 184 -7.170 0.969 -32.492 1.00 0.00 H new ATOM 270 N LYS A 185 -7.930 -2.548 -33.935 1.00 0.00 N ATOM 271 CA LYS A 185 -7.353 -3.343 -35.027 1.00 0.00 C ATOM 272 C LYS A 185 -8.280 -3.363 -36.243 1.00 0.00 C ATOM 273 O LYS A 185 -9.483 -3.136 -36.121 1.00 0.00 O ATOM 274 CB LYS A 185 -7.096 -4.775 -34.529 1.00 0.00 C ATOM 275 CG LYS A 185 -5.928 -4.887 -33.538 1.00 0.00 C ATOM 276 CD LYS A 185 -5.685 -6.354 -33.161 1.00 0.00 C ATOM 277 CE LYS A 185 -4.473 -6.478 -32.234 1.00 0.00 C ATOM 278 NZ LYS A 185 -4.234 -7.888 -31.857 1.00 0.00 N ATOM 0 H LYS A 185 -8.933 -2.696 -33.825 1.00 0.00 H new ATOM 0 HA LYS A 185 -6.412 -2.887 -35.335 1.00 0.00 H new ATOM 0 HB2 LYS A 185 -8.001 -5.152 -34.053 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -6.895 -5.417 -35.387 1.00 0.00 H new ATOM 0 HG2 LYS A 185 -5.026 -4.464 -33.980 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -6.146 -4.306 -32.642 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -6.569 -6.760 -32.669 1.00 0.00 H new ATOM 0 HD3 LYS A 185 -5.522 -6.945 -34.062 1.00 0.00 H new ATOM 0 HE2 LYS A 185 -3.589 -6.076 -32.730 1.00 0.00 H new ATOM 0 HE3 LYS A 185 -4.635 -5.881 -31.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 -3.407 -7.944 -31.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 -5.070 -8.262 -31.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 -4.057 -8.451 -32.713 1.00 0.00 H new ATOM 292 N PHE A 186 -7.715 -3.664 -37.409 1.00 0.00 N ATOM 293 CA PHE A 186 -8.423 -3.733 -38.690 1.00 0.00 C ATOM 294 C PHE A 186 -7.818 -4.813 -39.601 1.00 0.00 C ATOM 295 O PHE A 186 -6.596 -4.875 -39.775 1.00 0.00 O ATOM 296 CB PHE A 186 -8.366 -2.352 -39.366 1.00 0.00 C ATOM 297 CG PHE A 186 -8.962 -2.300 -40.763 1.00 0.00 C ATOM 298 CD1 PHE A 186 -10.354 -2.401 -40.939 1.00 0.00 C ATOM 299 CD2 PHE A 186 -8.131 -2.153 -41.891 1.00 0.00 C ATOM 300 CE1 PHE A 186 -10.913 -2.387 -42.229 1.00 0.00 C ATOM 301 CE2 PHE A 186 -8.691 -2.107 -43.181 1.00 0.00 C ATOM 302 CZ PHE A 186 -10.081 -2.236 -43.352 1.00 0.00 C ATOM 0 H PHE A 186 -6.720 -3.874 -37.494 1.00 0.00 H new ATOM 0 HA PHE A 186 -9.462 -4.008 -38.511 1.00 0.00 H new ATOM 0 HB2 PHE A 186 -8.890 -1.633 -38.736 1.00 0.00 H new ATOM 0 HB3 PHE A 186 -7.325 -2.032 -39.418 1.00 0.00 H new ATOM 0 HD1 PHE A 186 -10.998 -2.490 -40.077 1.00 0.00 H new ATOM 0 HD2 PHE A 186 -7.061 -2.075 -41.765 1.00 0.00 H new ATOM 0 HE1 PHE A 186 -11.980 -2.492 -42.357 1.00 0.00 H new ATOM 0 HE2 PHE A 186 -8.052 -1.972 -44.041 1.00 0.00 H new ATOM 0 HZ PHE A 186 -10.508 -2.219 -44.344 1.00 0.00 H new ATOM 312 N CYS A 187 -8.682 -5.637 -40.196 1.00 0.00 N ATOM 313 CA CYS A 187 -8.335 -6.701 -41.132 1.00 0.00 C ATOM 314 C CYS A 187 -8.594 -6.201 -42.567 1.00 0.00 C ATOM 315 O CYS A 187 -9.728 -6.187 -43.057 1.00 0.00 O ATOM 316 CB CYS A 187 -9.133 -7.965 -40.772 1.00 0.00 C ATOM 317 SG CYS A 187 -8.454 -9.409 -41.642 1.00 0.00 S ATOM 0 H CYS A 187 -9.686 -5.576 -40.029 1.00 0.00 H new ATOM 0 HA CYS A 187 -7.279 -6.965 -41.069 1.00 0.00 H new ATOM 0 HB2 CYS A 187 -9.098 -8.131 -39.695 1.00 0.00 H new ATOM 0 HB3 CYS A 187 -10.181 -7.830 -41.040 1.00 0.00 H new ATOM 322 N SER A 188 -7.536 -5.737 -43.237 1.00 0.00 N ATOM 323 CA SER A 188 -7.603 -5.189 -44.601 1.00 0.00 C ATOM 324 C SER A 188 -8.000 -6.210 -45.677 1.00 0.00 C ATOM 325 O SER A 188 -8.468 -5.816 -46.748 1.00 0.00 O ATOM 326 CB SER A 188 -6.266 -4.535 -44.968 1.00 0.00 C ATOM 327 OG SER A 188 -5.201 -5.469 -44.867 1.00 0.00 O ATOM 0 H SER A 188 -6.594 -5.730 -42.845 1.00 0.00 H new ATOM 0 HA SER A 188 -8.402 -4.448 -44.585 1.00 0.00 H new ATOM 0 HB2 SER A 188 -6.315 -4.142 -45.983 1.00 0.00 H new ATOM 0 HB3 SER A 188 -6.077 -3.689 -44.307 1.00 0.00 H new ATOM 0 HG SER A 188 -4.358 -5.031 -45.107 1.00 0.00 H new ATOM 333 N LEU A 189 -7.851 -7.511 -45.403 1.00 0.00 N ATOM 334 CA LEU A 189 -8.213 -8.598 -46.323 1.00 0.00 C ATOM 335 C LEU A 189 -9.709 -8.978 -46.236 1.00 0.00 C ATOM 336 O LEU A 189 -10.239 -9.572 -47.181 1.00 0.00 O ATOM 337 CB LEU A 189 -7.332 -9.834 -46.044 1.00 0.00 C ATOM 338 CG LEU A 189 -5.811 -9.583 -45.957 1.00 0.00 C ATOM 339 CD1 LEU A 189 -5.080 -10.917 -45.793 1.00 0.00 C ATOM 340 CD2 LEU A 189 -5.235 -8.881 -47.189 1.00 0.00 C ATOM 0 H LEU A 189 -7.468 -7.845 -44.519 1.00 0.00 H new ATOM 0 HA LEU A 189 -8.036 -8.238 -47.336 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -7.659 -10.283 -45.106 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -7.513 -10.568 -46.829 1.00 0.00 H new ATOM 0 HG LEU A 189 -5.662 -8.928 -45.099 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -4.006 -10.738 -45.732 1.00 0.00 H new ATOM 0 HD12 LEU A 189 -5.419 -11.408 -44.881 1.00 0.00 H new ATOM 0 HD13 LEU A 189 -5.293 -11.556 -46.650 1.00 0.00 H new ATOM 0 HD21 LEU A 189 -4.162 -8.737 -47.058 1.00 0.00 H new ATOM 0 HD22 LEU A 189 -5.414 -9.493 -48.073 1.00 0.00 H new ATOM 0 HD23 LEU A 189 -5.718 -7.912 -47.315 1.00 0.00 H new ATOM 352 N CYS A 190 -10.375 -8.624 -45.128 1.00 0.00 N ATOM 353 CA CYS A 190 -11.772 -8.952 -44.810 1.00 0.00 C ATOM 354 C CYS A 190 -12.689 -7.722 -44.619 1.00 0.00 C ATOM 355 O CYS A 190 -13.910 -7.879 -44.521 1.00 0.00 O ATOM 356 CB CYS A 190 -11.772 -9.781 -43.509 1.00 0.00 C ATOM 357 SG CYS A 190 -10.801 -11.317 -43.629 1.00 0.00 S ATOM 0 H CYS A 190 -9.932 -8.074 -44.392 1.00 0.00 H new ATOM 0 HA CYS A 190 -12.177 -9.498 -45.662 1.00 0.00 H new ATOM 0 HB2 CYS A 190 -11.374 -9.171 -42.698 1.00 0.00 H new ATOM 0 HB3 CYS A 190 -12.800 -10.030 -43.246 1.00 0.00 H new ATOM 362 N HIS A 191 -12.120 -6.509 -44.542 1.00 0.00 N ATOM 363 CA HIS A 191 -12.821 -5.243 -44.274 1.00 0.00 C ATOM 364 C HIS A 191 -13.629 -5.309 -42.960 1.00 0.00 C ATOM 365 O HIS A 191 -14.844 -5.090 -42.930 1.00 0.00 O ATOM 366 CB HIS A 191 -13.611 -4.794 -45.519 1.00 0.00 C ATOM 367 CG HIS A 191 -14.038 -3.347 -45.469 1.00 0.00 C ATOM 368 ND1 HIS A 191 -13.251 -2.259 -45.795 1.00 0.00 N ATOM 369 CD2 HIS A 191 -15.267 -2.874 -45.099 1.00 0.00 C ATOM 370 CE1 HIS A 191 -13.986 -1.144 -45.624 1.00 0.00 C ATOM 371 NE2 HIS A 191 -15.216 -1.497 -45.200 1.00 0.00 N ATOM 0 H HIS A 191 -11.117 -6.378 -44.670 1.00 0.00 H new ATOM 0 HA HIS A 191 -12.095 -4.450 -44.094 1.00 0.00 H new ATOM 0 HB2 HIS A 191 -12.998 -4.954 -46.406 1.00 0.00 H new ATOM 0 HB3 HIS A 191 -14.495 -5.422 -45.625 1.00 0.00 H new ATOM 0 HD2 HIS A 191 -16.116 -3.465 -44.787 1.00 0.00 H new ATOM 0 HE1 HIS A 191 -13.646 -0.134 -45.798 1.00 0.00 H new ATOM 0 HE2 HIS A 191 -15.980 -0.855 -44.989 1.00 0.00 H new ATOM 380 N ALA A 192 -12.936 -5.640 -41.867 1.00 0.00 N ATOM 381 CA ALA A 192 -13.486 -5.803 -40.515 1.00 0.00 C ATOM 382 C ALA A 192 -12.629 -5.058 -39.471 1.00 0.00 C ATOM 383 O ALA A 192 -11.408 -4.995 -39.608 1.00 0.00 O ATOM 384 CB ALA A 192 -13.568 -7.307 -40.214 1.00 0.00 C ATOM 0 H ALA A 192 -11.931 -5.810 -41.900 1.00 0.00 H new ATOM 0 HA ALA A 192 -14.483 -5.365 -40.461 1.00 0.00 H new ATOM 0 HB1 ALA A 192 -13.974 -7.456 -39.214 1.00 0.00 H new ATOM 0 HB2 ALA A 192 -14.217 -7.789 -40.945 1.00 0.00 H new ATOM 0 HB3 ALA A 192 -12.571 -7.744 -40.270 1.00 0.00 H new ATOM 390 N THR A 193 -13.260 -4.502 -38.430 1.00 0.00 N ATOM 391 CA THR A 193 -12.608 -3.699 -37.366 1.00 0.00 C ATOM 392 C THR A 193 -12.896 -4.288 -35.981 1.00 0.00 C ATOM 393 O THR A 193 -13.994 -4.804 -35.752 1.00 0.00 O ATOM 394 CB THR A 193 -13.104 -2.237 -37.409 1.00 0.00 C ATOM 395 OG1 THR A 193 -13.110 -1.730 -38.730 1.00 0.00 O ATOM 396 CG2 THR A 193 -12.237 -1.274 -36.596 1.00 0.00 C ATOM 0 H THR A 193 -14.266 -4.596 -38.293 1.00 0.00 H new ATOM 0 HA THR A 193 -11.533 -3.723 -37.546 1.00 0.00 H new ATOM 0 HB THR A 193 -14.107 -2.284 -36.984 1.00 0.00 H new ATOM 0 HG1 THR A 193 -13.430 -0.804 -38.723 1.00 0.00 H new ATOM 0 HG21 THR A 193 -12.644 -0.266 -36.672 1.00 0.00 H new ATOM 0 HG22 THR A 193 -12.229 -1.585 -35.551 1.00 0.00 H new ATOM 0 HG23 THR A 193 -11.219 -1.284 -36.985 1.00 0.00 H new ATOM 404 N PHE A 194 -11.937 -4.208 -35.049 1.00 0.00 N ATOM 405 CA PHE A 194 -12.048 -4.773 -33.695 1.00 0.00 C ATOM 406 C PHE A 194 -11.519 -3.794 -32.636 1.00 0.00 C ATOM 407 O PHE A 194 -10.617 -3.001 -32.912 1.00 0.00 O ATOM 408 CB PHE A 194 -11.283 -6.114 -33.619 1.00 0.00 C ATOM 409 CG PHE A 194 -11.270 -6.918 -34.910 1.00 0.00 C ATOM 410 CD1 PHE A 194 -12.446 -7.529 -35.384 1.00 0.00 C ATOM 411 CD2 PHE A 194 -10.101 -6.959 -35.695 1.00 0.00 C ATOM 412 CE1 PHE A 194 -12.462 -8.137 -36.651 1.00 0.00 C ATOM 413 CE2 PHE A 194 -10.115 -7.570 -36.958 1.00 0.00 C ATOM 414 CZ PHE A 194 -11.300 -8.146 -37.442 1.00 0.00 C ATOM 0 H PHE A 194 -11.046 -3.741 -35.217 1.00 0.00 H new ATOM 0 HA PHE A 194 -13.103 -4.950 -33.485 1.00 0.00 H new ATOM 0 HB2 PHE A 194 -10.253 -5.912 -33.324 1.00 0.00 H new ATOM 0 HB3 PHE A 194 -11.726 -6.724 -32.832 1.00 0.00 H new ATOM 0 HD1 PHE A 194 -13.337 -7.531 -34.774 1.00 0.00 H new ATOM 0 HD2 PHE A 194 -9.189 -6.517 -35.322 1.00 0.00 H new ATOM 0 HE1 PHE A 194 -13.368 -8.598 -37.017 1.00 0.00 H new ATOM 0 HE2 PHE A 194 -9.216 -7.597 -37.556 1.00 0.00 H new ATOM 0 HZ PHE A 194 -11.319 -8.597 -38.423 1.00 0.00 H new ATOM 424 N ASN A 195 -12.074 -3.862 -31.422 1.00 0.00 N ATOM 425 CA ASN A 195 -11.723 -2.996 -30.284 1.00 0.00 C ATOM 426 C ASN A 195 -11.650 -3.768 -28.945 1.00 0.00 C ATOM 427 O ASN A 195 -11.730 -3.174 -27.871 1.00 0.00 O ATOM 428 CB ASN A 195 -12.725 -1.823 -30.239 1.00 0.00 C ATOM 429 CG ASN A 195 -12.555 -0.881 -31.418 1.00 0.00 C ATOM 430 OD1 ASN A 195 -13.250 -0.960 -32.422 1.00 0.00 O ATOM 431 ND2 ASN A 195 -11.629 0.047 -31.326 1.00 0.00 N ATOM 0 H ASN A 195 -12.801 -4.540 -31.194 1.00 0.00 H new ATOM 0 HA ASN A 195 -10.716 -2.604 -30.430 1.00 0.00 H new ATOM 0 HB2 ASN A 195 -13.742 -2.215 -30.233 1.00 0.00 H new ATOM 0 HB3 ASN A 195 -12.592 -1.268 -29.310 1.00 0.00 H new ATOM 0 HD21 ASN A 195 -11.488 0.704 -32.093 1.00 0.00 H new ATOM 0 HD22 ASN A 195 -11.052 0.110 -30.488 1.00 0.00 H new ATOM 438 N ASP A 196 -11.494 -5.094 -28.996 1.00 0.00 N ATOM 439 CA ASP A 196 -11.379 -5.997 -27.842 1.00 0.00 C ATOM 440 C ASP A 196 -10.447 -7.177 -28.191 1.00 0.00 C ATOM 441 O ASP A 196 -10.378 -7.565 -29.364 1.00 0.00 O ATOM 442 CB ASP A 196 -12.771 -6.511 -27.434 1.00 0.00 C ATOM 443 CG ASP A 196 -13.596 -5.448 -26.701 1.00 0.00 C ATOM 444 OD1 ASP A 196 -13.286 -5.193 -25.513 1.00 0.00 O ATOM 445 OD2 ASP A 196 -14.551 -4.915 -27.315 1.00 0.00 O ATOM 0 H ASP A 196 -11.442 -5.593 -29.884 1.00 0.00 H new ATOM 0 HA ASP A 196 -10.952 -5.451 -27.001 1.00 0.00 H new ATOM 0 HB2 ASP A 196 -13.310 -6.835 -28.324 1.00 0.00 H new ATOM 0 HB3 ASP A 196 -12.659 -7.385 -26.793 1.00 0.00 H new ATOM 450 N PRO A 197 -9.737 -7.767 -27.206 1.00 0.00 N ATOM 451 CA PRO A 197 -8.779 -8.846 -27.461 1.00 0.00 C ATOM 452 C PRO A 197 -9.432 -10.099 -28.047 1.00 0.00 C ATOM 453 O PRO A 197 -8.960 -10.668 -29.032 1.00 0.00 O ATOM 454 CB PRO A 197 -8.134 -9.166 -26.102 1.00 0.00 C ATOM 455 CG PRO A 197 -9.082 -8.575 -25.059 1.00 0.00 C ATOM 456 CD PRO A 197 -9.764 -7.424 -25.789 1.00 0.00 C ATOM 0 HA PRO A 197 -8.050 -8.525 -28.205 1.00 0.00 H new ATOM 0 HB2 PRO A 197 -8.018 -10.241 -25.965 1.00 0.00 H new ATOM 0 HB3 PRO A 197 -7.140 -8.726 -26.025 1.00 0.00 H new ATOM 0 HG2 PRO A 197 -9.806 -9.313 -24.714 1.00 0.00 H new ATOM 0 HG3 PRO A 197 -8.540 -8.225 -24.180 1.00 0.00 H new ATOM 0 HD2 PRO A 197 -10.788 -7.294 -25.440 1.00 0.00 H new ATOM 0 HD3 PRO A 197 -9.243 -6.484 -25.606 1.00 0.00 H new ATOM 464 N VAL A 198 -10.536 -10.526 -27.433 1.00 0.00 N ATOM 465 CA VAL A 198 -11.281 -11.726 -27.830 1.00 0.00 C ATOM 466 C VAL A 198 -12.010 -11.501 -29.155 1.00 0.00 C ATOM 467 O VAL A 198 -12.020 -12.400 -29.988 1.00 0.00 O ATOM 468 CB VAL A 198 -12.216 -12.165 -26.687 1.00 0.00 C ATOM 469 CG1 VAL A 198 -13.045 -13.404 -27.046 1.00 0.00 C ATOM 470 CG2 VAL A 198 -11.376 -12.503 -25.441 1.00 0.00 C ATOM 0 H VAL A 198 -10.946 -10.042 -26.634 1.00 0.00 H new ATOM 0 HA VAL A 198 -10.586 -12.547 -28.006 1.00 0.00 H new ATOM 0 HB VAL A 198 -12.899 -11.336 -26.500 1.00 0.00 H new ATOM 0 HG11 VAL A 198 -13.686 -13.669 -26.205 1.00 0.00 H new ATOM 0 HG12 VAL A 198 -13.662 -13.189 -27.918 1.00 0.00 H new ATOM 0 HG13 VAL A 198 -12.377 -14.236 -27.270 1.00 0.00 H new ATOM 0 HG21 VAL A 198 -12.036 -12.814 -24.631 1.00 0.00 H new ATOM 0 HG22 VAL A 198 -10.685 -13.312 -25.677 1.00 0.00 H new ATOM 0 HG23 VAL A 198 -10.812 -11.623 -25.132 1.00 0.00 H new ATOM 480 N MET A 199 -12.550 -10.301 -29.407 1.00 0.00 N ATOM 481 CA MET A 199 -13.193 -9.967 -30.688 1.00 0.00 C ATOM 482 C MET A 199 -12.194 -10.082 -31.851 1.00 0.00 C ATOM 483 O MET A 199 -12.493 -10.706 -32.871 1.00 0.00 O ATOM 484 CB MET A 199 -13.794 -8.555 -30.608 1.00 0.00 C ATOM 485 CG MET A 199 -14.610 -8.171 -31.850 1.00 0.00 C ATOM 486 SD MET A 199 -16.033 -9.233 -32.239 1.00 0.00 S ATOM 487 CE MET A 199 -17.126 -8.862 -30.837 1.00 0.00 C ATOM 0 H MET A 199 -12.554 -9.536 -28.732 1.00 0.00 H new ATOM 0 HA MET A 199 -13.996 -10.679 -30.880 1.00 0.00 H new ATOM 0 HB2 MET A 199 -14.433 -8.489 -29.727 1.00 0.00 H new ATOM 0 HB3 MET A 199 -12.989 -7.832 -30.473 1.00 0.00 H new ATOM 0 HG2 MET A 199 -14.970 -7.150 -31.721 1.00 0.00 H new ATOM 0 HG3 MET A 199 -13.941 -8.166 -32.711 1.00 0.00 H new ATOM 0 HE1 MET A 199 -18.074 -9.384 -30.967 1.00 0.00 H new ATOM 0 HE2 MET A 199 -16.655 -9.191 -29.911 1.00 0.00 H new ATOM 0 HE3 MET A 199 -17.306 -7.788 -30.790 1.00 0.00 H new ATOM 497 N ALA A 200 -10.986 -9.533 -31.672 1.00 0.00 N ATOM 498 CA ALA A 200 -9.902 -9.637 -32.647 1.00 0.00 C ATOM 499 C ALA A 200 -9.517 -11.106 -32.891 1.00 0.00 C ATOM 500 O ALA A 200 -9.500 -11.572 -34.032 1.00 0.00 O ATOM 501 CB ALA A 200 -8.695 -8.847 -32.124 1.00 0.00 C ATOM 0 H ALA A 200 -10.735 -9.001 -30.839 1.00 0.00 H new ATOM 0 HA ALA A 200 -10.233 -9.223 -33.599 1.00 0.00 H new ATOM 0 HB1 ALA A 200 -7.877 -8.915 -32.841 1.00 0.00 H new ATOM 0 HB2 ALA A 200 -8.974 -7.802 -31.990 1.00 0.00 H new ATOM 0 HB3 ALA A 200 -8.375 -9.262 -31.168 1.00 0.00 H new ATOM 507 N GLN A 201 -9.232 -11.846 -31.813 1.00 0.00 N ATOM 508 CA GLN A 201 -8.833 -13.249 -31.887 1.00 0.00 C ATOM 509 C GLN A 201 -9.891 -14.131 -32.575 1.00 0.00 C ATOM 510 O GLN A 201 -9.551 -14.917 -33.460 1.00 0.00 O ATOM 511 CB GLN A 201 -8.507 -13.757 -30.472 1.00 0.00 C ATOM 512 CG GLN A 201 -7.934 -15.186 -30.471 1.00 0.00 C ATOM 513 CD GLN A 201 -7.578 -15.706 -29.075 1.00 0.00 C ATOM 514 OE1 GLN A 201 -7.659 -15.024 -28.061 1.00 0.00 O ATOM 515 NE2 GLN A 201 -7.168 -16.953 -28.964 1.00 0.00 N ATOM 0 H GLN A 201 -9.273 -11.482 -30.861 1.00 0.00 H new ATOM 0 HA GLN A 201 -7.942 -13.318 -32.511 1.00 0.00 H new ATOM 0 HB2 GLN A 201 -7.790 -13.082 -30.004 1.00 0.00 H new ATOM 0 HB3 GLN A 201 -9.411 -13.732 -29.864 1.00 0.00 H new ATOM 0 HG2 GLN A 201 -8.661 -15.860 -30.925 1.00 0.00 H new ATOM 0 HG3 GLN A 201 -7.042 -15.211 -31.097 1.00 0.00 H new ATOM 0 HE21 GLN A 201 -7.092 -17.541 -29.794 1.00 0.00 H new ATOM 0 HE22 GLN A 201 -6.926 -17.331 -28.048 1.00 0.00 H new ATOM 524 N GLN A 202 -11.169 -13.983 -32.201 1.00 0.00 N ATOM 525 CA GLN A 202 -12.297 -14.739 -32.760 1.00 0.00 C ATOM 526 C GLN A 202 -12.436 -14.538 -34.272 1.00 0.00 C ATOM 527 O GLN A 202 -12.777 -15.489 -34.978 1.00 0.00 O ATOM 528 CB GLN A 202 -13.606 -14.360 -32.041 1.00 0.00 C ATOM 529 CG GLN A 202 -13.730 -14.974 -30.635 1.00 0.00 C ATOM 530 CD GLN A 202 -14.074 -16.463 -30.666 1.00 0.00 C ATOM 531 OE1 GLN A 202 -13.222 -17.328 -30.821 1.00 0.00 O ATOM 532 NE2 GLN A 202 -15.332 -16.827 -30.517 1.00 0.00 N ATOM 0 H GLN A 202 -11.454 -13.317 -31.483 1.00 0.00 H new ATOM 0 HA GLN A 202 -12.093 -15.797 -32.594 1.00 0.00 H new ATOM 0 HB2 GLN A 202 -13.668 -13.275 -31.962 1.00 0.00 H new ATOM 0 HB3 GLN A 202 -14.452 -14.684 -32.647 1.00 0.00 H new ATOM 0 HG2 GLN A 202 -12.792 -14.834 -30.099 1.00 0.00 H new ATOM 0 HG3 GLN A 202 -14.499 -14.440 -30.077 1.00 0.00 H new ATOM 0 HE21 GLN A 202 -16.055 -16.120 -30.387 1.00 0.00 H new ATOM 0 HE22 GLN A 202 -15.582 -17.816 -30.532 1.00 0.00 H new ATOM 541 N HIS A 203 -12.128 -13.340 -34.785 1.00 0.00 N ATOM 542 CA HIS A 203 -12.134 -13.096 -36.228 1.00 0.00 C ATOM 543 C HIS A 203 -11.023 -13.916 -36.903 1.00 0.00 C ATOM 544 O HIS A 203 -11.316 -14.738 -37.771 1.00 0.00 O ATOM 545 CB HIS A 203 -11.986 -11.598 -36.540 1.00 0.00 C ATOM 546 CG HIS A 203 -11.983 -11.317 -38.027 1.00 0.00 C ATOM 547 ND1 HIS A 203 -13.084 -11.075 -38.820 1.00 0.00 N ATOM 548 CD2 HIS A 203 -10.888 -11.305 -38.855 1.00 0.00 C ATOM 549 CE1 HIS A 203 -12.661 -10.945 -40.092 1.00 0.00 C ATOM 550 NE2 HIS A 203 -11.327 -11.092 -40.167 1.00 0.00 N ATOM 0 H HIS A 203 -11.873 -12.529 -34.222 1.00 0.00 H new ATOM 0 HA HIS A 203 -13.095 -13.416 -36.630 1.00 0.00 H new ATOM 0 HB2 HIS A 203 -12.803 -11.049 -36.071 1.00 0.00 H new ATOM 0 HB3 HIS A 203 -11.060 -11.228 -36.101 1.00 0.00 H new ATOM 0 HD1 HIS A 203 -14.050 -11.006 -38.500 1.00 0.00 H new ATOM 0 HD2 HIS A 203 -9.862 -11.437 -38.546 1.00 0.00 H new ATOM 0 HE1 HIS A 203 -13.305 -10.749 -40.936 1.00 0.00 H new ATOM 558 N TYR A 204 -9.763 -13.729 -36.490 1.00 0.00 N ATOM 559 CA TYR A 204 -8.597 -14.405 -37.077 1.00 0.00 C ATOM 560 C TYR A 204 -8.669 -15.942 -37.079 1.00 0.00 C ATOM 561 O TYR A 204 -8.254 -16.562 -38.060 1.00 0.00 O ATOM 562 CB TYR A 204 -7.310 -13.922 -36.387 1.00 0.00 C ATOM 563 CG TYR A 204 -7.069 -12.418 -36.410 1.00 0.00 C ATOM 564 CD1 TYR A 204 -7.269 -11.676 -37.594 1.00 0.00 C ATOM 565 CD2 TYR A 204 -6.629 -11.758 -35.244 1.00 0.00 C ATOM 566 CE1 TYR A 204 -7.076 -10.282 -37.602 1.00 0.00 C ATOM 567 CE2 TYR A 204 -6.423 -10.364 -35.251 1.00 0.00 C ATOM 568 CZ TYR A 204 -6.653 -9.620 -36.428 1.00 0.00 C ATOM 569 OH TYR A 204 -6.447 -8.273 -36.428 1.00 0.00 O ATOM 0 H TYR A 204 -9.521 -13.095 -35.728 1.00 0.00 H new ATOM 0 HA TYR A 204 -8.593 -14.125 -38.130 1.00 0.00 H new ATOM 0 HB2 TYR A 204 -7.332 -14.251 -35.348 1.00 0.00 H new ATOM 0 HB3 TYR A 204 -6.460 -14.414 -36.860 1.00 0.00 H new ATOM 0 HD1 TYR A 204 -7.572 -12.181 -38.499 1.00 0.00 H new ATOM 0 HD2 TYR A 204 -6.449 -12.323 -34.342 1.00 0.00 H new ATOM 0 HE1 TYR A 204 -7.251 -9.718 -38.506 1.00 0.00 H new ATOM 0 HE2 TYR A 204 -6.088 -9.864 -34.354 1.00 0.00 H new ATOM 0 HH TYR A 204 -7.044 -7.851 -37.080 1.00 0.00 H new ATOM 579 N VAL A 205 -9.193 -16.574 -36.018 1.00 0.00 N ATOM 580 CA VAL A 205 -9.316 -18.049 -35.948 1.00 0.00 C ATOM 581 C VAL A 205 -10.606 -18.592 -36.586 1.00 0.00 C ATOM 582 O VAL A 205 -10.718 -19.800 -36.804 1.00 0.00 O ATOM 583 CB VAL A 205 -9.174 -18.591 -34.508 1.00 0.00 C ATOM 584 CG1 VAL A 205 -7.879 -18.101 -33.846 1.00 0.00 C ATOM 585 CG2 VAL A 205 -10.368 -18.262 -33.602 1.00 0.00 C ATOM 0 H VAL A 205 -9.541 -16.090 -35.191 1.00 0.00 H new ATOM 0 HA VAL A 205 -8.479 -18.417 -36.541 1.00 0.00 H new ATOM 0 HB VAL A 205 -9.142 -19.675 -34.618 1.00 0.00 H new ATOM 0 HG11 VAL A 205 -7.813 -18.502 -32.835 1.00 0.00 H new ATOM 0 HG12 VAL A 205 -7.022 -18.441 -34.428 1.00 0.00 H new ATOM 0 HG13 VAL A 205 -7.881 -17.012 -33.805 1.00 0.00 H new ATOM 0 HG21 VAL A 205 -10.195 -18.675 -32.608 1.00 0.00 H new ATOM 0 HG22 VAL A 205 -10.483 -17.180 -33.530 1.00 0.00 H new ATOM 0 HG23 VAL A 205 -11.275 -18.696 -34.023 1.00 0.00 H new ATOM 595 N GLY A 206 -11.583 -17.728 -36.882 1.00 0.00 N ATOM 596 CA GLY A 206 -12.879 -18.106 -37.451 1.00 0.00 C ATOM 597 C GLY A 206 -12.841 -18.430 -38.950 1.00 0.00 C ATOM 598 O GLY A 206 -12.031 -17.890 -39.711 1.00 0.00 O ATOM 0 H GLY A 206 -11.491 -16.724 -36.729 1.00 0.00 H new ATOM 0 HA2 GLY A 206 -13.259 -18.975 -36.913 1.00 0.00 H new ATOM 0 HA3 GLY A 206 -13.586 -17.293 -37.285 1.00 0.00 H new ATOM 602 N LYS A 207 -13.752 -19.308 -39.391 1.00 0.00 N ATOM 603 CA LYS A 207 -13.871 -19.756 -40.796 1.00 0.00 C ATOM 604 C LYS A 207 -14.015 -18.604 -41.797 1.00 0.00 C ATOM 605 O LYS A 207 -13.471 -18.692 -42.897 1.00 0.00 O ATOM 606 CB LYS A 207 -15.026 -20.762 -40.947 1.00 0.00 C ATOM 607 CG LYS A 207 -14.739 -22.083 -40.210 1.00 0.00 C ATOM 608 CD LYS A 207 -15.803 -23.159 -40.471 1.00 0.00 C ATOM 609 CE LYS A 207 -17.175 -22.774 -39.904 1.00 0.00 C ATOM 610 NZ LYS A 207 -18.163 -23.851 -40.124 1.00 0.00 N ATOM 0 H LYS A 207 -14.442 -19.738 -38.775 1.00 0.00 H new ATOM 0 HA LYS A 207 -12.930 -20.249 -41.040 1.00 0.00 H new ATOM 0 HB2 LYS A 207 -15.944 -20.322 -40.558 1.00 0.00 H new ATOM 0 HB3 LYS A 207 -15.194 -20.966 -42.005 1.00 0.00 H new ATOM 0 HG2 LYS A 207 -13.765 -22.461 -40.519 1.00 0.00 H new ATOM 0 HG3 LYS A 207 -14.681 -21.890 -39.139 1.00 0.00 H new ATOM 0 HD2 LYS A 207 -15.891 -23.327 -41.544 1.00 0.00 H new ATOM 0 HD3 LYS A 207 -15.480 -24.101 -40.027 1.00 0.00 H new ATOM 0 HE2 LYS A 207 -17.087 -22.570 -38.837 1.00 0.00 H new ATOM 0 HE3 LYS A 207 -17.523 -21.855 -40.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 -19.082 -23.564 -39.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 -18.263 -24.028 -41.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 -17.840 -24.720 -39.652 1.00 0.00 H new ATOM 624 N LYS A 208 -14.691 -17.512 -41.417 1.00 0.00 N ATOM 625 CA LYS A 208 -14.859 -16.311 -42.258 1.00 0.00 C ATOM 626 C LYS A 208 -13.507 -15.733 -42.694 1.00 0.00 C ATOM 627 O LYS A 208 -13.296 -15.528 -43.888 1.00 0.00 O ATOM 628 CB LYS A 208 -15.724 -15.276 -41.516 1.00 0.00 C ATOM 629 CG LYS A 208 -16.063 -14.069 -42.409 1.00 0.00 C ATOM 630 CD LYS A 208 -17.052 -13.092 -41.755 1.00 0.00 C ATOM 631 CE LYS A 208 -16.465 -12.414 -40.511 1.00 0.00 C ATOM 632 NZ LYS A 208 -17.413 -11.432 -39.944 1.00 0.00 N ATOM 0 H LYS A 208 -15.144 -17.433 -40.506 1.00 0.00 H new ATOM 0 HA LYS A 208 -15.377 -16.592 -43.175 1.00 0.00 H new ATOM 0 HB2 LYS A 208 -16.646 -15.748 -41.178 1.00 0.00 H new ATOM 0 HB3 LYS A 208 -15.197 -14.933 -40.626 1.00 0.00 H new ATOM 0 HG2 LYS A 208 -15.144 -13.536 -42.653 1.00 0.00 H new ATOM 0 HG3 LYS A 208 -16.483 -14.427 -43.349 1.00 0.00 H new ATOM 0 HD2 LYS A 208 -17.339 -12.330 -42.480 1.00 0.00 H new ATOM 0 HD3 LYS A 208 -17.960 -13.628 -41.479 1.00 0.00 H new ATOM 0 HE2 LYS A 208 -16.225 -13.168 -39.761 1.00 0.00 H new ATOM 0 HE3 LYS A 208 -15.532 -11.915 -40.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 208 -16.991 -10.988 -39.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 208 -17.622 -10.701 -40.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 208 -18.294 -11.915 -39.675 1.00 0.00 H new ATOM 646 N HIS A 209 -12.577 -15.535 -41.753 1.00 0.00 N ATOM 647 CA HIS A 209 -11.225 -15.040 -42.050 1.00 0.00 C ATOM 648 C HIS A 209 -10.454 -16.016 -42.939 1.00 0.00 C ATOM 649 O HIS A 209 -9.854 -15.599 -43.927 1.00 0.00 O ATOM 650 CB HIS A 209 -10.455 -14.769 -40.753 1.00 0.00 C ATOM 651 CG HIS A 209 -9.056 -14.244 -40.986 1.00 0.00 C ATOM 652 ND1 HIS A 209 -8.727 -12.927 -41.322 1.00 0.00 N ATOM 653 CD2 HIS A 209 -7.910 -14.988 -40.946 1.00 0.00 C ATOM 654 CE1 HIS A 209 -7.395 -12.912 -41.491 1.00 0.00 C ATOM 655 NE2 HIS A 209 -6.877 -14.134 -41.269 1.00 0.00 N ATOM 0 H HIS A 209 -12.739 -15.713 -40.762 1.00 0.00 H new ATOM 0 HA HIS A 209 -11.327 -14.103 -42.598 1.00 0.00 H new ATOM 0 HB2 HIS A 209 -11.011 -14.049 -40.153 1.00 0.00 H new ATOM 0 HB3 HIS A 209 -10.398 -15.690 -40.173 1.00 0.00 H new ATOM 0 HD2 HIS A 209 -7.830 -16.038 -40.708 1.00 0.00 H new ATOM 0 HE1 HIS A 209 -6.820 -12.041 -41.767 1.00 0.00 H new ATOM 0 HE2 HIS A 209 -5.890 -14.385 -41.329 1.00 0.00 H new ATOM 663 N ARG A 210 -10.502 -17.326 -42.642 1.00 0.00 N ATOM 664 CA ARG A 210 -9.837 -18.356 -43.466 1.00 0.00 C ATOM 665 C ARG A 210 -10.333 -18.308 -44.919 1.00 0.00 C ATOM 666 O ARG A 210 -9.524 -18.203 -45.840 1.00 0.00 O ATOM 667 CB ARG A 210 -10.018 -19.765 -42.861 1.00 0.00 C ATOM 668 CG ARG A 210 -9.007 -20.123 -41.757 1.00 0.00 C ATOM 669 CD ARG A 210 -9.188 -19.332 -40.454 1.00 0.00 C ATOM 670 NE ARG A 210 -8.247 -19.767 -39.406 1.00 0.00 N ATOM 671 CZ ARG A 210 -6.976 -19.416 -39.287 1.00 0.00 C ATOM 672 NH1 ARG A 210 -6.361 -18.656 -40.157 1.00 0.00 N ATOM 673 NH2 ARG A 210 -6.270 -19.849 -38.277 1.00 0.00 N ATOM 0 H ARG A 210 -10.997 -17.700 -41.833 1.00 0.00 H new ATOM 0 HA ARG A 210 -8.770 -18.135 -43.470 1.00 0.00 H new ATOM 0 HB2 ARG A 210 -11.025 -19.844 -42.452 1.00 0.00 H new ATOM 0 HB3 ARG A 210 -9.940 -20.502 -43.660 1.00 0.00 H new ATOM 0 HG2 ARG A 210 -9.089 -21.187 -41.537 1.00 0.00 H new ATOM 0 HG3 ARG A 210 -7.999 -19.953 -42.135 1.00 0.00 H new ATOM 0 HD2 ARG A 210 -9.044 -18.270 -40.652 1.00 0.00 H new ATOM 0 HD3 ARG A 210 -10.210 -19.453 -40.096 1.00 0.00 H new ATOM 0 HE ARG A 210 -8.613 -20.405 -38.699 1.00 0.00 H new ATOM 0 HH11 ARG A 210 -6.863 -18.305 -40.973 1.00 0.00 H new ATOM 0 HH12 ARG A 210 -5.380 -18.414 -40.019 1.00 0.00 H new ATOM 0 HH21 ARG A 210 -6.698 -20.458 -37.579 1.00 0.00 H new ATOM 0 HH22 ARG A 210 -5.291 -19.578 -38.186 1.00 0.00 H new ATOM 687 N LYS A 211 -11.655 -18.331 -45.130 1.00 0.00 N ATOM 688 CA LYS A 211 -12.281 -18.262 -46.464 1.00 0.00 C ATOM 689 C LYS A 211 -11.946 -16.965 -47.205 1.00 0.00 C ATOM 690 O LYS A 211 -11.534 -17.025 -48.362 1.00 0.00 O ATOM 691 CB LYS A 211 -13.804 -18.448 -46.350 1.00 0.00 C ATOM 692 CG LYS A 211 -14.180 -19.899 -46.000 1.00 0.00 C ATOM 693 CD LYS A 211 -15.693 -20.104 -45.841 1.00 0.00 C ATOM 694 CE LYS A 211 -16.444 -19.904 -47.163 1.00 0.00 C ATOM 695 NZ LYS A 211 -17.888 -20.179 -47.007 1.00 0.00 N ATOM 0 H LYS A 211 -12.333 -18.399 -44.371 1.00 0.00 H new ATOM 0 HA LYS A 211 -11.865 -19.077 -47.057 1.00 0.00 H new ATOM 0 HB2 LYS A 211 -14.196 -17.777 -45.585 1.00 0.00 H new ATOM 0 HB3 LYS A 211 -14.276 -18.168 -47.292 1.00 0.00 H new ATOM 0 HG2 LYS A 211 -13.809 -20.563 -46.780 1.00 0.00 H new ATOM 0 HG3 LYS A 211 -13.681 -20.185 -45.074 1.00 0.00 H new ATOM 0 HD2 LYS A 211 -15.885 -21.109 -45.464 1.00 0.00 H new ATOM 0 HD3 LYS A 211 -16.077 -19.406 -45.097 1.00 0.00 H new ATOM 0 HE2 LYS A 211 -16.302 -18.882 -47.513 1.00 0.00 H new ATOM 0 HE3 LYS A 211 -16.026 -20.563 -47.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 211 -18.369 -20.035 -47.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 211 -18.023 -21.162 -46.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 211 -18.290 -19.533 -46.298 1.00 0.00 H new ATOM 709 N GLN A 212 -12.087 -15.806 -46.561 1.00 0.00 N ATOM 710 CA GLN A 212 -11.784 -14.505 -47.175 1.00 0.00 C ATOM 711 C GLN A 212 -10.290 -14.333 -47.495 1.00 0.00 C ATOM 712 O GLN A 212 -9.955 -13.839 -48.571 1.00 0.00 O ATOM 713 CB GLN A 212 -12.274 -13.370 -46.263 1.00 0.00 C ATOM 714 CG GLN A 212 -13.804 -13.236 -46.197 1.00 0.00 C ATOM 715 CD GLN A 212 -14.396 -12.658 -47.482 1.00 0.00 C ATOM 716 OE1 GLN A 212 -14.682 -13.362 -48.442 1.00 0.00 O ATOM 717 NE2 GLN A 212 -14.604 -11.360 -47.556 1.00 0.00 N ATOM 0 H GLN A 212 -12.415 -15.739 -45.597 1.00 0.00 H new ATOM 0 HA GLN A 212 -12.313 -14.464 -48.127 1.00 0.00 H new ATOM 0 HB2 GLN A 212 -11.890 -13.536 -45.256 1.00 0.00 H new ATOM 0 HB3 GLN A 212 -11.852 -12.428 -46.614 1.00 0.00 H new ATOM 0 HG2 GLN A 212 -14.244 -14.215 -46.006 1.00 0.00 H new ATOM 0 HG3 GLN A 212 -14.074 -12.596 -45.357 1.00 0.00 H new ATOM 0 HE21 GLN A 212 -14.371 -10.760 -46.765 1.00 0.00 H new ATOM 0 HE22 GLN A 212 -14.998 -10.954 -48.405 1.00 0.00 H new ATOM 726 N GLU A 213 -9.385 -14.780 -46.619 1.00 0.00 N ATOM 727 CA GLU A 213 -7.938 -14.744 -46.867 1.00 0.00 C ATOM 728 C GLU A 213 -7.595 -15.603 -48.095 1.00 0.00 C ATOM 729 O GLU A 213 -6.904 -15.132 -49.000 1.00 0.00 O ATOM 730 CB GLU A 213 -7.187 -15.205 -45.606 1.00 0.00 C ATOM 731 CG GLU A 213 -5.665 -15.085 -45.734 1.00 0.00 C ATOM 732 CD GLU A 213 -4.982 -15.497 -44.423 1.00 0.00 C ATOM 733 OE1 GLU A 213 -4.695 -16.708 -44.265 1.00 0.00 O ATOM 734 OE2 GLU A 213 -4.745 -14.607 -43.570 1.00 0.00 O ATOM 0 H GLU A 213 -9.635 -15.179 -45.714 1.00 0.00 H new ATOM 0 HA GLU A 213 -7.621 -13.724 -47.086 1.00 0.00 H new ATOM 0 HB2 GLU A 213 -7.522 -14.613 -44.754 1.00 0.00 H new ATOM 0 HB3 GLU A 213 -7.447 -16.242 -45.395 1.00 0.00 H new ATOM 0 HG2 GLU A 213 -5.312 -15.716 -46.549 1.00 0.00 H new ATOM 0 HG3 GLU A 213 -5.395 -14.059 -45.985 1.00 0.00 H new ATOM 741 N THR A 214 -8.131 -16.830 -48.179 1.00 0.00 N ATOM 742 CA THR A 214 -7.962 -17.707 -49.350 1.00 0.00 C ATOM 743 C THR A 214 -8.559 -17.069 -50.608 1.00 0.00 C ATOM 744 O THR A 214 -7.913 -17.099 -51.655 1.00 0.00 O ATOM 745 CB THR A 214 -8.580 -19.097 -49.104 1.00 0.00 C ATOM 746 OG1 THR A 214 -7.901 -19.749 -48.049 1.00 0.00 O ATOM 747 CG2 THR A 214 -8.497 -20.032 -50.313 1.00 0.00 C ATOM 0 H THR A 214 -8.695 -17.244 -47.436 1.00 0.00 H new ATOM 0 HA THR A 214 -6.891 -17.837 -49.508 1.00 0.00 H new ATOM 0 HB THR A 214 -9.629 -18.906 -48.876 1.00 0.00 H new ATOM 0 HG1 THR A 214 -8.253 -19.435 -47.190 1.00 0.00 H new ATOM 0 HG21 THR A 214 -8.952 -20.991 -50.064 1.00 0.00 H new ATOM 0 HG22 THR A 214 -9.027 -19.586 -51.155 1.00 0.00 H new ATOM 0 HG23 THR A 214 -7.452 -20.186 -50.583 1.00 0.00 H new ATOM 755 N LYS A 215 -9.749 -16.449 -50.533 1.00 0.00 N ATOM 756 CA LYS A 215 -10.388 -15.758 -51.669 1.00 0.00 C ATOM 757 C LYS A 215 -9.509 -14.619 -52.199 1.00 0.00 C ATOM 758 O LYS A 215 -9.318 -14.506 -53.409 1.00 0.00 O ATOM 759 CB LYS A 215 -11.784 -15.263 -51.247 1.00 0.00 C ATOM 760 CG LYS A 215 -12.580 -14.672 -52.421 1.00 0.00 C ATOM 761 CD LYS A 215 -13.971 -14.212 -51.958 1.00 0.00 C ATOM 762 CE LYS A 215 -14.821 -13.680 -53.118 1.00 0.00 C ATOM 763 NZ LYS A 215 -14.271 -12.426 -53.679 1.00 0.00 N ATOM 0 H LYS A 215 -10.300 -16.412 -49.675 1.00 0.00 H new ATOM 0 HA LYS A 215 -10.506 -16.461 -52.493 1.00 0.00 H new ATOM 0 HB2 LYS A 215 -12.344 -16.092 -50.814 1.00 0.00 H new ATOM 0 HB3 LYS A 215 -11.678 -14.508 -50.468 1.00 0.00 H new ATOM 0 HG2 LYS A 215 -12.036 -13.829 -52.848 1.00 0.00 H new ATOM 0 HG3 LYS A 215 -12.682 -15.418 -53.210 1.00 0.00 H new ATOM 0 HD2 LYS A 215 -14.488 -15.046 -51.483 1.00 0.00 H new ATOM 0 HD3 LYS A 215 -13.862 -13.433 -51.203 1.00 0.00 H new ATOM 0 HE2 LYS A 215 -14.876 -14.435 -53.903 1.00 0.00 H new ATOM 0 HE3 LYS A 215 -15.839 -13.506 -52.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 215 -14.894 -12.083 -54.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 215 -14.210 -11.708 -52.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 215 -13.322 -12.605 -54.065 1.00 0.00 H new ATOM 777 N LEU A 216 -8.934 -13.809 -51.306 1.00 0.00 N ATOM 778 CA LEU A 216 -8.020 -12.718 -51.657 1.00 0.00 C ATOM 779 C LEU A 216 -6.746 -13.270 -52.322 1.00 0.00 C ATOM 780 O LEU A 216 -6.353 -12.789 -53.386 1.00 0.00 O ATOM 781 CB LEU A 216 -7.748 -11.890 -50.382 1.00 0.00 C ATOM 782 CG LEU A 216 -6.956 -10.574 -50.526 1.00 0.00 C ATOM 783 CD1 LEU A 216 -5.449 -10.779 -50.694 1.00 0.00 C ATOM 784 CD2 LEU A 216 -7.465 -9.688 -51.663 1.00 0.00 C ATOM 0 H LEU A 216 -9.093 -13.894 -50.302 1.00 0.00 H new ATOM 0 HA LEU A 216 -8.465 -12.054 -52.398 1.00 0.00 H new ATOM 0 HB2 LEU A 216 -8.710 -11.652 -49.927 1.00 0.00 H new ATOM 0 HB3 LEU A 216 -7.211 -12.527 -49.679 1.00 0.00 H new ATOM 0 HG LEU A 216 -7.129 -10.066 -49.577 1.00 0.00 H new ATOM 0 HD11 LEU A 216 -4.958 -9.810 -50.789 1.00 0.00 H new ATOM 0 HD12 LEU A 216 -5.054 -11.302 -49.823 1.00 0.00 H new ATOM 0 HD13 LEU A 216 -5.260 -11.371 -51.589 1.00 0.00 H new ATOM 0 HD21 LEU A 216 -6.866 -8.778 -51.711 1.00 0.00 H new ATOM 0 HD22 LEU A 216 -7.384 -10.226 -52.608 1.00 0.00 H new ATOM 0 HD23 LEU A 216 -8.508 -9.427 -51.482 1.00 0.00 H new ATOM 796 N LYS A 217 -6.128 -14.311 -51.744 1.00 0.00 N ATOM 797 CA LYS A 217 -4.933 -14.973 -52.304 1.00 0.00 C ATOM 798 C LYS A 217 -5.215 -15.554 -53.698 1.00 0.00 C ATOM 799 O LYS A 217 -4.423 -15.367 -54.619 1.00 0.00 O ATOM 800 CB LYS A 217 -4.423 -16.038 -51.307 1.00 0.00 C ATOM 801 CG LYS A 217 -2.893 -16.091 -51.162 1.00 0.00 C ATOM 802 CD LYS A 217 -2.152 -16.559 -52.420 1.00 0.00 C ATOM 803 CE LYS A 217 -0.654 -16.676 -52.127 1.00 0.00 C ATOM 804 NZ LYS A 217 0.095 -17.129 -53.318 1.00 0.00 N ATOM 0 H LYS A 217 -6.444 -14.723 -50.866 1.00 0.00 H new ATOM 0 HA LYS A 217 -4.143 -14.235 -52.444 1.00 0.00 H new ATOM 0 HB2 LYS A 217 -4.862 -15.842 -50.329 1.00 0.00 H new ATOM 0 HB3 LYS A 217 -4.780 -17.017 -51.626 1.00 0.00 H new ATOM 0 HG2 LYS A 217 -2.532 -15.099 -50.890 1.00 0.00 H new ATOM 0 HG3 LYS A 217 -2.642 -16.759 -50.338 1.00 0.00 H new ATOM 0 HD2 LYS A 217 -2.544 -17.522 -52.747 1.00 0.00 H new ATOM 0 HD3 LYS A 217 -2.318 -15.854 -53.235 1.00 0.00 H new ATOM 0 HE2 LYS A 217 -0.269 -15.710 -51.799 1.00 0.00 H new ATOM 0 HE3 LYS A 217 -0.496 -17.377 -51.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 217 1.107 -17.198 -53.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 217 -0.257 -18.062 -53.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 217 -0.037 -16.447 -54.092 1.00 0.00 H new ATOM 818 N LEU A 218 -6.365 -16.209 -53.879 1.00 0.00 N ATOM 819 CA LEU A 218 -6.827 -16.758 -55.160 1.00 0.00 C ATOM 820 C LEU A 218 -7.014 -15.634 -56.195 1.00 0.00 C ATOM 821 O LEU A 218 -6.511 -15.737 -57.314 1.00 0.00 O ATOM 822 CB LEU A 218 -8.110 -17.574 -54.889 1.00 0.00 C ATOM 823 CG LEU A 218 -8.727 -18.385 -56.045 1.00 0.00 C ATOM 824 CD1 LEU A 218 -9.468 -17.529 -57.073 1.00 0.00 C ATOM 825 CD2 LEU A 218 -7.699 -19.263 -56.758 1.00 0.00 C ATOM 0 H LEU A 218 -7.021 -16.378 -53.116 1.00 0.00 H new ATOM 0 HA LEU A 218 -6.086 -17.427 -55.597 1.00 0.00 H new ATOM 0 HB2 LEU A 218 -7.895 -18.267 -54.076 1.00 0.00 H new ATOM 0 HB3 LEU A 218 -8.871 -16.883 -54.526 1.00 0.00 H new ATOM 0 HG LEU A 218 -9.463 -19.025 -55.559 1.00 0.00 H new ATOM 0 HD11 LEU A 218 -9.874 -18.170 -57.855 1.00 0.00 H new ATOM 0 HD12 LEU A 218 -10.282 -16.995 -56.583 1.00 0.00 H new ATOM 0 HD13 LEU A 218 -8.777 -16.811 -57.515 1.00 0.00 H new ATOM 0 HD21 LEU A 218 -8.186 -19.813 -57.563 1.00 0.00 H new ATOM 0 HD22 LEU A 218 -6.910 -18.636 -57.172 1.00 0.00 H new ATOM 0 HD23 LEU A 218 -7.267 -19.968 -56.047 1.00 0.00 H new ATOM 837 N MET A 219 -7.671 -14.532 -55.817 1.00 0.00 N ATOM 838 CA MET A 219 -7.850 -13.359 -56.683 1.00 0.00 C ATOM 839 C MET A 219 -6.495 -12.765 -57.112 1.00 0.00 C ATOM 840 O MET A 219 -6.312 -12.430 -58.284 1.00 0.00 O ATOM 841 CB MET A 219 -8.732 -12.323 -55.966 1.00 0.00 C ATOM 842 CG MET A 219 -9.106 -11.131 -56.855 1.00 0.00 C ATOM 843 SD MET A 219 -10.089 -11.549 -58.324 1.00 0.00 S ATOM 844 CE MET A 219 -10.274 -9.894 -59.040 1.00 0.00 C ATOM 0 H MET A 219 -8.097 -14.427 -54.896 1.00 0.00 H new ATOM 0 HA MET A 219 -8.354 -13.666 -57.599 1.00 0.00 H new ATOM 0 HB2 MET A 219 -9.644 -12.809 -55.619 1.00 0.00 H new ATOM 0 HB3 MET A 219 -8.208 -11.959 -55.082 1.00 0.00 H new ATOM 0 HG2 MET A 219 -9.663 -10.411 -56.256 1.00 0.00 H new ATOM 0 HG3 MET A 219 -8.190 -10.636 -57.178 1.00 0.00 H new ATOM 0 HE1 MET A 219 -10.857 -9.958 -59.958 1.00 0.00 H new ATOM 0 HE2 MET A 219 -10.786 -9.245 -58.329 1.00 0.00 H new ATOM 0 HE3 MET A 219 -9.290 -9.482 -59.263 1.00 0.00 H new ATOM 854 N ALA A 220 -5.523 -12.681 -56.195 1.00 0.00 N ATOM 855 CA ALA A 220 -4.167 -12.212 -56.491 1.00 0.00 C ATOM 856 C ALA A 220 -3.446 -13.153 -57.482 1.00 0.00 C ATOM 857 O ALA A 220 -2.847 -12.681 -58.451 1.00 0.00 O ATOM 858 CB ALA A 220 -3.394 -12.055 -55.175 1.00 0.00 C ATOM 0 H ALA A 220 -5.659 -12.940 -55.218 1.00 0.00 H new ATOM 0 HA ALA A 220 -4.220 -11.241 -56.983 1.00 0.00 H new ATOM 0 HB1 ALA A 220 -2.383 -11.706 -55.386 1.00 0.00 H new ATOM 0 HB2 ALA A 220 -3.902 -11.331 -54.539 1.00 0.00 H new ATOM 0 HB3 ALA A 220 -3.347 -13.017 -54.664 1.00 0.00 H new ATOM 864 N ARG A 221 -3.550 -14.479 -57.287 1.00 0.00 N ATOM 865 CA ARG A 221 -2.994 -15.516 -58.186 1.00 0.00 C ATOM 866 C ARG A 221 -3.584 -15.432 -59.600 1.00 0.00 C ATOM 867 O ARG A 221 -2.862 -15.623 -60.579 1.00 0.00 O ATOM 868 CB ARG A 221 -3.250 -16.912 -57.591 1.00 0.00 C ATOM 869 CG ARG A 221 -2.323 -17.246 -56.410 1.00 0.00 C ATOM 870 CD ARG A 221 -2.887 -18.379 -55.540 1.00 0.00 C ATOM 871 NE ARG A 221 -3.196 -19.596 -56.314 1.00 0.00 N ATOM 872 CZ ARG A 221 -3.993 -20.581 -55.931 1.00 0.00 C ATOM 873 NH1 ARG A 221 -4.592 -20.596 -54.768 1.00 0.00 N ATOM 874 NH2 ARG A 221 -4.209 -21.595 -56.723 1.00 0.00 N ATOM 0 H ARG A 221 -4.034 -14.873 -56.481 1.00 0.00 H new ATOM 0 HA ARG A 221 -1.922 -15.340 -58.270 1.00 0.00 H new ATOM 0 HB2 ARG A 221 -4.287 -16.974 -57.260 1.00 0.00 H new ATOM 0 HB3 ARG A 221 -3.119 -17.662 -58.371 1.00 0.00 H new ATOM 0 HG2 ARG A 221 -1.342 -17.533 -56.789 1.00 0.00 H new ATOM 0 HG3 ARG A 221 -2.180 -16.355 -55.798 1.00 0.00 H new ATOM 0 HD2 ARG A 221 -2.167 -18.624 -54.759 1.00 0.00 H new ATOM 0 HD3 ARG A 221 -3.792 -18.032 -55.041 1.00 0.00 H new ATOM 0 HE ARG A 221 -2.755 -19.687 -57.229 1.00 0.00 H new ATOM 0 HH11 ARG A 221 -4.453 -19.827 -54.113 1.00 0.00 H new ATOM 0 HH12 ARG A 221 -5.198 -21.377 -54.516 1.00 0.00 H new ATOM 0 HH21 ARG A 221 -3.763 -21.630 -57.640 1.00 0.00 H new ATOM 0 HH22 ARG A 221 -4.824 -22.353 -56.425 1.00 0.00 H new ATOM 888 N TYR A 222 -4.879 -15.128 -59.709 1.00 0.00 N ATOM 889 CA TYR A 222 -5.602 -14.947 -60.978 1.00 0.00 C ATOM 890 C TYR A 222 -5.297 -13.590 -61.658 1.00 0.00 C ATOM 891 O TYR A 222 -5.674 -13.381 -62.815 1.00 0.00 O ATOM 892 CB TYR A 222 -7.117 -15.096 -60.727 1.00 0.00 C ATOM 893 CG TYR A 222 -7.683 -16.507 -60.593 1.00 0.00 C ATOM 894 CD1 TYR A 222 -6.871 -17.633 -60.326 1.00 0.00 C ATOM 895 CD2 TYR A 222 -9.072 -16.685 -60.760 1.00 0.00 C ATOM 896 CE1 TYR A 222 -7.443 -18.917 -60.235 1.00 0.00 C ATOM 897 CE2 TYR A 222 -9.648 -17.968 -60.669 1.00 0.00 C ATOM 898 CZ TYR A 222 -8.833 -19.089 -60.405 1.00 0.00 C ATOM 899 OH TYR A 222 -9.377 -20.334 -60.312 1.00 0.00 O ATOM 0 H TYR A 222 -5.476 -14.996 -58.893 1.00 0.00 H new ATOM 0 HA TYR A 222 -5.257 -15.719 -61.666 1.00 0.00 H new ATOM 0 HB2 TYR A 222 -7.360 -14.550 -59.815 1.00 0.00 H new ATOM 0 HB3 TYR A 222 -7.642 -14.601 -61.544 1.00 0.00 H new ATOM 0 HD1 TYR A 222 -5.807 -17.508 -60.191 1.00 0.00 H new ATOM 0 HD2 TYR A 222 -9.700 -15.830 -60.960 1.00 0.00 H new ATOM 0 HE1 TYR A 222 -6.815 -19.773 -60.034 1.00 0.00 H new ATOM 0 HE2 TYR A 222 -10.713 -18.093 -60.801 1.00 0.00 H new ATOM 0 HH TYR A 222 -10.345 -20.279 -60.453 1.00 0.00 H new ATOM 909 N GLY A 223 -4.610 -12.674 -60.966 1.00 0.00 N ATOM 910 CA GLY A 223 -4.221 -11.341 -61.439 1.00 0.00 C ATOM 911 C GLY A 223 -2.731 -11.232 -61.798 1.00 0.00 C ATOM 912 O GLY A 223 -2.059 -12.234 -62.063 1.00 0.00 O ATOM 0 H GLY A 223 -4.294 -12.852 -60.012 1.00 0.00 H new ATOM 0 HA2 GLY A 223 -4.818 -11.086 -62.315 1.00 0.00 H new ATOM 0 HA3 GLY A 223 -4.456 -10.607 -60.668 1.00 0.00 H new ATOM 916 N ARG A 224 -2.218 -9.993 -61.818 1.00 0.00 N ATOM 917 CA ARG A 224 -0.820 -9.648 -62.143 1.00 0.00 C ATOM 918 C ARG A 224 -0.294 -8.519 -61.245 1.00 0.00 C ATOM 919 O ARG A 224 -0.593 -7.343 -61.459 1.00 0.00 O ATOM 920 CB ARG A 224 -0.659 -9.351 -63.652 1.00 0.00 C ATOM 921 CG ARG A 224 -1.723 -8.420 -64.270 1.00 0.00 C ATOM 922 CD ARG A 224 -1.410 -8.074 -65.734 1.00 0.00 C ATOM 923 NE ARG A 224 -0.220 -7.210 -65.866 1.00 0.00 N ATOM 924 CZ ARG A 224 -0.176 -5.895 -65.714 1.00 0.00 C ATOM 925 NH1 ARG A 224 -1.230 -5.176 -65.424 1.00 0.00 N ATOM 926 NH2 ARG A 224 0.955 -5.256 -65.856 1.00 0.00 N ATOM 0 H ARG A 224 -2.783 -9.172 -61.601 1.00 0.00 H new ATOM 0 HA ARG A 224 -0.195 -10.515 -61.929 1.00 0.00 H new ATOM 0 HB2 ARG A 224 0.323 -8.906 -63.813 1.00 0.00 H new ATOM 0 HB3 ARG A 224 -0.673 -10.297 -64.193 1.00 0.00 H new ATOM 0 HG2 ARG A 224 -2.700 -8.899 -64.212 1.00 0.00 H new ATOM 0 HG3 ARG A 224 -1.783 -7.502 -63.686 1.00 0.00 H new ATOM 0 HD2 ARG A 224 -1.252 -8.994 -66.296 1.00 0.00 H new ATOM 0 HD3 ARG A 224 -2.270 -7.573 -66.178 1.00 0.00 H new ATOM 0 HE ARG A 224 0.658 -7.673 -66.098 1.00 0.00 H new ATOM 0 HH11 ARG A 224 -2.137 -5.626 -65.305 1.00 0.00 H new ATOM 0 HH12 ARG A 224 -1.144 -4.165 -65.317 1.00 0.00 H new ATOM 0 HH21 ARG A 224 1.806 -5.770 -66.084 1.00 0.00 H new ATOM 0 HH22 ARG A 224 0.987 -4.243 -65.739 1.00 0.00 H new ATOM 940 N LEU A 225 0.475 -8.890 -60.220 1.00 0.00 N ATOM 941 CA LEU A 225 1.071 -7.987 -59.227 1.00 0.00 C ATOM 942 C LEU A 225 2.433 -8.545 -58.761 1.00 0.00 C ATOM 943 O LEU A 225 2.521 -9.284 -57.778 1.00 0.00 O ATOM 944 CB LEU A 225 0.060 -7.756 -58.078 1.00 0.00 C ATOM 945 CG LEU A 225 0.265 -6.448 -57.286 1.00 0.00 C ATOM 946 CD1 LEU A 225 -0.833 -6.321 -56.229 1.00 0.00 C ATOM 947 CD2 LEU A 225 1.615 -6.343 -56.572 1.00 0.00 C ATOM 0 H LEU A 225 0.711 -9.868 -60.050 1.00 0.00 H new ATOM 0 HA LEU A 225 1.280 -7.010 -59.662 1.00 0.00 H new ATOM 0 HB2 LEU A 225 -0.947 -7.758 -58.494 1.00 0.00 H new ATOM 0 HB3 LEU A 225 0.120 -8.596 -57.386 1.00 0.00 H new ATOM 0 HG LEU A 225 0.229 -5.648 -58.026 1.00 0.00 H new ATOM 0 HD11 LEU A 225 -0.692 -5.398 -55.667 1.00 0.00 H new ATOM 0 HD12 LEU A 225 -1.808 -6.303 -56.717 1.00 0.00 H new ATOM 0 HD13 LEU A 225 -0.783 -7.171 -55.549 1.00 0.00 H new ATOM 0 HD21 LEU A 225 1.673 -5.393 -56.041 1.00 0.00 H new ATOM 0 HD22 LEU A 225 1.715 -7.163 -55.861 1.00 0.00 H new ATOM 0 HD23 LEU A 225 2.420 -6.399 -57.305 1.00 0.00 H new ATOM 959 N ALA A 226 3.496 -8.193 -59.496 1.00 0.00 N ATOM 960 CA ALA A 226 4.896 -8.589 -59.256 1.00 0.00 C ATOM 961 C ALA A 226 5.144 -10.110 -59.055 1.00 0.00 C ATOM 962 O ALA A 226 6.088 -10.514 -58.371 1.00 0.00 O ATOM 963 CB ALA A 226 5.459 -7.708 -58.128 1.00 0.00 C ATOM 0 H ALA A 226 3.401 -7.594 -60.316 1.00 0.00 H new ATOM 0 HA ALA A 226 5.453 -8.409 -60.176 1.00 0.00 H new ATOM 0 HB1 ALA A 226 6.495 -7.984 -57.933 1.00 0.00 H new ATOM 0 HB2 ALA A 226 5.412 -6.661 -58.427 1.00 0.00 H new ATOM 0 HB3 ALA A 226 4.869 -7.854 -57.223 1.00 0.00 H new ATOM 969 N ASP A 227 4.301 -10.967 -59.645 1.00 0.00 N ATOM 970 CA ASP A 227 4.379 -12.434 -59.550 1.00 0.00 C ATOM 971 C ASP A 227 5.719 -12.979 -60.074 1.00 0.00 C ATOM 972 O ASP A 227 6.110 -14.116 -59.776 1.00 0.00 O ATOM 973 CB ASP A 227 3.201 -13.067 -60.309 1.00 0.00 C ATOM 974 CG ASP A 227 1.851 -12.710 -59.681 1.00 0.00 C ATOM 975 OD1 ASP A 227 1.281 -11.669 -60.087 1.00 0.00 O ATOM 976 OD2 ASP A 227 1.396 -13.470 -58.794 1.00 0.00 O ATOM 0 H ASP A 227 3.520 -10.650 -60.220 1.00 0.00 H new ATOM 0 HA ASP A 227 4.318 -12.705 -58.496 1.00 0.00 H new ATOM 0 HB2 ASP A 227 3.217 -12.733 -61.346 1.00 0.00 H new ATOM 0 HB3 ASP A 227 3.319 -14.151 -60.322 1.00 0.00 H new TER 981 ASP A 227 HETATM 982 ZN ZN A 301 -9.839 -11.207 -41.604 1.00 0.00 ZN