USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=12 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 28:sc= 0.106 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 X(o=0,f=0) USER MOD Single : A 176 GLN : amide:sc= 0.103 X(o=0.1,f=-0.11) USER MOD Single : A 177 ASN : amide:sc= 0.0411 X(o=0.041,f=-0.34) USER MOD Single : A 180 MET CE :methyl -175:sc= 0 (180deg=-0.0153) 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=-0.0046) USER MOD Single : A 193 THR OG1 : rot 180:sc= 0 USER MOD Single : A 195 ASN : amide:sc= -0.0919 X(o=-0.092,f=-0.092) 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) USER MOD Single : A 202 GLN : amide:sc= -0.0715 X(o=-0.071,f=-0.1) USER MOD Single : A 204 TYR OH : rot 74:sc= 0 USER MOD Single : A 207 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 208 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0385) USER MOD Single : A 211 LYS NZ :NH3+ 169:sc= -0.763 (180deg=-1) USER MOD Single : A 212 GLN : amide:sc= -0.0079 X(o=-0.0079,f=-0.016) USER MOD Single : A 214 THR OG1 : rot 79:sc= 1.11 USER MOD Single : A 215 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 217 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0843) USER MOD Single : A 219 MET CE :methyl 151:sc= 0 (180deg=-0.00858) USER MOD Single : A 222 TYR OH : rot 180:sc= 0.0761 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 168 9.339 1.834 -11.009 1.00 0.00 N ATOM 2 CA SER A 168 8.592 3.037 -11.407 1.00 0.00 C ATOM 3 C SER A 168 8.384 4.050 -10.264 1.00 0.00 C ATOM 4 O SER A 168 7.734 5.077 -10.468 1.00 0.00 O ATOM 5 CB SER A 168 7.236 2.639 -12.012 1.00 0.00 C ATOM 6 OG SER A 168 7.414 1.732 -13.095 1.00 0.00 O ATOM 0 HA SER A 168 9.206 3.543 -12.153 1.00 0.00 H new ATOM 0 HB2 SER A 168 6.611 2.180 -11.246 1.00 0.00 H new ATOM 0 HB3 SER A 168 6.712 3.529 -12.359 1.00 0.00 H new ATOM 0 HG SER A 168 8.235 1.215 -12.957 1.00 0.00 H new ATOM 12 N THR A 169 8.926 3.755 -9.072 1.00 0.00 N ATOM 13 CA THR A 169 8.878 4.553 -7.819 1.00 0.00 C ATOM 14 C THR A 169 7.498 5.133 -7.439 1.00 0.00 C ATOM 15 O THR A 169 7.398 6.164 -6.765 1.00 0.00 O ATOM 16 CB THR A 169 10.007 5.610 -7.759 1.00 0.00 C ATOM 17 OG1 THR A 169 9.941 6.537 -8.826 1.00 0.00 O ATOM 18 CG2 THR A 169 11.393 4.958 -7.811 1.00 0.00 C ATOM 0 H THR A 169 9.450 2.890 -8.940 1.00 0.00 H new ATOM 0 HA THR A 169 9.063 3.820 -7.034 1.00 0.00 H new ATOM 0 HB THR A 169 9.860 6.129 -6.812 1.00 0.00 H new ATOM 0 HG1 THR A 169 10.673 7.184 -8.743 1.00 0.00 H new ATOM 0 HG21 THR A 169 12.160 5.731 -7.767 1.00 0.00 H new ATOM 0 HG22 THR A 169 11.509 4.282 -6.964 1.00 0.00 H new ATOM 0 HG23 THR A 169 11.496 4.397 -8.740 1.00 0.00 H new ATOM 26 N LYS A 170 6.416 4.457 -7.853 1.00 0.00 N ATOM 27 CA LYS A 170 5.006 4.820 -7.615 1.00 0.00 C ATOM 28 C LYS A 170 4.131 3.560 -7.532 1.00 0.00 C ATOM 29 O LYS A 170 4.457 2.538 -8.139 1.00 0.00 O ATOM 30 CB LYS A 170 4.563 5.752 -8.765 1.00 0.00 C ATOM 31 CG LYS A 170 3.200 6.429 -8.542 1.00 0.00 C ATOM 32 CD LYS A 170 2.892 7.414 -9.681 1.00 0.00 C ATOM 33 CE LYS A 170 1.560 8.149 -9.478 1.00 0.00 C ATOM 34 NZ LYS A 170 0.397 7.244 -9.608 1.00 0.00 N ATOM 0 H LYS A 170 6.503 3.596 -8.392 1.00 0.00 H new ATOM 0 HA LYS A 170 4.895 5.338 -6.662 1.00 0.00 H new ATOM 0 HB2 LYS A 170 5.320 6.524 -8.904 1.00 0.00 H new ATOM 0 HB3 LYS A 170 4.522 5.175 -9.689 1.00 0.00 H new ATOM 0 HG2 LYS A 170 2.417 5.673 -8.486 1.00 0.00 H new ATOM 0 HG3 LYS A 170 3.202 6.957 -7.588 1.00 0.00 H new ATOM 0 HD2 LYS A 170 3.698 8.144 -9.754 1.00 0.00 H new ATOM 0 HD3 LYS A 170 2.865 6.873 -10.627 1.00 0.00 H new ATOM 0 HE2 LYS A 170 1.549 8.612 -8.491 1.00 0.00 H new ATOM 0 HE3 LYS A 170 1.476 8.953 -10.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -0.480 7.783 -9.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 0.391 6.821 -10.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 0.462 6.491 -8.894 1.00 0.00 H new ATOM 48 N VAL A 171 3.016 3.635 -6.797 1.00 0.00 N ATOM 49 CA VAL A 171 2.045 2.528 -6.620 1.00 0.00 C ATOM 50 C VAL A 171 1.407 2.093 -7.954 1.00 0.00 C ATOM 51 O VAL A 171 1.115 0.912 -8.148 1.00 0.00 O ATOM 52 CB VAL A 171 0.955 2.925 -5.596 1.00 0.00 C ATOM 53 CG1 VAL A 171 -0.052 1.798 -5.324 1.00 0.00 C ATOM 54 CG2 VAL A 171 1.577 3.303 -4.241 1.00 0.00 C ATOM 0 H VAL A 171 2.750 4.482 -6.294 1.00 0.00 H new ATOM 0 HA VAL A 171 2.597 1.670 -6.236 1.00 0.00 H new ATOM 0 HB VAL A 171 0.439 3.773 -6.047 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -0.791 2.138 -4.598 1.00 0.00 H new ATOM 0 HG12 VAL A 171 -0.554 1.527 -6.253 1.00 0.00 H new ATOM 0 HG13 VAL A 171 0.473 0.929 -4.928 1.00 0.00 H new ATOM 0 HG21 VAL A 171 0.787 3.577 -3.542 1.00 0.00 H new ATOM 0 HG22 VAL A 171 2.132 2.452 -3.846 1.00 0.00 H new ATOM 0 HG23 VAL A 171 2.253 4.148 -4.374 1.00 0.00 H new ATOM 64 N GLU A 172 1.242 3.038 -8.889 1.00 0.00 N ATOM 65 CA GLU A 172 0.669 2.843 -10.233 1.00 0.00 C ATOM 66 C GLU A 172 -0.791 2.318 -10.228 1.00 0.00 C ATOM 67 O GLU A 172 -1.462 2.335 -9.192 1.00 0.00 O ATOM 68 CB GLU A 172 1.649 2.006 -11.094 1.00 0.00 C ATOM 69 CG GLU A 172 1.796 2.514 -12.537 1.00 0.00 C ATOM 70 CD GLU A 172 2.598 3.823 -12.602 1.00 0.00 C ATOM 71 OE1 GLU A 172 1.965 4.902 -12.513 1.00 0.00 O ATOM 72 OE2 GLU A 172 3.844 3.749 -12.723 1.00 0.00 O ATOM 0 H GLU A 172 1.517 4.006 -8.724 1.00 0.00 H new ATOM 0 HA GLU A 172 0.564 3.820 -10.704 1.00 0.00 H new ATOM 0 HB2 GLU A 172 2.629 2.007 -10.617 1.00 0.00 H new ATOM 0 HB3 GLU A 172 1.306 0.972 -11.116 1.00 0.00 H new ATOM 0 HG2 GLU A 172 2.291 1.754 -13.141 1.00 0.00 H new ATOM 0 HG3 GLU A 172 0.808 2.671 -12.969 1.00 0.00 H new ATOM 79 N ALA A 173 -1.308 1.893 -11.393 1.00 0.00 N ATOM 80 CA ALA A 173 -2.682 1.399 -11.602 1.00 0.00 C ATOM 81 C ALA A 173 -3.798 2.351 -11.096 1.00 0.00 C ATOM 82 O ALA A 173 -4.885 1.909 -10.713 1.00 0.00 O ATOM 83 CB ALA A 173 -2.782 -0.037 -11.058 1.00 0.00 C ATOM 0 H ALA A 173 -0.758 1.883 -12.252 1.00 0.00 H new ATOM 0 HA ALA A 173 -2.874 1.379 -12.675 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -3.794 -0.413 -11.207 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -2.076 -0.677 -11.587 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -2.547 -0.040 -9.994 1.00 0.00 H new ATOM 89 N LEU A 174 -3.531 3.666 -11.097 1.00 0.00 N ATOM 90 CA LEU A 174 -4.411 4.746 -10.619 1.00 0.00 C ATOM 91 C LEU A 174 -5.871 4.719 -11.120 1.00 0.00 C ATOM 92 O LEU A 174 -6.764 5.207 -10.424 1.00 0.00 O ATOM 93 CB LEU A 174 -3.740 6.116 -10.872 1.00 0.00 C ATOM 94 CG LEU A 174 -3.768 6.667 -12.317 1.00 0.00 C ATOM 95 CD1 LEU A 174 -3.173 8.076 -12.329 1.00 0.00 C ATOM 96 CD2 LEU A 174 -2.969 5.827 -13.318 1.00 0.00 C ATOM 0 H LEU A 174 -2.645 4.026 -11.451 1.00 0.00 H new ATOM 0 HA LEU A 174 -4.524 4.568 -9.550 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -4.217 6.850 -10.223 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -2.698 6.044 -10.559 1.00 0.00 H new ATOM 0 HG LEU A 174 -4.814 6.648 -12.624 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -3.190 8.470 -13.345 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -3.760 8.724 -11.679 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -2.144 8.039 -11.971 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -3.038 6.278 -14.308 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -1.925 5.788 -13.008 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -3.376 4.816 -13.351 1.00 0.00 H new ATOM 108 N HIS A 175 -6.129 4.145 -12.302 1.00 0.00 N ATOM 109 CA HIS A 175 -7.478 4.019 -12.882 1.00 0.00 C ATOM 110 C HIS A 175 -8.377 3.022 -12.127 1.00 0.00 C ATOM 111 O HIS A 175 -9.600 3.145 -12.183 1.00 0.00 O ATOM 112 CB HIS A 175 -7.355 3.637 -14.368 1.00 0.00 C ATOM 113 CG HIS A 175 -6.510 4.603 -15.165 1.00 0.00 C ATOM 114 ND1 HIS A 175 -6.692 5.972 -15.239 1.00 0.00 N ATOM 115 CD2 HIS A 175 -5.419 4.288 -15.928 1.00 0.00 C ATOM 116 CE1 HIS A 175 -5.729 6.482 -16.031 1.00 0.00 C ATOM 117 NE2 HIS A 175 -4.945 5.473 -16.460 1.00 0.00 N ATOM 0 H HIS A 175 -5.398 3.749 -12.893 1.00 0.00 H new ATOM 0 HA HIS A 175 -7.970 4.987 -12.784 1.00 0.00 H new ATOM 0 HB2 HIS A 175 -6.924 2.639 -14.445 1.00 0.00 H new ATOM 0 HB3 HIS A 175 -8.351 3.589 -14.807 1.00 0.00 H new ATOM 0 HD2 HIS A 175 -5.007 3.302 -16.085 1.00 0.00 H new ATOM 0 HE1 HIS A 175 -5.606 7.525 -16.281 1.00 0.00 H new ATOM 0 HE2 HIS A 175 -4.137 5.568 -17.075 1.00 0.00 H new ATOM 126 N GLN A 176 -7.779 2.054 -11.418 1.00 0.00 N ATOM 127 CA GLN A 176 -8.399 1.002 -10.586 1.00 0.00 C ATOM 128 C GLN A 176 -9.493 0.121 -11.253 1.00 0.00 C ATOM 129 O GLN A 176 -10.101 -0.718 -10.586 1.00 0.00 O ATOM 130 CB GLN A 176 -8.816 1.660 -9.247 1.00 0.00 C ATOM 131 CG GLN A 176 -9.184 0.727 -8.078 1.00 0.00 C ATOM 132 CD GLN A 176 -8.131 -0.344 -7.793 1.00 0.00 C ATOM 133 OE1 GLN A 176 -7.176 -0.143 -7.052 1.00 0.00 O ATOM 134 NE2 GLN A 176 -8.257 -1.519 -8.374 1.00 0.00 N ATOM 0 H GLN A 176 -6.762 1.977 -11.408 1.00 0.00 H new ATOM 0 HA GLN A 176 -7.650 0.230 -10.413 1.00 0.00 H new ATOM 0 HB2 GLN A 176 -7.999 2.302 -8.920 1.00 0.00 H new ATOM 0 HB3 GLN A 176 -9.671 2.307 -9.443 1.00 0.00 H new ATOM 0 HG2 GLN A 176 -9.333 1.326 -7.180 1.00 0.00 H new ATOM 0 HG3 GLN A 176 -10.134 0.241 -8.298 1.00 0.00 H new ATOM 0 HE21 GLN A 176 -9.047 -1.700 -8.993 1.00 0.00 H new ATOM 0 HE22 GLN A 176 -7.564 -2.248 -8.205 1.00 0.00 H new ATOM 143 N ASN A 177 -9.744 0.264 -12.561 1.00 0.00 N ATOM 144 CA ASN A 177 -10.764 -0.476 -13.317 1.00 0.00 C ATOM 145 C ASN A 177 -10.292 -0.818 -14.750 1.00 0.00 C ATOM 146 O ASN A 177 -10.976 -0.537 -15.738 1.00 0.00 O ATOM 147 CB ASN A 177 -12.084 0.324 -13.273 1.00 0.00 C ATOM 148 CG ASN A 177 -13.237 -0.428 -13.929 1.00 0.00 C ATOM 149 OD1 ASN A 177 -13.442 -1.615 -13.711 1.00 0.00 O ATOM 150 ND2 ASN A 177 -14.023 0.227 -14.753 1.00 0.00 N ATOM 0 H ASN A 177 -9.224 0.921 -13.143 1.00 0.00 H new ATOM 0 HA ASN A 177 -10.939 -1.446 -12.852 1.00 0.00 H new ATOM 0 HB2 ASN A 177 -12.339 0.544 -12.236 1.00 0.00 H new ATOM 0 HB3 ASN A 177 -11.944 1.281 -13.776 1.00 0.00 H new ATOM 0 HD21 ASN A 177 -14.799 -0.254 -15.207 1.00 0.00 H new ATOM 0 HD22 ASN A 177 -13.857 1.216 -14.938 1.00 0.00 H new ATOM 157 N ARG A 178 -9.098 -1.414 -14.883 1.00 0.00 N ATOM 158 CA ARG A 178 -8.507 -1.836 -16.173 1.00 0.00 C ATOM 159 C ARG A 178 -9.138 -3.152 -16.671 1.00 0.00 C ATOM 160 O ARG A 178 -8.479 -4.184 -16.806 1.00 0.00 O ATOM 161 CB ARG A 178 -6.964 -1.852 -16.075 1.00 0.00 C ATOM 162 CG ARG A 178 -6.233 -1.422 -17.364 1.00 0.00 C ATOM 163 CD ARG A 178 -6.361 -2.351 -18.587 1.00 0.00 C ATOM 164 NE ARG A 178 -7.679 -2.294 -19.250 1.00 0.00 N ATOM 165 CZ ARG A 178 -8.162 -1.337 -20.022 1.00 0.00 C ATOM 166 NH1 ARG A 178 -7.499 -0.248 -20.316 1.00 0.00 N ATOM 167 NH2 ARG A 178 -9.359 -1.467 -20.520 1.00 0.00 N ATOM 0 H ARG A 178 -8.500 -1.623 -14.084 1.00 0.00 H new ATOM 0 HA ARG A 178 -8.746 -1.105 -16.946 1.00 0.00 H new ATOM 0 HB2 ARG A 178 -6.658 -1.193 -15.263 1.00 0.00 H new ATOM 0 HB3 ARG A 178 -6.641 -2.858 -15.808 1.00 0.00 H new ATOM 0 HG2 ARG A 178 -6.600 -0.436 -17.648 1.00 0.00 H new ATOM 0 HG3 ARG A 178 -5.174 -1.313 -17.132 1.00 0.00 H new ATOM 0 HD2 ARG A 178 -5.590 -2.089 -19.311 1.00 0.00 H new ATOM 0 HD3 ARG A 178 -6.168 -3.377 -18.273 1.00 0.00 H new ATOM 0 HE ARG A 178 -8.293 -3.093 -19.092 1.00 0.00 H new ATOM 0 HH11 ARG A 178 -6.560 -0.106 -19.943 1.00 0.00 H new ATOM 0 HH12 ARG A 178 -7.921 0.459 -20.918 1.00 0.00 H new ATOM 0 HH21 ARG A 178 -9.910 -2.300 -20.312 1.00 0.00 H new ATOM 0 HH22 ARG A 178 -9.745 -0.736 -21.118 1.00 0.00 H new ATOM 181 N GLU A 179 -10.449 -3.110 -16.901 1.00 0.00 N ATOM 182 CA GLU A 179 -11.287 -4.219 -17.384 1.00 0.00 C ATOM 183 C GLU A 179 -10.995 -4.609 -18.855 1.00 0.00 C ATOM 184 O GLU A 179 -10.065 -4.085 -19.475 1.00 0.00 O ATOM 185 CB GLU A 179 -12.771 -3.861 -17.151 1.00 0.00 C ATOM 186 CG GLU A 179 -13.279 -2.666 -17.976 1.00 0.00 C ATOM 187 CD GLU A 179 -14.773 -2.420 -17.722 1.00 0.00 C ATOM 188 OE1 GLU A 179 -15.599 -3.109 -18.370 1.00 0.00 O ATOM 189 OE2 GLU A 179 -15.101 -1.547 -16.882 1.00 0.00 O ATOM 0 H GLU A 179 -10.989 -2.258 -16.749 1.00 0.00 H new ATOM 0 HA GLU A 179 -11.040 -5.113 -16.811 1.00 0.00 H new ATOM 0 HB2 GLU A 179 -13.382 -4.733 -17.384 1.00 0.00 H new ATOM 0 HB3 GLU A 179 -12.917 -3.643 -16.093 1.00 0.00 H new ATOM 0 HG2 GLU A 179 -12.710 -1.773 -17.718 1.00 0.00 H new ATOM 0 HG3 GLU A 179 -13.113 -2.854 -19.037 1.00 0.00 H new ATOM 196 N MET A 180 -11.790 -5.525 -19.424 1.00 0.00 N ATOM 197 CA MET A 180 -11.684 -6.006 -20.813 1.00 0.00 C ATOM 198 C MET A 180 -11.483 -4.860 -21.829 1.00 0.00 C ATOM 199 O MET A 180 -12.213 -3.864 -21.815 1.00 0.00 O ATOM 200 CB MET A 180 -12.930 -6.859 -21.125 1.00 0.00 C ATOM 201 CG MET A 180 -12.984 -7.419 -22.555 1.00 0.00 C ATOM 202 SD MET A 180 -13.689 -6.318 -23.821 1.00 0.00 S ATOM 203 CE MET A 180 -15.453 -6.411 -23.406 1.00 0.00 C ATOM 0 H MET A 180 -12.553 -5.969 -18.913 1.00 0.00 H new ATOM 0 HA MET A 180 -10.789 -6.621 -20.911 1.00 0.00 H new ATOM 0 HB2 MET A 180 -12.969 -7.691 -20.422 1.00 0.00 H new ATOM 0 HB3 MET A 180 -13.820 -6.254 -20.953 1.00 0.00 H new ATOM 0 HG2 MET A 180 -11.971 -7.685 -22.858 1.00 0.00 H new ATOM 0 HG3 MET A 180 -13.565 -8.341 -22.540 1.00 0.00 H new ATOM 0 HE1 MET A 180 -16.031 -5.859 -24.147 1.00 0.00 H new ATOM 0 HE2 MET A 180 -15.771 -7.454 -23.401 1.00 0.00 H new ATOM 0 HE3 MET A 180 -15.618 -5.976 -22.420 1.00 0.00 H new ATOM 213 N ILE A 181 -10.486 -5.013 -22.710 1.00 0.00 N ATOM 214 CA ILE A 181 -10.116 -4.042 -23.750 1.00 0.00 C ATOM 215 C ILE A 181 -10.660 -4.474 -25.123 1.00 0.00 C ATOM 216 O ILE A 181 -10.661 -5.654 -25.475 1.00 0.00 O ATOM 217 CB ILE A 181 -8.585 -3.806 -23.727 1.00 0.00 C ATOM 218 CG1 ILE A 181 -8.119 -2.644 -24.631 1.00 0.00 C ATOM 219 CG2 ILE A 181 -7.780 -5.066 -24.099 1.00 0.00 C ATOM 220 CD1 ILE A 181 -8.699 -1.274 -24.261 1.00 0.00 C ATOM 0 H ILE A 181 -9.894 -5.844 -22.719 1.00 0.00 H new ATOM 0 HA ILE A 181 -10.583 -3.079 -23.543 1.00 0.00 H new ATOM 0 HB ILE A 181 -8.383 -3.538 -22.690 1.00 0.00 H new ATOM 0 HG12 ILE A 181 -7.031 -2.585 -24.593 1.00 0.00 H new ATOM 0 HG13 ILE A 181 -8.390 -2.872 -25.662 1.00 0.00 H new ATOM 0 HG21 ILE A 181 -6.714 -4.840 -24.066 1.00 0.00 H new ATOM 0 HG22 ILE A 181 -8.004 -5.863 -23.390 1.00 0.00 H new ATOM 0 HG23 ILE A 181 -8.052 -5.388 -25.104 1.00 0.00 H new ATOM 0 HD11 ILE A 181 -8.317 -0.519 -24.949 1.00 0.00 H new ATOM 0 HD12 ILE A 181 -9.786 -1.309 -24.328 1.00 0.00 H new ATOM 0 HD13 ILE A 181 -8.406 -1.018 -23.243 1.00 0.00 H new ATOM 232 N ASP A 182 -11.148 -3.501 -25.890 1.00 0.00 N ATOM 233 CA ASP A 182 -11.820 -3.655 -27.187 1.00 0.00 C ATOM 234 C ASP A 182 -11.220 -2.722 -28.263 1.00 0.00 C ATOM 235 O ASP A 182 -11.834 -1.717 -28.638 1.00 0.00 O ATOM 236 CB ASP A 182 -13.337 -3.464 -26.969 1.00 0.00 C ATOM 237 CG ASP A 182 -13.783 -2.059 -26.514 1.00 0.00 C ATOM 238 OD1 ASP A 182 -13.117 -1.462 -25.631 1.00 0.00 O ATOM 239 OD2 ASP A 182 -14.829 -1.587 -27.021 1.00 0.00 O ATOM 0 H ASP A 182 -11.083 -2.523 -25.609 1.00 0.00 H new ATOM 0 HA ASP A 182 -11.656 -4.658 -27.582 1.00 0.00 H new ATOM 0 HB2 ASP A 182 -13.851 -3.703 -27.900 1.00 0.00 H new ATOM 0 HB3 ASP A 182 -13.671 -4.188 -26.226 1.00 0.00 H new ATOM 244 N PRO A 183 -10.002 -3.020 -28.758 1.00 0.00 N ATOM 245 CA PRO A 183 -9.333 -2.199 -29.764 1.00 0.00 C ATOM 246 C PRO A 183 -9.970 -2.364 -31.152 1.00 0.00 C ATOM 247 O PRO A 183 -10.525 -3.414 -31.487 1.00 0.00 O ATOM 248 CB PRO A 183 -7.878 -2.682 -29.762 1.00 0.00 C ATOM 249 CG PRO A 183 -7.996 -4.159 -29.386 1.00 0.00 C ATOM 250 CD PRO A 183 -9.178 -4.177 -28.417 1.00 0.00 C ATOM 0 HA PRO A 183 -9.415 -1.137 -29.534 1.00 0.00 H new ATOM 0 HB2 PRO A 183 -7.410 -2.552 -30.738 1.00 0.00 H new ATOM 0 HB3 PRO A 183 -7.273 -2.131 -29.042 1.00 0.00 H new ATOM 0 HG2 PRO A 183 -8.182 -4.784 -30.260 1.00 0.00 H new ATOM 0 HG3 PRO A 183 -7.085 -4.530 -28.917 1.00 0.00 H new ATOM 0 HD2 PRO A 183 -9.747 -5.102 -28.514 1.00 0.00 H new ATOM 0 HD3 PRO A 183 -8.835 -4.120 -27.384 1.00 0.00 H new ATOM 258 N ASP A 184 -9.844 -1.336 -31.993 1.00 0.00 N ATOM 259 CA ASP A 184 -10.286 -1.392 -33.391 1.00 0.00 C ATOM 260 C ASP A 184 -9.303 -2.251 -34.210 1.00 0.00 C ATOM 261 O ASP A 184 -8.083 -2.110 -34.066 1.00 0.00 O ATOM 262 CB ASP A 184 -10.423 0.025 -33.973 1.00 0.00 C ATOM 263 CG ASP A 184 -9.090 0.776 -34.100 1.00 0.00 C ATOM 264 OD1 ASP A 184 -8.566 1.219 -33.050 1.00 0.00 O ATOM 265 OD2 ASP A 184 -8.610 0.932 -35.249 1.00 0.00 O ATOM 0 H ASP A 184 -9.433 -0.441 -31.726 1.00 0.00 H new ATOM 0 HA ASP A 184 -11.270 -1.858 -33.441 1.00 0.00 H new ATOM 0 HB2 ASP A 184 -10.887 -0.040 -34.957 1.00 0.00 H new ATOM 0 HB3 ASP A 184 -11.096 0.604 -33.340 1.00 0.00 H new ATOM 270 N LYS A 185 -9.818 -3.141 -35.066 1.00 0.00 N ATOM 271 CA LYS A 185 -9.031 -4.057 -35.900 1.00 0.00 C ATOM 272 C LYS A 185 -9.612 -4.138 -37.312 1.00 0.00 C ATOM 273 O LYS A 185 -10.783 -3.825 -37.532 1.00 0.00 O ATOM 274 CB LYS A 185 -9.011 -5.448 -35.237 1.00 0.00 C ATOM 275 CG LYS A 185 -8.206 -5.563 -33.932 1.00 0.00 C ATOM 276 CD LYS A 185 -6.696 -5.380 -34.142 1.00 0.00 C ATOM 277 CE LYS A 185 -5.952 -5.597 -32.822 1.00 0.00 C ATOM 278 NZ LYS A 185 -4.492 -5.453 -33.004 1.00 0.00 N ATOM 0 H LYS A 185 -10.823 -3.247 -35.202 1.00 0.00 H new ATOM 0 HA LYS A 185 -8.011 -3.683 -35.985 1.00 0.00 H new ATOM 0 HB2 LYS A 185 -10.040 -5.746 -35.033 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -8.608 -6.164 -35.953 1.00 0.00 H new ATOM 0 HG2 LYS A 185 -8.562 -4.815 -33.224 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -8.389 -6.539 -33.483 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -6.337 -6.086 -34.891 1.00 0.00 H new ATOM 0 HD3 LYS A 185 -6.492 -4.379 -34.523 1.00 0.00 H new ATOM 0 HE2 LYS A 185 -6.302 -4.878 -32.081 1.00 0.00 H new ATOM 0 HE3 LYS A 185 -6.177 -6.590 -32.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 -4.012 -5.605 -32.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 -4.157 -6.156 -33.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 -4.278 -4.497 -33.353 1.00 0.00 H new ATOM 292 N PHE A 186 -8.790 -4.573 -38.261 1.00 0.00 N ATOM 293 CA PHE A 186 -9.146 -4.705 -39.675 1.00 0.00 C ATOM 294 C PHE A 186 -8.394 -5.873 -40.328 1.00 0.00 C ATOM 295 O PHE A 186 -7.218 -6.108 -40.030 1.00 0.00 O ATOM 296 CB PHE A 186 -8.823 -3.378 -40.386 1.00 0.00 C ATOM 297 CG PHE A 186 -9.044 -3.370 -41.891 1.00 0.00 C ATOM 298 CD1 PHE A 186 -10.350 -3.400 -42.413 1.00 0.00 C ATOM 299 CD2 PHE A 186 -7.948 -3.319 -42.774 1.00 0.00 C ATOM 300 CE1 PHE A 186 -10.564 -3.406 -43.803 1.00 0.00 C ATOM 301 CE2 PHE A 186 -8.161 -3.296 -44.165 1.00 0.00 C ATOM 302 CZ PHE A 186 -9.468 -3.349 -44.680 1.00 0.00 C ATOM 0 H PHE A 186 -7.829 -4.852 -38.065 1.00 0.00 H new ATOM 0 HA PHE A 186 -10.211 -4.921 -39.764 1.00 0.00 H new ATOM 0 HB2 PHE A 186 -9.433 -2.591 -39.943 1.00 0.00 H new ATOM 0 HB3 PHE A 186 -7.782 -3.124 -40.188 1.00 0.00 H new ATOM 0 HD1 PHE A 186 -11.195 -3.419 -41.741 1.00 0.00 H new ATOM 0 HD2 PHE A 186 -6.942 -3.297 -42.383 1.00 0.00 H new ATOM 0 HE1 PHE A 186 -11.569 -3.454 -44.195 1.00 0.00 H new ATOM 0 HE2 PHE A 186 -7.319 -3.238 -44.838 1.00 0.00 H new ATOM 0 HZ PHE A 186 -9.629 -3.346 -45.748 1.00 0.00 H new ATOM 312 N CYS A 187 -9.069 -6.578 -41.237 1.00 0.00 N ATOM 313 CA CYS A 187 -8.535 -7.691 -42.013 1.00 0.00 C ATOM 314 C CYS A 187 -8.388 -7.243 -43.477 1.00 0.00 C ATOM 315 O CYS A 187 -9.357 -7.182 -44.241 1.00 0.00 O ATOM 316 CB CYS A 187 -9.444 -8.919 -41.847 1.00 0.00 C ATOM 317 SG CYS A 187 -8.619 -10.386 -42.539 1.00 0.00 S ATOM 0 H CYS A 187 -10.044 -6.378 -41.460 1.00 0.00 H new ATOM 0 HA CYS A 187 -7.548 -7.984 -41.656 1.00 0.00 H new ATOM 0 HB2 CYS A 187 -9.668 -9.079 -40.792 1.00 0.00 H new ATOM 0 HB3 CYS A 187 -10.395 -8.751 -42.353 1.00 0.00 H new ATOM 322 N SER A 188 -7.163 -6.886 -43.869 1.00 0.00 N ATOM 323 CA SER A 188 -6.839 -6.422 -45.227 1.00 0.00 C ATOM 324 C SER A 188 -6.986 -7.503 -46.307 1.00 0.00 C ATOM 325 O SER A 188 -7.027 -7.180 -47.497 1.00 0.00 O ATOM 326 CB SER A 188 -5.420 -5.841 -45.254 1.00 0.00 C ATOM 327 OG SER A 188 -4.471 -6.803 -44.815 1.00 0.00 O ATOM 0 H SER A 188 -6.355 -6.910 -43.247 1.00 0.00 H new ATOM 0 HA SER A 188 -7.571 -5.652 -45.470 1.00 0.00 H new ATOM 0 HB2 SER A 188 -5.174 -5.517 -46.265 1.00 0.00 H new ATOM 0 HB3 SER A 188 -5.372 -4.959 -44.616 1.00 0.00 H new ATOM 0 HG SER A 188 -3.573 -6.412 -44.842 1.00 0.00 H new ATOM 333 N LEU A 189 -7.098 -8.776 -45.912 1.00 0.00 N ATOM 334 CA LEU A 189 -7.269 -9.919 -46.814 1.00 0.00 C ATOM 335 C LEU A 189 -8.755 -10.225 -47.111 1.00 0.00 C ATOM 336 O LEU A 189 -9.050 -10.879 -48.117 1.00 0.00 O ATOM 337 CB LEU A 189 -6.558 -11.154 -46.224 1.00 0.00 C ATOM 338 CG LEU A 189 -5.091 -10.939 -45.790 1.00 0.00 C ATOM 339 CD1 LEU A 189 -4.505 -12.247 -45.259 1.00 0.00 C ATOM 340 CD2 LEU A 189 -4.184 -10.455 -46.925 1.00 0.00 C ATOM 0 H LEU A 189 -7.071 -9.046 -44.929 1.00 0.00 H new ATOM 0 HA LEU A 189 -6.814 -9.659 -47.770 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -7.126 -11.499 -45.360 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -6.585 -11.954 -46.964 1.00 0.00 H new ATOM 0 HG LEU A 189 -5.121 -10.166 -45.022 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -3.471 -12.086 -44.956 1.00 0.00 H new ATOM 0 HD12 LEU A 189 -5.086 -12.584 -44.401 1.00 0.00 H new ATOM 0 HD13 LEU A 189 -4.539 -13.005 -46.041 1.00 0.00 H new ATOM 0 HD21 LEU A 189 -3.169 -10.325 -46.549 1.00 0.00 H new ATOM 0 HD22 LEU A 189 -4.182 -11.192 -47.728 1.00 0.00 H new ATOM 0 HD23 LEU A 189 -4.554 -9.503 -47.306 1.00 0.00 H new ATOM 352 N CYS A 190 -9.669 -9.736 -46.261 1.00 0.00 N ATOM 353 CA CYS A 190 -11.121 -9.962 -46.320 1.00 0.00 C ATOM 354 C CYS A 190 -11.964 -8.669 -46.405 1.00 0.00 C ATOM 355 O CYS A 190 -13.174 -8.742 -46.641 1.00 0.00 O ATOM 356 CB CYS A 190 -11.527 -10.735 -45.049 1.00 0.00 C ATOM 357 SG CYS A 190 -10.653 -12.320 -44.866 1.00 0.00 S ATOM 0 H CYS A 190 -9.403 -9.143 -45.475 1.00 0.00 H new ATOM 0 HA CYS A 190 -11.323 -10.516 -47.237 1.00 0.00 H new ATOM 0 HB2 CYS A 190 -11.328 -10.115 -44.175 1.00 0.00 H new ATOM 0 HB3 CYS A 190 -12.601 -10.920 -45.071 1.00 0.00 H new ATOM 362 N HIS A 191 -11.349 -7.497 -46.191 1.00 0.00 N ATOM 363 CA HIS A 191 -11.995 -6.177 -46.131 1.00 0.00 C ATOM 364 C HIS A 191 -13.121 -6.145 -45.075 1.00 0.00 C ATOM 365 O HIS A 191 -14.279 -5.832 -45.365 1.00 0.00 O ATOM 366 CB HIS A 191 -12.386 -5.701 -47.543 1.00 0.00 C ATOM 367 CG HIS A 191 -12.545 -4.203 -47.636 1.00 0.00 C ATOM 368 ND1 HIS A 191 -13.648 -3.470 -47.239 1.00 0.00 N ATOM 369 CD2 HIS A 191 -11.614 -3.322 -48.117 1.00 0.00 C ATOM 370 CE1 HIS A 191 -13.394 -2.168 -47.471 1.00 0.00 C ATOM 371 NE2 HIS A 191 -12.162 -2.058 -48.006 1.00 0.00 N ATOM 0 H HIS A 191 -10.341 -7.440 -46.048 1.00 0.00 H new ATOM 0 HA HIS A 191 -11.283 -5.434 -45.773 1.00 0.00 H new ATOM 0 HB2 HIS A 191 -11.626 -6.025 -48.254 1.00 0.00 H new ATOM 0 HB3 HIS A 191 -13.321 -6.179 -47.836 1.00 0.00 H new ATOM 0 HD2 HIS A 191 -10.638 -3.568 -48.508 1.00 0.00 H new ATOM 0 HE1 HIS A 191 -14.066 -1.348 -47.263 1.00 0.00 H new ATOM 0 HE2 HIS A 191 -11.709 -1.187 -48.283 1.00 0.00 H new ATOM 380 N ALA A 192 -12.763 -6.500 -43.837 1.00 0.00 N ATOM 381 CA ALA A 192 -13.653 -6.587 -42.673 1.00 0.00 C ATOM 382 C ALA A 192 -13.064 -5.837 -41.462 1.00 0.00 C ATOM 383 O ALA A 192 -11.848 -5.836 -41.271 1.00 0.00 O ATOM 384 CB ALA A 192 -13.882 -8.074 -42.361 1.00 0.00 C ATOM 0 H ALA A 192 -11.800 -6.746 -43.608 1.00 0.00 H new ATOM 0 HA ALA A 192 -14.606 -6.108 -42.895 1.00 0.00 H new ATOM 0 HB1 ALA A 192 -14.541 -8.167 -41.498 1.00 0.00 H new ATOM 0 HB2 ALA A 192 -14.340 -8.560 -43.222 1.00 0.00 H new ATOM 0 HB3 ALA A 192 -12.927 -8.551 -42.141 1.00 0.00 H new ATOM 390 N THR A 193 -13.918 -5.206 -40.648 1.00 0.00 N ATOM 391 CA THR A 193 -13.540 -4.376 -39.480 1.00 0.00 C ATOM 392 C THR A 193 -14.165 -4.916 -38.189 1.00 0.00 C ATOM 393 O THR A 193 -15.287 -5.430 -38.215 1.00 0.00 O ATOM 394 CB THR A 193 -14.010 -2.921 -39.696 1.00 0.00 C ATOM 395 OG1 THR A 193 -13.596 -2.428 -40.955 1.00 0.00 O ATOM 396 CG2 THR A 193 -13.493 -1.930 -38.650 1.00 0.00 C ATOM 0 H THR A 193 -14.928 -5.256 -40.782 1.00 0.00 H new ATOM 0 HA THR A 193 -12.455 -4.409 -39.384 1.00 0.00 H new ATOM 0 HB THR A 193 -15.095 -2.983 -39.618 1.00 0.00 H new ATOM 0 HG1 THR A 193 -13.909 -1.506 -41.064 1.00 0.00 H new ATOM 0 HG21 THR A 193 -13.870 -0.933 -38.876 1.00 0.00 H new ATOM 0 HG22 THR A 193 -13.837 -2.232 -37.661 1.00 0.00 H new ATOM 0 HG23 THR A 193 -12.403 -1.918 -38.667 1.00 0.00 H new ATOM 404 N PHE A 194 -13.463 -4.788 -37.054 1.00 0.00 N ATOM 405 CA PHE A 194 -13.902 -5.285 -35.742 1.00 0.00 C ATOM 406 C PHE A 194 -13.617 -4.251 -34.640 1.00 0.00 C ATOM 407 O PHE A 194 -12.678 -3.461 -34.752 1.00 0.00 O ATOM 408 CB PHE A 194 -13.205 -6.629 -35.430 1.00 0.00 C ATOM 409 CG PHE A 194 -12.917 -7.493 -36.650 1.00 0.00 C ATOM 410 CD1 PHE A 194 -13.962 -8.164 -37.311 1.00 0.00 C ATOM 411 CD2 PHE A 194 -11.618 -7.526 -37.194 1.00 0.00 C ATOM 412 CE1 PHE A 194 -13.718 -8.823 -38.529 1.00 0.00 C ATOM 413 CE2 PHE A 194 -11.372 -8.191 -38.405 1.00 0.00 C ATOM 414 CZ PHE A 194 -12.426 -8.825 -39.080 1.00 0.00 C ATOM 0 H PHE A 194 -12.554 -4.326 -37.022 1.00 0.00 H new ATOM 0 HA PHE A 194 -14.979 -5.448 -35.772 1.00 0.00 H new ATOM 0 HB2 PHE A 194 -12.266 -6.425 -34.916 1.00 0.00 H new ATOM 0 HB3 PHE A 194 -13.830 -7.195 -34.740 1.00 0.00 H new ATOM 0 HD1 PHE A 194 -14.953 -8.173 -36.882 1.00 0.00 H new ATOM 0 HD2 PHE A 194 -10.807 -7.037 -36.676 1.00 0.00 H new ATOM 0 HE1 PHE A 194 -14.524 -9.328 -39.041 1.00 0.00 H new ATOM 0 HE2 PHE A 194 -10.374 -8.215 -38.816 1.00 0.00 H new ATOM 0 HZ PHE A 194 -12.244 -9.315 -40.025 1.00 0.00 H new ATOM 424 N ASN A 195 -14.422 -4.256 -33.573 1.00 0.00 N ATOM 425 CA ASN A 195 -14.328 -3.312 -32.445 1.00 0.00 C ATOM 426 C ASN A 195 -14.563 -4.004 -31.081 1.00 0.00 C ATOM 427 O ASN A 195 -15.054 -3.392 -30.133 1.00 0.00 O ATOM 428 CB ASN A 195 -15.314 -2.149 -32.696 1.00 0.00 C ATOM 429 CG ASN A 195 -14.978 -1.327 -33.931 1.00 0.00 C ATOM 430 OD1 ASN A 195 -15.485 -1.556 -35.021 1.00 0.00 O ATOM 431 ND2 ASN A 195 -14.127 -0.333 -33.801 1.00 0.00 N ATOM 0 H ASN A 195 -15.178 -4.932 -33.463 1.00 0.00 H new ATOM 0 HA ASN A 195 -13.315 -2.914 -32.390 1.00 0.00 H new ATOM 0 HB2 ASN A 195 -16.321 -2.553 -32.800 1.00 0.00 H new ATOM 0 HB3 ASN A 195 -15.322 -1.495 -31.824 1.00 0.00 H new ATOM 0 HD21 ASN A 195 -13.891 0.245 -34.608 1.00 0.00 H new ATOM 0 HD22 ASN A 195 -13.703 -0.140 -32.894 1.00 0.00 H new ATOM 438 N ASP A 196 -14.235 -5.295 -30.986 1.00 0.00 N ATOM 439 CA ASP A 196 -14.385 -6.154 -29.801 1.00 0.00 C ATOM 440 C ASP A 196 -13.351 -7.304 -29.886 1.00 0.00 C ATOM 441 O ASP A 196 -13.060 -7.764 -30.998 1.00 0.00 O ATOM 442 CB ASP A 196 -15.848 -6.646 -29.767 1.00 0.00 C ATOM 443 CG ASP A 196 -16.128 -7.727 -28.722 1.00 0.00 C ATOM 444 OD1 ASP A 196 -15.778 -8.897 -29.002 1.00 0.00 O ATOM 445 OD2 ASP A 196 -16.672 -7.387 -27.647 1.00 0.00 O ATOM 0 H ASP A 196 -13.835 -5.800 -31.776 1.00 0.00 H new ATOM 0 HA ASP A 196 -14.187 -5.624 -28.870 1.00 0.00 H new ATOM 0 HB2 ASP A 196 -16.500 -5.794 -29.574 1.00 0.00 H new ATOM 0 HB3 ASP A 196 -16.111 -7.033 -30.751 1.00 0.00 H new ATOM 450 N PRO A 197 -12.776 -7.779 -28.759 1.00 0.00 N ATOM 451 CA PRO A 197 -11.720 -8.795 -28.787 1.00 0.00 C ATOM 452 C PRO A 197 -12.161 -10.129 -29.394 1.00 0.00 C ATOM 453 O PRO A 197 -11.460 -10.721 -30.215 1.00 0.00 O ATOM 454 CB PRO A 197 -11.295 -9.012 -27.326 1.00 0.00 C ATOM 455 CG PRO A 197 -12.446 -8.449 -26.497 1.00 0.00 C ATOM 456 CD PRO A 197 -13.026 -7.356 -27.386 1.00 0.00 C ATOM 0 HA PRO A 197 -10.908 -8.441 -29.422 1.00 0.00 H new ATOM 0 HB2 PRO A 197 -11.135 -10.069 -27.114 1.00 0.00 H new ATOM 0 HB3 PRO A 197 -10.360 -8.497 -27.105 1.00 0.00 H new ATOM 0 HG2 PRO A 197 -13.187 -9.215 -26.268 1.00 0.00 H new ATOM 0 HG3 PRO A 197 -12.096 -8.049 -25.545 1.00 0.00 H new ATOM 0 HD2 PRO A 197 -14.094 -7.231 -27.205 1.00 0.00 H new ATOM 0 HD3 PRO A 197 -12.553 -6.395 -27.182 1.00 0.00 H new ATOM 464 N VAL A 198 -13.336 -10.605 -28.982 1.00 0.00 N ATOM 465 CA VAL A 198 -13.910 -11.880 -29.421 1.00 0.00 C ATOM 466 C VAL A 198 -14.394 -11.777 -30.866 1.00 0.00 C ATOM 467 O VAL A 198 -14.171 -12.703 -31.637 1.00 0.00 O ATOM 468 CB VAL A 198 -15.008 -12.330 -28.440 1.00 0.00 C ATOM 469 CG1 VAL A 198 -15.653 -13.658 -28.854 1.00 0.00 C ATOM 470 CG2 VAL A 198 -14.396 -12.516 -27.039 1.00 0.00 C ATOM 0 H VAL A 198 -13.929 -10.105 -28.320 1.00 0.00 H new ATOM 0 HA VAL A 198 -13.143 -12.655 -29.410 1.00 0.00 H new ATOM 0 HB VAL A 198 -15.776 -11.557 -28.443 1.00 0.00 H new ATOM 0 HG11 VAL A 198 -16.420 -13.931 -28.130 1.00 0.00 H new ATOM 0 HG12 VAL A 198 -16.106 -13.551 -29.840 1.00 0.00 H new ATOM 0 HG13 VAL A 198 -14.892 -14.437 -28.887 1.00 0.00 H new ATOM 0 HG21 VAL A 198 -15.172 -12.835 -26.343 1.00 0.00 H new ATOM 0 HG22 VAL A 198 -13.613 -13.273 -27.082 1.00 0.00 H new ATOM 0 HG23 VAL A 198 -13.970 -11.572 -26.700 1.00 0.00 H new ATOM 480 N MET A 199 -14.973 -10.643 -31.277 1.00 0.00 N ATOM 481 CA MET A 199 -15.378 -10.393 -32.671 1.00 0.00 C ATOM 482 C MET A 199 -14.173 -10.511 -33.620 1.00 0.00 C ATOM 483 O MET A 199 -14.251 -11.199 -34.640 1.00 0.00 O ATOM 484 CB MET A 199 -16.008 -8.994 -32.750 1.00 0.00 C ATOM 485 CG MET A 199 -16.572 -8.630 -34.126 1.00 0.00 C ATOM 486 SD MET A 199 -17.082 -6.891 -34.225 1.00 0.00 S ATOM 487 CE MET A 199 -17.767 -6.855 -35.904 1.00 0.00 C ATOM 0 H MET A 199 -15.177 -9.865 -30.649 1.00 0.00 H new ATOM 0 HA MET A 199 -16.107 -11.140 -32.984 1.00 0.00 H new ATOM 0 HB2 MET A 199 -16.809 -8.928 -32.014 1.00 0.00 H new ATOM 0 HB3 MET A 199 -15.257 -8.255 -32.472 1.00 0.00 H new ATOM 0 HG2 MET A 199 -15.819 -8.829 -34.889 1.00 0.00 H new ATOM 0 HG3 MET A 199 -17.426 -9.270 -34.347 1.00 0.00 H new ATOM 0 HE1 MET A 199 -18.128 -5.851 -36.128 1.00 0.00 H new ATOM 0 HE2 MET A 199 -16.992 -7.130 -36.619 1.00 0.00 H new ATOM 0 HE3 MET A 199 -18.593 -7.562 -35.975 1.00 0.00 H new ATOM 497 N ALA A 200 -13.044 -9.890 -33.255 1.00 0.00 N ATOM 498 CA ALA A 200 -11.793 -9.982 -34.005 1.00 0.00 C ATOM 499 C ALA A 200 -11.286 -11.434 -34.057 1.00 0.00 C ATOM 500 O ALA A 200 -11.044 -11.980 -35.136 1.00 0.00 O ATOM 501 CB ALA A 200 -10.755 -9.073 -33.333 1.00 0.00 C ATOM 0 H ALA A 200 -12.977 -9.305 -32.422 1.00 0.00 H new ATOM 0 HA ALA A 200 -11.961 -9.659 -35.032 1.00 0.00 H new ATOM 0 HB1 ALA A 200 -9.814 -9.129 -33.880 1.00 0.00 H new ATOM 0 HB2 ALA A 200 -11.116 -8.044 -33.336 1.00 0.00 H new ATOM 0 HB3 ALA A 200 -10.597 -9.399 -32.305 1.00 0.00 H new ATOM 507 N GLN A 201 -11.151 -12.072 -32.888 1.00 0.00 N ATOM 508 CA GLN A 201 -10.658 -13.444 -32.769 1.00 0.00 C ATOM 509 C GLN A 201 -11.509 -14.458 -33.559 1.00 0.00 C ATOM 510 O GLN A 201 -10.956 -15.332 -34.227 1.00 0.00 O ATOM 511 CB GLN A 201 -10.568 -13.815 -31.279 1.00 0.00 C ATOM 512 CG GLN A 201 -9.891 -15.173 -31.043 1.00 0.00 C ATOM 513 CD GLN A 201 -9.732 -15.468 -29.552 1.00 0.00 C ATOM 514 OE1 GLN A 201 -8.800 -15.020 -28.895 1.00 0.00 O ATOM 515 NE2 GLN A 201 -10.627 -16.228 -28.954 1.00 0.00 N ATOM 0 H GLN A 201 -11.384 -11.644 -31.992 1.00 0.00 H new ATOM 0 HA GLN A 201 -9.665 -13.491 -33.217 1.00 0.00 H new ATOM 0 HB2 GLN A 201 -10.013 -13.041 -30.750 1.00 0.00 H new ATOM 0 HB3 GLN A 201 -11.571 -13.836 -30.853 1.00 0.00 H new ATOM 0 HG2 GLN A 201 -10.482 -15.961 -31.510 1.00 0.00 H new ATOM 0 HG3 GLN A 201 -8.912 -15.181 -31.523 1.00 0.00 H new ATOM 0 HE21 GLN A 201 -11.409 -16.609 -29.486 1.00 0.00 H new ATOM 0 HE22 GLN A 201 -10.537 -16.435 -27.959 1.00 0.00 H new ATOM 524 N GLN A 202 -12.841 -14.329 -33.516 1.00 0.00 N ATOM 525 CA GLN A 202 -13.784 -15.187 -34.240 1.00 0.00 C ATOM 526 C GLN A 202 -13.589 -15.073 -35.756 1.00 0.00 C ATOM 527 O GLN A 202 -13.573 -16.096 -36.445 1.00 0.00 O ATOM 528 CB GLN A 202 -15.234 -14.843 -33.846 1.00 0.00 C ATOM 529 CG GLN A 202 -15.637 -15.413 -32.474 1.00 0.00 C ATOM 530 CD GLN A 202 -15.792 -16.933 -32.486 1.00 0.00 C ATOM 531 OE1 GLN A 202 -14.883 -17.684 -32.155 1.00 0.00 O ATOM 532 NE2 GLN A 202 -16.942 -17.451 -32.867 1.00 0.00 N ATOM 0 H GLN A 202 -13.303 -13.607 -32.963 1.00 0.00 H new ATOM 0 HA GLN A 202 -13.585 -16.221 -33.959 1.00 0.00 H new ATOM 0 HB2 GLN A 202 -15.353 -13.760 -33.832 1.00 0.00 H new ATOM 0 HB3 GLN A 202 -15.912 -15.229 -34.607 1.00 0.00 H new ATOM 0 HG2 GLN A 202 -14.885 -15.135 -31.735 1.00 0.00 H new ATOM 0 HG3 GLN A 202 -16.577 -14.959 -32.159 1.00 0.00 H new ATOM 0 HE21 GLN A 202 -17.709 -16.840 -33.146 1.00 0.00 H new ATOM 0 HE22 GLN A 202 -17.065 -18.463 -32.883 1.00 0.00 H new ATOM 541 N HIS A 203 -13.377 -13.861 -36.283 1.00 0.00 N ATOM 542 CA HIS A 203 -13.091 -13.688 -37.709 1.00 0.00 C ATOM 543 C HIS A 203 -11.773 -14.389 -38.078 1.00 0.00 C ATOM 544 O HIS A 203 -11.752 -15.215 -38.988 1.00 0.00 O ATOM 545 CB HIS A 203 -13.048 -12.203 -38.098 1.00 0.00 C ATOM 546 CG HIS A 203 -12.764 -12.028 -39.573 1.00 0.00 C ATOM 547 ND1 HIS A 203 -13.696 -12.003 -40.589 1.00 0.00 N ATOM 548 CD2 HIS A 203 -11.527 -11.996 -40.166 1.00 0.00 C ATOM 549 CE1 HIS A 203 -13.034 -11.986 -41.761 1.00 0.00 C ATOM 550 NE2 HIS A 203 -11.707 -11.996 -41.553 1.00 0.00 N ATOM 0 H HIS A 203 -13.398 -12.993 -35.747 1.00 0.00 H new ATOM 0 HA HIS A 203 -13.901 -14.150 -38.273 1.00 0.00 H new ATOM 0 HB2 HIS A 203 -14.000 -11.733 -37.851 1.00 0.00 H new ATOM 0 HB3 HIS A 203 -12.280 -11.694 -37.515 1.00 0.00 H new ATOM 0 HD1 HIS A 203 -14.709 -11.998 -40.473 1.00 0.00 H new ATOM 0 HD2 HIS A 203 -10.578 -11.975 -39.651 1.00 0.00 H new ATOM 0 HE1 HIS A 203 -13.504 -11.967 -42.733 1.00 0.00 H new ATOM 558 N TYR A 204 -10.687 -14.105 -37.349 1.00 0.00 N ATOM 559 CA TYR A 204 -9.352 -14.675 -37.583 1.00 0.00 C ATOM 560 C TYR A 204 -9.224 -16.211 -37.425 1.00 0.00 C ATOM 561 O TYR A 204 -8.139 -16.748 -37.661 1.00 0.00 O ATOM 562 CB TYR A 204 -8.323 -13.939 -36.702 1.00 0.00 C ATOM 563 CG TYR A 204 -8.194 -12.437 -36.931 1.00 0.00 C ATOM 564 CD1 TYR A 204 -8.181 -11.904 -38.237 1.00 0.00 C ATOM 565 CD2 TYR A 204 -8.041 -11.569 -35.829 1.00 0.00 C ATOM 566 CE1 TYR A 204 -8.053 -10.518 -38.442 1.00 0.00 C ATOM 567 CE2 TYR A 204 -7.902 -10.181 -36.030 1.00 0.00 C ATOM 568 CZ TYR A 204 -7.909 -9.649 -37.338 1.00 0.00 C ATOM 569 OH TYR A 204 -7.753 -8.309 -37.525 1.00 0.00 O ATOM 0 H TYR A 204 -10.711 -13.457 -36.561 1.00 0.00 H new ATOM 0 HA TYR A 204 -9.151 -14.514 -38.642 1.00 0.00 H new ATOM 0 HB2 TYR A 204 -8.585 -14.105 -35.657 1.00 0.00 H new ATOM 0 HB3 TYR A 204 -7.346 -14.395 -36.862 1.00 0.00 H new ATOM 0 HD1 TYR A 204 -8.270 -12.565 -39.086 1.00 0.00 H new ATOM 0 HD2 TYR A 204 -8.030 -11.970 -34.826 1.00 0.00 H new ATOM 0 HE1 TYR A 204 -8.065 -10.118 -39.445 1.00 0.00 H new ATOM 0 HE2 TYR A 204 -7.790 -9.522 -35.181 1.00 0.00 H new ATOM 0 HH TYR A 204 -8.608 -7.915 -37.795 1.00 0.00 H new ATOM 579 N VAL A 205 -10.293 -16.933 -37.056 1.00 0.00 N ATOM 580 CA VAL A 205 -10.292 -18.404 -36.900 1.00 0.00 C ATOM 581 C VAL A 205 -11.418 -19.118 -37.670 1.00 0.00 C ATOM 582 O VAL A 205 -11.271 -20.297 -38.004 1.00 0.00 O ATOM 583 CB VAL A 205 -10.270 -18.779 -35.400 1.00 0.00 C ATOM 584 CG1 VAL A 205 -11.636 -18.648 -34.717 1.00 0.00 C ATOM 585 CG2 VAL A 205 -9.737 -20.195 -35.155 1.00 0.00 C ATOM 0 H VAL A 205 -11.198 -16.509 -36.853 1.00 0.00 H new ATOM 0 HA VAL A 205 -9.377 -18.771 -37.365 1.00 0.00 H new ATOM 0 HB VAL A 205 -9.590 -18.052 -34.955 1.00 0.00 H new ATOM 0 HG11 VAL A 205 -11.546 -18.927 -33.667 1.00 0.00 H new ATOM 0 HG12 VAL A 205 -11.982 -17.617 -34.790 1.00 0.00 H new ATOM 0 HG13 VAL A 205 -12.353 -19.307 -35.207 1.00 0.00 H new ATOM 0 HG21 VAL A 205 -9.743 -20.406 -34.086 1.00 0.00 H new ATOM 0 HG22 VAL A 205 -10.370 -20.917 -35.671 1.00 0.00 H new ATOM 0 HG23 VAL A 205 -8.718 -20.271 -35.534 1.00 0.00 H new ATOM 595 N GLY A 206 -12.524 -18.432 -37.982 1.00 0.00 N ATOM 596 CA GLY A 206 -13.675 -18.997 -38.701 1.00 0.00 C ATOM 597 C GLY A 206 -13.423 -19.327 -40.180 1.00 0.00 C ATOM 598 O GLY A 206 -12.529 -18.770 -40.825 1.00 0.00 O ATOM 0 H GLY A 206 -12.648 -17.449 -37.738 1.00 0.00 H new ATOM 0 HA2 GLY A 206 -13.991 -19.907 -38.191 1.00 0.00 H new ATOM 0 HA3 GLY A 206 -14.504 -18.292 -38.638 1.00 0.00 H new ATOM 602 N LYS A 207 -14.242 -20.234 -40.734 1.00 0.00 N ATOM 603 CA LYS A 207 -14.166 -20.721 -42.131 1.00 0.00 C ATOM 604 C LYS A 207 -14.191 -19.612 -43.193 1.00 0.00 C ATOM 605 O LYS A 207 -13.533 -19.739 -44.227 1.00 0.00 O ATOM 606 CB LYS A 207 -15.272 -21.773 -42.383 1.00 0.00 C ATOM 607 CG LYS A 207 -14.728 -23.129 -42.867 1.00 0.00 C ATOM 608 CD LYS A 207 -14.053 -23.069 -44.246 1.00 0.00 C ATOM 609 CE LYS A 207 -13.607 -24.466 -44.684 1.00 0.00 C ATOM 610 NZ LYS A 207 -12.958 -24.426 -46.012 1.00 0.00 N ATOM 0 H LYS A 207 -15.002 -20.666 -40.209 1.00 0.00 H new ATOM 0 HA LYS A 207 -13.186 -21.185 -42.242 1.00 0.00 H new ATOM 0 HB2 LYS A 207 -15.836 -21.924 -41.462 1.00 0.00 H new ATOM 0 HB3 LYS A 207 -15.970 -21.385 -43.124 1.00 0.00 H new ATOM 0 HG2 LYS A 207 -14.010 -23.503 -42.137 1.00 0.00 H new ATOM 0 HG3 LYS A 207 -15.548 -23.846 -42.905 1.00 0.00 H new ATOM 0 HD2 LYS A 207 -14.745 -22.655 -44.979 1.00 0.00 H new ATOM 0 HD3 LYS A 207 -13.192 -22.401 -44.208 1.00 0.00 H new ATOM 0 HE2 LYS A 207 -12.914 -24.877 -43.950 1.00 0.00 H new ATOM 0 HE3 LYS A 207 -14.469 -25.133 -44.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 -12.666 -25.386 -46.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 -13.629 -24.056 -46.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 -12.123 -23.808 -45.972 1.00 0.00 H new ATOM 624 N LYS A 208 -14.915 -18.514 -42.939 1.00 0.00 N ATOM 625 CA LYS A 208 -15.015 -17.356 -43.848 1.00 0.00 C ATOM 626 C LYS A 208 -13.651 -16.727 -44.153 1.00 0.00 C ATOM 627 O LYS A 208 -13.359 -16.465 -45.319 1.00 0.00 O ATOM 628 CB LYS A 208 -16.013 -16.334 -43.275 1.00 0.00 C ATOM 629 CG LYS A 208 -16.365 -15.247 -44.304 1.00 0.00 C ATOM 630 CD LYS A 208 -17.452 -14.303 -43.767 1.00 0.00 C ATOM 631 CE LYS A 208 -17.818 -13.211 -44.780 1.00 0.00 C ATOM 632 NZ LYS A 208 -18.494 -13.767 -45.974 1.00 0.00 N ATOM 0 H LYS A 208 -15.458 -18.400 -42.083 1.00 0.00 H new ATOM 0 HA LYS A 208 -15.391 -17.708 -44.808 1.00 0.00 H new ATOM 0 HB2 LYS A 208 -16.922 -16.848 -42.963 1.00 0.00 H new ATOM 0 HB3 LYS A 208 -15.588 -15.869 -42.385 1.00 0.00 H new ATOM 0 HG2 LYS A 208 -15.472 -14.674 -44.551 1.00 0.00 H new ATOM 0 HG3 LYS A 208 -16.709 -15.714 -45.227 1.00 0.00 H new ATOM 0 HD2 LYS A 208 -18.343 -14.880 -43.519 1.00 0.00 H new ATOM 0 HD3 LYS A 208 -17.105 -13.839 -42.844 1.00 0.00 H new ATOM 0 HE2 LYS A 208 -18.469 -12.478 -44.303 1.00 0.00 H new ATOM 0 HE3 LYS A 208 -16.915 -12.684 -45.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 208 -18.800 -12.990 -46.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 208 -17.834 -14.383 -46.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 208 -19.323 -14.320 -45.677 1.00 0.00 H new ATOM 646 N HIS A 209 -12.795 -16.557 -43.139 1.00 0.00 N ATOM 647 CA HIS A 209 -11.441 -16.018 -43.313 1.00 0.00 C ATOM 648 C HIS A 209 -10.579 -16.973 -44.136 1.00 0.00 C ATOM 649 O HIS A 209 -9.830 -16.538 -45.005 1.00 0.00 O ATOM 650 CB HIS A 209 -10.817 -15.747 -41.939 1.00 0.00 C ATOM 651 CG HIS A 209 -9.393 -15.232 -41.982 1.00 0.00 C ATOM 652 ND1 HIS A 209 -9.010 -13.915 -42.262 1.00 0.00 N ATOM 653 CD2 HIS A 209 -8.269 -15.979 -41.761 1.00 0.00 C ATOM 654 CE1 HIS A 209 -7.668 -13.906 -42.226 1.00 0.00 C ATOM 655 NE2 HIS A 209 -7.195 -15.129 -41.926 1.00 0.00 N ATOM 0 H HIS A 209 -13.022 -16.790 -42.172 1.00 0.00 H new ATOM 0 HA HIS A 209 -11.497 -15.078 -43.861 1.00 0.00 H new ATOM 0 HB2 HIS A 209 -11.436 -15.022 -41.411 1.00 0.00 H new ATOM 0 HB3 HIS A 209 -10.839 -16.668 -41.357 1.00 0.00 H new ATOM 0 HD2 HIS A 209 -8.230 -17.028 -41.507 1.00 0.00 H new ATOM 0 HE1 HIS A 209 -7.054 -13.038 -42.412 1.00 0.00 H new ATOM 0 HE2 HIS A 209 -6.212 -15.384 -41.836 1.00 0.00 H new ATOM 663 N ARG A 210 -10.713 -18.290 -43.915 1.00 0.00 N ATOM 664 CA ARG A 210 -9.952 -19.311 -44.656 1.00 0.00 C ATOM 665 C ARG A 210 -10.277 -19.264 -46.153 1.00 0.00 C ATOM 666 O ARG A 210 -9.365 -19.229 -46.982 1.00 0.00 O ATOM 667 CB ARG A 210 -10.179 -20.723 -44.079 1.00 0.00 C ATOM 668 CG ARG A 210 -10.200 -20.854 -42.543 1.00 0.00 C ATOM 669 CD ARG A 210 -9.128 -20.053 -41.796 1.00 0.00 C ATOM 670 NE ARG A 210 -9.115 -20.411 -40.367 1.00 0.00 N ATOM 671 CZ ARG A 210 -8.057 -20.528 -39.584 1.00 0.00 C ATOM 672 NH1 ARG A 210 -6.839 -20.259 -39.978 1.00 0.00 N ATOM 673 NH2 ARG A 210 -8.213 -20.933 -38.355 1.00 0.00 N ATOM 0 H ARG A 210 -11.350 -18.678 -43.219 1.00 0.00 H new ATOM 0 HA ARG A 210 -8.894 -19.079 -44.536 1.00 0.00 H new ATOM 0 HB2 ARG A 210 -11.127 -21.099 -44.464 1.00 0.00 H new ATOM 0 HB3 ARG A 210 -9.397 -21.377 -44.465 1.00 0.00 H new ATOM 0 HG2 ARG A 210 -11.180 -20.540 -42.183 1.00 0.00 H new ATOM 0 HG3 ARG A 210 -10.088 -21.907 -42.284 1.00 0.00 H new ATOM 0 HD2 ARG A 210 -8.149 -20.248 -42.234 1.00 0.00 H new ATOM 0 HD3 ARG A 210 -9.320 -18.986 -41.907 1.00 0.00 H new ATOM 0 HE ARG A 210 -10.022 -20.588 -39.935 1.00 0.00 H new ATOM 0 HH11 ARG A 210 -6.670 -19.941 -40.932 1.00 0.00 H new ATOM 0 HH12 ARG A 210 -6.058 -20.367 -39.331 1.00 0.00 H new ATOM 0 HH21 ARG A 210 -9.145 -21.156 -38.006 1.00 0.00 H new ATOM 0 HH22 ARG A 210 -7.403 -21.027 -37.742 1.00 0.00 H new ATOM 687 N LYS A 211 -11.569 -19.215 -46.503 1.00 0.00 N ATOM 688 CA LYS A 211 -12.041 -19.123 -47.898 1.00 0.00 C ATOM 689 C LYS A 211 -11.636 -17.804 -48.568 1.00 0.00 C ATOM 690 O LYS A 211 -11.112 -17.830 -49.680 1.00 0.00 O ATOM 691 CB LYS A 211 -13.565 -19.333 -47.964 1.00 0.00 C ATOM 692 CG LYS A 211 -13.944 -20.803 -47.703 1.00 0.00 C ATOM 693 CD LYS A 211 -15.418 -21.135 -48.004 1.00 0.00 C ATOM 694 CE LYS A 211 -16.401 -20.858 -46.857 1.00 0.00 C ATOM 695 NZ LYS A 211 -16.533 -19.420 -46.551 1.00 0.00 N ATOM 0 H LYS A 211 -12.327 -19.238 -45.821 1.00 0.00 H new ATOM 0 HA LYS A 211 -11.552 -19.919 -48.459 1.00 0.00 H new ATOM 0 HB2 LYS A 211 -14.054 -18.694 -47.228 1.00 0.00 H new ATOM 0 HB3 LYS A 211 -13.933 -19.030 -48.944 1.00 0.00 H new ATOM 0 HG2 LYS A 211 -13.307 -21.445 -48.311 1.00 0.00 H new ATOM 0 HG3 LYS A 211 -13.735 -21.041 -46.660 1.00 0.00 H new ATOM 0 HD2 LYS A 211 -15.732 -20.561 -48.876 1.00 0.00 H new ATOM 0 HD3 LYS A 211 -15.488 -22.189 -48.274 1.00 0.00 H new ATOM 0 HE2 LYS A 211 -17.380 -21.260 -47.118 1.00 0.00 H new ATOM 0 HE3 LYS A 211 -16.068 -21.386 -45.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 211 -17.336 -19.275 -45.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 211 -15.660 -19.080 -46.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 211 -16.696 -18.891 -47.432 1.00 0.00 H new ATOM 709 N GLN A 212 -11.832 -16.663 -47.905 1.00 0.00 N ATOM 710 CA GLN A 212 -11.454 -15.347 -48.444 1.00 0.00 C ATOM 711 C GLN A 212 -9.932 -15.193 -48.603 1.00 0.00 C ATOM 712 O GLN A 212 -9.470 -14.718 -49.643 1.00 0.00 O ATOM 713 CB GLN A 212 -12.019 -14.240 -47.543 1.00 0.00 C ATOM 714 CG GLN A 212 -13.543 -14.067 -47.642 1.00 0.00 C ATOM 715 CD GLN A 212 -13.967 -13.411 -48.953 1.00 0.00 C ATOM 716 OE1 GLN A 212 -14.238 -14.066 -49.952 1.00 0.00 O ATOM 717 NE2 GLN A 212 -14.040 -12.097 -49.010 1.00 0.00 N ATOM 0 H GLN A 212 -12.257 -16.621 -46.979 1.00 0.00 H new ATOM 0 HA GLN A 212 -11.882 -15.261 -49.443 1.00 0.00 H new ATOM 0 HB2 GLN A 212 -11.755 -14.459 -46.508 1.00 0.00 H new ATOM 0 HB3 GLN A 212 -11.539 -13.296 -47.801 1.00 0.00 H new ATOM 0 HG2 GLN A 212 -14.024 -15.041 -47.554 1.00 0.00 H new ATOM 0 HG3 GLN A 212 -13.893 -13.462 -46.806 1.00 0.00 H new ATOM 0 HE21 GLN A 212 -13.817 -11.538 -48.187 1.00 0.00 H new ATOM 0 HE22 GLN A 212 -14.319 -11.639 -49.878 1.00 0.00 H new ATOM 726 N GLU A 213 -9.138 -15.646 -47.627 1.00 0.00 N ATOM 727 CA GLU A 213 -7.673 -15.647 -47.711 1.00 0.00 C ATOM 728 C GLU A 213 -7.217 -16.509 -48.898 1.00 0.00 C ATOM 729 O GLU A 213 -6.366 -16.082 -49.676 1.00 0.00 O ATOM 730 CB GLU A 213 -7.080 -16.145 -46.382 1.00 0.00 C ATOM 731 CG GLU A 213 -5.548 -16.141 -46.354 1.00 0.00 C ATOM 732 CD GLU A 213 -5.036 -16.568 -44.972 1.00 0.00 C ATOM 733 OE1 GLU A 213 -4.840 -17.791 -44.771 1.00 0.00 O ATOM 734 OE2 GLU A 213 -4.840 -15.679 -44.108 1.00 0.00 O ATOM 0 H GLU A 213 -9.496 -16.025 -46.750 1.00 0.00 H new ATOM 0 HA GLU A 213 -7.311 -14.633 -47.881 1.00 0.00 H new ATOM 0 HB2 GLU A 213 -7.451 -15.519 -45.571 1.00 0.00 H new ATOM 0 HB3 GLU A 213 -7.436 -17.158 -46.192 1.00 0.00 H new ATOM 0 HG2 GLU A 213 -5.162 -16.818 -47.116 1.00 0.00 H new ATOM 0 HG3 GLU A 213 -5.176 -15.145 -46.595 1.00 0.00 H new ATOM 741 N THR A 214 -7.824 -17.690 -49.086 1.00 0.00 N ATOM 742 CA THR A 214 -7.545 -18.574 -50.231 1.00 0.00 C ATOM 743 C THR A 214 -7.901 -17.889 -51.555 1.00 0.00 C ATOM 744 O THR A 214 -7.097 -17.921 -52.487 1.00 0.00 O ATOM 745 CB THR A 214 -8.288 -19.917 -50.106 1.00 0.00 C ATOM 746 OG1 THR A 214 -7.898 -20.580 -48.921 1.00 0.00 O ATOM 747 CG2 THR A 214 -7.976 -20.881 -51.253 1.00 0.00 C ATOM 0 H THR A 214 -8.526 -18.062 -48.446 1.00 0.00 H new ATOM 0 HA THR A 214 -6.475 -18.781 -50.225 1.00 0.00 H new ATOM 0 HB THR A 214 -9.349 -19.667 -50.115 1.00 0.00 H new ATOM 0 HG1 THR A 214 -8.372 -20.190 -48.157 1.00 0.00 H new ATOM 0 HG21 THR A 214 -8.529 -21.809 -51.109 1.00 0.00 H new ATOM 0 HG22 THR A 214 -8.269 -20.427 -52.200 1.00 0.00 H new ATOM 0 HG23 THR A 214 -6.907 -21.094 -51.269 1.00 0.00 H new ATOM 755 N LYS A 215 -9.065 -17.224 -51.653 1.00 0.00 N ATOM 756 CA LYS A 215 -9.492 -16.493 -52.861 1.00 0.00 C ATOM 757 C LYS A 215 -8.475 -15.415 -53.254 1.00 0.00 C ATOM 758 O LYS A 215 -8.056 -15.357 -54.412 1.00 0.00 O ATOM 759 CB LYS A 215 -10.900 -15.910 -52.627 1.00 0.00 C ATOM 760 CG LYS A 215 -11.490 -15.137 -53.822 1.00 0.00 C ATOM 761 CD LYS A 215 -11.663 -15.953 -55.113 1.00 0.00 C ATOM 762 CE LYS A 215 -12.611 -17.142 -54.918 1.00 0.00 C ATOM 763 NZ LYS A 215 -12.826 -17.866 -56.188 1.00 0.00 N ATOM 0 H LYS A 215 -9.742 -17.178 -50.891 1.00 0.00 H new ATOM 0 HA LYS A 215 -9.539 -17.183 -53.703 1.00 0.00 H new ATOM 0 HB2 LYS A 215 -11.577 -16.725 -52.371 1.00 0.00 H new ATOM 0 HB3 LYS A 215 -10.863 -15.244 -51.765 1.00 0.00 H new ATOM 0 HG2 LYS A 215 -12.462 -14.738 -53.531 1.00 0.00 H new ATOM 0 HG3 LYS A 215 -10.846 -14.284 -54.035 1.00 0.00 H new ATOM 0 HD2 LYS A 215 -12.049 -15.307 -55.901 1.00 0.00 H new ATOM 0 HD3 LYS A 215 -10.690 -16.316 -55.446 1.00 0.00 H new ATOM 0 HE2 LYS A 215 -12.197 -17.822 -54.174 1.00 0.00 H new ATOM 0 HE3 LYS A 215 -13.567 -16.789 -54.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 215 -13.471 -18.666 -56.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 215 -13.243 -17.221 -56.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 215 -11.916 -18.222 -56.543 1.00 0.00 H new ATOM 777 N LEU A 216 -8.042 -14.593 -52.293 1.00 0.00 N ATOM 778 CA LEU A 216 -7.036 -13.552 -52.526 1.00 0.00 C ATOM 779 C LEU A 216 -5.658 -14.150 -52.859 1.00 0.00 C ATOM 780 O LEU A 216 -4.993 -13.661 -53.772 1.00 0.00 O ATOM 781 CB LEU A 216 -6.984 -12.610 -51.311 1.00 0.00 C ATOM 782 CG LEU A 216 -6.006 -11.428 -51.476 1.00 0.00 C ATOM 783 CD1 LEU A 216 -6.322 -10.542 -52.685 1.00 0.00 C ATOM 784 CD2 LEU A 216 -6.061 -10.552 -50.229 1.00 0.00 C ATOM 0 H LEU A 216 -8.379 -14.631 -51.331 1.00 0.00 H new ATOM 0 HA LEU A 216 -7.327 -12.971 -53.401 1.00 0.00 H new ATOM 0 HB2 LEU A 216 -7.984 -12.218 -51.125 1.00 0.00 H new ATOM 0 HB3 LEU A 216 -6.698 -13.185 -50.430 1.00 0.00 H new ATOM 0 HG LEU A 216 -5.019 -11.864 -51.629 1.00 0.00 H new ATOM 0 HD11 LEU A 216 -5.596 -9.731 -52.741 1.00 0.00 H new ATOM 0 HD12 LEU A 216 -6.272 -11.138 -53.596 1.00 0.00 H new ATOM 0 HD13 LEU A 216 -7.324 -10.126 -52.579 1.00 0.00 H new ATOM 0 HD21 LEU A 216 -5.371 -9.715 -50.341 1.00 0.00 H new ATOM 0 HD22 LEU A 216 -7.074 -10.172 -50.096 1.00 0.00 H new ATOM 0 HD23 LEU A 216 -5.777 -11.142 -49.357 1.00 0.00 H new ATOM 796 N LYS A 217 -5.238 -15.222 -52.171 1.00 0.00 N ATOM 797 CA LYS A 217 -3.971 -15.930 -52.434 1.00 0.00 C ATOM 798 C LYS A 217 -3.924 -16.435 -53.876 1.00 0.00 C ATOM 799 O LYS A 217 -2.933 -16.202 -54.565 1.00 0.00 O ATOM 800 CB LYS A 217 -3.783 -17.049 -51.390 1.00 0.00 C ATOM 801 CG LYS A 217 -2.439 -17.797 -51.460 1.00 0.00 C ATOM 802 CD LYS A 217 -2.431 -18.994 -52.429 1.00 0.00 C ATOM 803 CE LYS A 217 -1.099 -19.754 -52.394 1.00 0.00 C ATOM 804 NZ LYS A 217 -0.899 -20.461 -51.110 1.00 0.00 N ATOM 0 H LYS A 217 -5.775 -15.629 -51.405 1.00 0.00 H new ATOM 0 HA LYS A 217 -3.130 -15.244 -52.329 1.00 0.00 H new ATOM 0 HB2 LYS A 217 -3.887 -16.616 -50.395 1.00 0.00 H new ATOM 0 HB3 LYS A 217 -4.589 -17.773 -51.509 1.00 0.00 H new ATOM 0 HG2 LYS A 217 -1.661 -17.095 -51.761 1.00 0.00 H new ATOM 0 HG3 LYS A 217 -2.181 -18.151 -50.462 1.00 0.00 H new ATOM 0 HD2 LYS A 217 -3.243 -19.674 -52.172 1.00 0.00 H new ATOM 0 HD3 LYS A 217 -2.620 -18.641 -53.443 1.00 0.00 H new ATOM 0 HE2 LYS A 217 -1.070 -20.473 -53.212 1.00 0.00 H new ATOM 0 HE3 LYS A 217 -0.278 -19.055 -52.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 217 -0.078 -21.094 -51.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 217 -0.731 -19.767 -50.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 217 -1.747 -21.020 -50.885 1.00 0.00 H new ATOM 818 N LEU A 218 -4.998 -17.072 -54.352 1.00 0.00 N ATOM 819 CA LEU A 218 -5.119 -17.538 -55.739 1.00 0.00 C ATOM 820 C LEU A 218 -5.025 -16.361 -56.720 1.00 0.00 C ATOM 821 O LEU A 218 -4.221 -16.412 -57.648 1.00 0.00 O ATOM 822 CB LEU A 218 -6.434 -18.326 -55.916 1.00 0.00 C ATOM 823 CG LEU A 218 -6.260 -19.854 -55.848 1.00 0.00 C ATOM 824 CD1 LEU A 218 -5.624 -20.351 -54.548 1.00 0.00 C ATOM 825 CD2 LEU A 218 -7.624 -20.529 -55.997 1.00 0.00 C ATOM 0 H LEU A 218 -5.817 -17.281 -53.781 1.00 0.00 H new ATOM 0 HA LEU A 218 -4.290 -18.209 -55.963 1.00 0.00 H new ATOM 0 HB2 LEU A 218 -7.139 -18.016 -55.144 1.00 0.00 H new ATOM 0 HB3 LEU A 218 -6.877 -18.063 -56.877 1.00 0.00 H new ATOM 0 HG LEU A 218 -5.583 -20.114 -56.661 1.00 0.00 H new ATOM 0 HD11 LEU A 218 -5.536 -21.437 -54.578 1.00 0.00 H new ATOM 0 HD12 LEU A 218 -4.634 -19.910 -54.435 1.00 0.00 H new ATOM 0 HD13 LEU A 218 -6.249 -20.061 -53.703 1.00 0.00 H new ATOM 0 HD21 LEU A 218 -7.502 -21.611 -55.949 1.00 0.00 H new ATOM 0 HD22 LEU A 218 -8.282 -20.202 -55.192 1.00 0.00 H new ATOM 0 HD23 LEU A 218 -8.062 -20.256 -56.957 1.00 0.00 H new ATOM 837 N MET A 219 -5.787 -15.281 -56.499 1.00 0.00 N ATOM 838 CA MET A 219 -5.735 -14.077 -57.342 1.00 0.00 C ATOM 839 C MET A 219 -4.306 -13.511 -57.428 1.00 0.00 C ATOM 840 O MET A 219 -3.803 -13.263 -58.525 1.00 0.00 O ATOM 841 CB MET A 219 -6.751 -13.041 -56.827 1.00 0.00 C ATOM 842 CG MET A 219 -6.881 -11.816 -57.744 1.00 0.00 C ATOM 843 SD MET A 219 -5.580 -10.556 -57.575 1.00 0.00 S ATOM 844 CE MET A 219 -5.909 -9.590 -59.074 1.00 0.00 C ATOM 0 H MET A 219 -6.456 -15.217 -55.732 1.00 0.00 H new ATOM 0 HA MET A 219 -6.014 -14.343 -58.362 1.00 0.00 H new ATOM 0 HB2 MET A 219 -7.726 -13.517 -56.726 1.00 0.00 H new ATOM 0 HB3 MET A 219 -6.452 -12.712 -55.832 1.00 0.00 H new ATOM 0 HG2 MET A 219 -6.894 -12.160 -58.778 1.00 0.00 H new ATOM 0 HG3 MET A 219 -7.845 -11.344 -57.553 1.00 0.00 H new ATOM 0 HE1 MET A 219 -5.611 -8.554 -58.912 1.00 0.00 H new ATOM 0 HE2 MET A 219 -5.341 -10.005 -59.906 1.00 0.00 H new ATOM 0 HE3 MET A 219 -6.973 -9.629 -59.306 1.00 0.00 H new ATOM 854 N ALA A 220 -3.624 -13.362 -56.287 1.00 0.00 N ATOM 855 CA ALA A 220 -2.245 -12.884 -56.225 1.00 0.00 C ATOM 856 C ALA A 220 -1.268 -13.818 -56.969 1.00 0.00 C ATOM 857 O ALA A 220 -0.420 -13.351 -57.735 1.00 0.00 O ATOM 858 CB ALA A 220 -1.858 -12.705 -54.751 1.00 0.00 C ATOM 0 H ALA A 220 -4.022 -13.573 -55.372 1.00 0.00 H new ATOM 0 HA ALA A 220 -2.176 -11.925 -56.738 1.00 0.00 H new ATOM 0 HB1 ALA A 220 -0.830 -12.348 -54.685 1.00 0.00 H new ATOM 0 HB2 ALA A 220 -2.525 -11.979 -54.285 1.00 0.00 H new ATOM 0 HB3 ALA A 220 -1.944 -13.661 -54.234 1.00 0.00 H new ATOM 864 N ARG A 221 -1.406 -15.138 -56.784 1.00 0.00 N ATOM 865 CA ARG A 221 -0.594 -16.172 -57.450 1.00 0.00 C ATOM 866 C ARG A 221 -0.763 -16.140 -58.975 1.00 0.00 C ATOM 867 O ARG A 221 0.223 -16.290 -59.697 1.00 0.00 O ATOM 868 CB ARG A 221 -0.940 -17.536 -56.820 1.00 0.00 C ATOM 869 CG ARG A 221 -0.051 -18.710 -57.267 1.00 0.00 C ATOM 870 CD ARG A 221 -0.552 -19.470 -58.507 1.00 0.00 C ATOM 871 NE ARG A 221 -1.869 -20.108 -58.302 1.00 0.00 N ATOM 872 CZ ARG A 221 -2.118 -21.227 -57.639 1.00 0.00 C ATOM 873 NH1 ARG A 221 -1.196 -21.893 -56.993 1.00 0.00 N ATOM 874 NH2 ARG A 221 -3.325 -21.721 -57.612 1.00 0.00 N ATOM 0 H ARG A 221 -2.103 -15.529 -56.151 1.00 0.00 H new ATOM 0 HA ARG A 221 0.467 -15.978 -57.290 1.00 0.00 H new ATOM 0 HB2 ARG A 221 -0.875 -17.444 -55.736 1.00 0.00 H new ATOM 0 HB3 ARG A 221 -1.977 -17.775 -57.058 1.00 0.00 H new ATOM 0 HG2 ARG A 221 0.950 -18.330 -57.472 1.00 0.00 H new ATOM 0 HG3 ARG A 221 0.038 -19.414 -56.440 1.00 0.00 H new ATOM 0 HD2 ARG A 221 -0.616 -18.779 -59.348 1.00 0.00 H new ATOM 0 HD3 ARG A 221 0.177 -20.234 -58.777 1.00 0.00 H new ATOM 0 HE ARG A 221 -2.673 -19.636 -58.716 1.00 0.00 H new ATOM 0 HH11 ARG A 221 -0.234 -21.555 -56.985 1.00 0.00 H new ATOM 0 HH12 ARG A 221 -1.439 -22.751 -56.497 1.00 0.00 H new ATOM 0 HH21 ARG A 221 -4.082 -21.245 -58.103 1.00 0.00 H new ATOM 0 HH22 ARG A 221 -3.512 -22.583 -57.100 1.00 0.00 H new ATOM 888 N TYR A 222 -1.986 -15.922 -59.468 1.00 0.00 N ATOM 889 CA TYR A 222 -2.284 -15.827 -60.903 1.00 0.00 C ATOM 890 C TYR A 222 -1.914 -14.464 -61.525 1.00 0.00 C ATOM 891 O TYR A 222 -1.583 -14.417 -62.713 1.00 0.00 O ATOM 892 CB TYR A 222 -3.777 -16.115 -61.149 1.00 0.00 C ATOM 893 CG TYR A 222 -4.291 -17.489 -60.736 1.00 0.00 C ATOM 894 CD1 TYR A 222 -3.541 -18.656 -60.999 1.00 0.00 C ATOM 895 CD2 TYR A 222 -5.557 -17.602 -60.124 1.00 0.00 C ATOM 896 CE1 TYR A 222 -4.039 -19.917 -60.620 1.00 0.00 C ATOM 897 CE2 TYR A 222 -6.056 -18.862 -59.741 1.00 0.00 C ATOM 898 CZ TYR A 222 -5.292 -20.023 -59.981 1.00 0.00 C ATOM 899 OH TYR A 222 -5.746 -21.245 -59.591 1.00 0.00 O ATOM 0 H TYR A 222 -2.808 -15.805 -58.876 1.00 0.00 H new ATOM 0 HA TYR A 222 -1.661 -16.575 -61.393 1.00 0.00 H new ATOM 0 HB2 TYR A 222 -4.360 -15.361 -60.619 1.00 0.00 H new ATOM 0 HB3 TYR A 222 -3.977 -15.983 -62.212 1.00 0.00 H new ATOM 0 HD1 TYR A 222 -2.583 -18.581 -61.492 1.00 0.00 H new ATOM 0 HD2 TYR A 222 -6.148 -16.715 -59.948 1.00 0.00 H new ATOM 0 HE1 TYR A 222 -3.460 -20.806 -60.819 1.00 0.00 H new ATOM 0 HE2 TYR A 222 -7.022 -18.939 -59.264 1.00 0.00 H new ATOM 0 HH TYR A 222 -6.623 -21.147 -59.165 1.00 0.00 H new ATOM 909 N GLY A 223 -1.970 -13.358 -60.769 1.00 0.00 N ATOM 910 CA GLY A 223 -1.678 -12.017 -61.295 1.00 0.00 C ATOM 911 C GLY A 223 -1.847 -10.854 -60.307 1.00 0.00 C ATOM 912 O GLY A 223 -2.696 -9.986 -60.529 1.00 0.00 O ATOM 0 H GLY A 223 -2.218 -13.368 -59.780 1.00 0.00 H new ATOM 0 HA2 GLY A 223 -0.652 -12.008 -61.663 1.00 0.00 H new ATOM 0 HA3 GLY A 223 -2.326 -11.836 -62.153 1.00 0.00 H new ATOM 916 N ARG A 224 -1.053 -10.825 -59.223 1.00 0.00 N ATOM 917 CA ARG A 224 -1.048 -9.751 -58.201 1.00 0.00 C ATOM 918 C ARG A 224 -0.908 -8.335 -58.787 1.00 0.00 C ATOM 919 O ARG A 224 -0.283 -8.137 -59.833 1.00 0.00 O ATOM 920 CB ARG A 224 0.053 -10.013 -57.149 1.00 0.00 C ATOM 921 CG ARG A 224 1.485 -10.009 -57.714 1.00 0.00 C ATOM 922 CD ARG A 224 2.501 -10.366 -56.623 1.00 0.00 C ATOM 923 NE ARG A 224 3.877 -10.352 -57.152 1.00 0.00 N ATOM 924 CZ ARG A 224 4.970 -10.707 -56.496 1.00 0.00 C ATOM 925 NH1 ARG A 224 4.947 -11.127 -55.257 1.00 0.00 N ATOM 926 NH2 ARG A 224 6.136 -10.648 -57.081 1.00 0.00 N ATOM 0 H ARG A 224 -0.378 -11.564 -59.023 1.00 0.00 H new ATOM 0 HA ARG A 224 -2.028 -9.783 -57.724 1.00 0.00 H new ATOM 0 HB2 ARG A 224 -0.019 -9.255 -56.369 1.00 0.00 H new ATOM 0 HB3 ARG A 224 -0.135 -10.977 -56.676 1.00 0.00 H new ATOM 0 HG2 ARG A 224 1.559 -10.723 -58.534 1.00 0.00 H new ATOM 0 HG3 ARG A 224 1.716 -9.026 -58.125 1.00 0.00 H new ATOM 0 HD2 ARG A 224 2.418 -9.657 -55.799 1.00 0.00 H new ATOM 0 HD3 ARG A 224 2.274 -11.353 -56.219 1.00 0.00 H new ATOM 0 HE ARG A 224 3.998 -10.039 -58.115 1.00 0.00 H new ATOM 0 HH11 ARG A 224 4.060 -11.191 -54.757 1.00 0.00 H new ATOM 0 HH12 ARG A 224 5.816 -11.390 -54.791 1.00 0.00 H new ATOM 0 HH21 ARG A 224 6.206 -10.327 -58.047 1.00 0.00 H new ATOM 0 HH22 ARG A 224 6.976 -10.922 -56.572 1.00 0.00 H new ATOM 940 N LEU A 225 -1.455 -7.345 -58.078 1.00 0.00 N ATOM 941 CA LEU A 225 -1.407 -5.923 -58.447 1.00 0.00 C ATOM 942 C LEU A 225 -0.245 -5.192 -57.750 1.00 0.00 C ATOM 943 O LEU A 225 0.171 -5.566 -56.650 1.00 0.00 O ATOM 944 CB LEU A 225 -2.750 -5.254 -58.081 1.00 0.00 C ATOM 945 CG LEU A 225 -4.003 -5.889 -58.715 1.00 0.00 C ATOM 946 CD1 LEU A 225 -5.249 -5.121 -58.273 1.00 0.00 C ATOM 947 CD2 LEU A 225 -3.958 -5.889 -60.245 1.00 0.00 C ATOM 0 H LEU A 225 -1.958 -7.512 -57.207 1.00 0.00 H new ATOM 0 HA LEU A 225 -1.238 -5.855 -59.522 1.00 0.00 H new ATOM 0 HB2 LEU A 225 -2.863 -5.275 -56.997 1.00 0.00 H new ATOM 0 HB3 LEU A 225 -2.706 -4.206 -58.377 1.00 0.00 H new ATOM 0 HG LEU A 225 -4.034 -6.925 -58.376 1.00 0.00 H new ATOM 0 HD11 LEU A 225 -6.133 -5.572 -58.723 1.00 0.00 H new ATOM 0 HD12 LEU A 225 -5.334 -5.160 -57.187 1.00 0.00 H new ATOM 0 HD13 LEU A 225 -5.169 -4.082 -58.594 1.00 0.00 H new ATOM 0 HD21 LEU A 225 -4.866 -6.348 -60.636 1.00 0.00 H new ATOM 0 HD22 LEU A 225 -3.885 -4.863 -60.607 1.00 0.00 H new ATOM 0 HD23 LEU A 225 -3.090 -6.455 -60.583 1.00 0.00 H new ATOM 959 N ALA A 226 0.265 -4.128 -58.380 1.00 0.00 N ATOM 960 CA ALA A 226 1.353 -3.299 -57.845 1.00 0.00 C ATOM 961 C ALA A 226 0.881 -2.231 -56.828 1.00 0.00 C ATOM 962 O ALA A 226 1.692 -1.716 -56.056 1.00 0.00 O ATOM 963 CB ALA A 226 2.071 -2.641 -59.031 1.00 0.00 C ATOM 0 H ALA A 226 -0.071 -3.813 -59.290 1.00 0.00 H new ATOM 0 HA ALA A 226 2.028 -3.946 -57.284 1.00 0.00 H new ATOM 0 HB1 ALA A 226 2.886 -2.018 -58.663 1.00 0.00 H new ATOM 0 HB2 ALA A 226 2.473 -3.413 -59.687 1.00 0.00 H new ATOM 0 HB3 ALA A 226 1.365 -2.024 -59.587 1.00 0.00 H new ATOM 969 N ASP A 227 -0.419 -1.901 -56.819 1.00 0.00 N ATOM 970 CA ASP A 227 -1.094 -0.908 -55.959 1.00 0.00 C ATOM 971 C ASP A 227 -0.236 0.313 -55.573 1.00 0.00 C ATOM 972 O ASP A 227 -0.335 1.384 -56.189 1.00 0.00 O ATOM 973 CB ASP A 227 -1.694 -1.600 -54.723 1.00 0.00 C ATOM 974 CG ASP A 227 -0.640 -2.098 -53.724 1.00 0.00 C ATOM 975 OD1 ASP A 227 -0.095 -1.248 -52.980 1.00 0.00 O ATOM 976 OD2 ASP A 227 -0.391 -3.327 -53.690 1.00 0.00 O ATOM 0 H ASP A 227 -1.076 -2.351 -57.456 1.00 0.00 H new ATOM 0 HA ASP A 227 -1.895 -0.484 -56.565 1.00 0.00 H new ATOM 0 HB2 ASP A 227 -2.362 -0.904 -54.216 1.00 0.00 H new ATOM 0 HB3 ASP A 227 -2.301 -2.445 -55.049 1.00 0.00 H new TER 981 ASP A 227 HETATM 982 ZN ZN A 301 -10.011 -12.167 -42.725 1.00 0.00 ZN