USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=10 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= 0.0598 USER MOD Single : A 169 THR OG1 : rot 180:sc= 0 USER MOD Single : A 170 LYS NZ :NH3+ -110:sc= 0.0515 (180deg=-0.0132) USER MOD Single : A 175 HIS : no HD1:sc= -0.0731 X(o=-0.073,f=-0.086) USER MOD Single : A 176 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 177 ASN : amide:sc= 0.88 K(o=0.88,f=-0.8) 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= -0.125 X(o=-0.12,f=-0.12) USER MOD Single : A 199 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 201 GLN : amide:sc= 0.583 K(o=0.58,f=-0.011) USER MOD Single : A 202 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.16) USER MOD Single : A 204 TYR OH : rot 73:sc= 0.0382 USER MOD Single : A 207 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00794) 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= -0.0418 X(o=-0.042,f=-0.083) USER MOD Single : A 214 THR OG1 : rot 77:sc= 0.981 USER MOD Single : A 215 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 217 LYS NZ :NH3+ -143:sc= -0.0211 (180deg=-0.959) 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 -0.441 -13.235 -7.798 1.00 0.00 N ATOM 2 CA SER A 168 -1.136 -12.016 -8.236 1.00 0.00 C ATOM 3 C SER A 168 -2.081 -12.220 -9.434 1.00 0.00 C ATOM 4 O SER A 168 -2.848 -11.318 -9.779 1.00 0.00 O ATOM 5 CB SER A 168 -0.102 -10.930 -8.565 1.00 0.00 C ATOM 6 OG SER A 168 0.742 -11.350 -9.630 1.00 0.00 O ATOM 0 HA SER A 168 -1.773 -11.712 -7.405 1.00 0.00 H new ATOM 0 HB2 SER A 168 -0.611 -10.006 -8.840 1.00 0.00 H new ATOM 0 HB3 SER A 168 0.499 -10.712 -7.682 1.00 0.00 H new ATOM 0 HG SER A 168 0.869 -12.321 -9.583 1.00 0.00 H new ATOM 12 N THR A 169 -2.043 -13.402 -10.063 1.00 0.00 N ATOM 13 CA THR A 169 -2.867 -13.807 -11.227 1.00 0.00 C ATOM 14 C THR A 169 -2.743 -12.866 -12.447 1.00 0.00 C ATOM 15 O THR A 169 -3.639 -12.790 -13.291 1.00 0.00 O ATOM 16 CB THR A 169 -4.340 -14.073 -10.822 1.00 0.00 C ATOM 17 OG1 THR A 169 -4.447 -14.582 -9.501 1.00 0.00 O ATOM 18 CG2 THR A 169 -5.030 -15.115 -11.710 1.00 0.00 C ATOM 0 H THR A 169 -1.409 -14.143 -9.765 1.00 0.00 H new ATOM 0 HA THR A 169 -2.449 -14.754 -11.569 1.00 0.00 H new ATOM 0 HB THR A 169 -4.817 -13.098 -10.923 1.00 0.00 H new ATOM 0 HG1 THR A 169 -5.391 -14.734 -9.285 1.00 0.00 H new ATOM 0 HG21 THR A 169 -6.058 -15.256 -11.375 1.00 0.00 H new ATOM 0 HG22 THR A 169 -5.030 -14.770 -12.744 1.00 0.00 H new ATOM 0 HG23 THR A 169 -4.494 -16.062 -11.644 1.00 0.00 H new ATOM 26 N LYS A 170 -1.621 -12.140 -12.574 1.00 0.00 N ATOM 27 CA LYS A 170 -1.305 -11.214 -13.684 1.00 0.00 C ATOM 28 C LYS A 170 -0.865 -11.969 -14.954 1.00 0.00 C ATOM 29 O LYS A 170 0.260 -11.818 -15.434 1.00 0.00 O ATOM 30 CB LYS A 170 -0.264 -10.172 -13.217 1.00 0.00 C ATOM 31 CG LYS A 170 -0.753 -9.252 -12.084 1.00 0.00 C ATOM 32 CD LYS A 170 -1.895 -8.311 -12.506 1.00 0.00 C ATOM 33 CE LYS A 170 -2.318 -7.391 -11.354 1.00 0.00 C ATOM 34 NZ LYS A 170 -3.040 -8.134 -10.299 1.00 0.00 N ATOM 0 H LYS A 170 -0.875 -12.181 -11.879 1.00 0.00 H new ATOM 0 HA LYS A 170 -2.212 -10.677 -13.962 1.00 0.00 H new ATOM 0 HB2 LYS A 170 0.632 -10.695 -12.883 1.00 0.00 H new ATOM 0 HB3 LYS A 170 0.025 -9.557 -14.069 1.00 0.00 H new ATOM 0 HG2 LYS A 170 -1.089 -9.866 -11.248 1.00 0.00 H new ATOM 0 HG3 LYS A 170 0.085 -8.655 -11.725 1.00 0.00 H new ATOM 0 HD2 LYS A 170 -1.576 -7.708 -13.356 1.00 0.00 H new ATOM 0 HD3 LYS A 170 -2.751 -8.900 -12.836 1.00 0.00 H new ATOM 0 HE2 LYS A 170 -1.436 -6.915 -10.925 1.00 0.00 H new ATOM 0 HE3 LYS A 170 -2.955 -6.594 -11.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -4.042 -7.857 -10.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 -2.963 -9.155 -10.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -2.624 -7.913 -9.372 1.00 0.00 H new ATOM 48 N VAL A 171 -1.758 -12.819 -15.473 1.00 0.00 N ATOM 49 CA VAL A 171 -1.540 -13.703 -16.641 1.00 0.00 C ATOM 50 C VAL A 171 -2.545 -13.494 -17.789 1.00 0.00 C ATOM 51 O VAL A 171 -2.492 -14.210 -18.790 1.00 0.00 O ATOM 52 CB VAL A 171 -1.479 -15.186 -16.206 1.00 0.00 C ATOM 53 CG1 VAL A 171 -0.304 -15.442 -15.253 1.00 0.00 C ATOM 54 CG2 VAL A 171 -2.766 -15.674 -15.525 1.00 0.00 C ATOM 0 H VAL A 171 -2.694 -12.920 -15.080 1.00 0.00 H new ATOM 0 HA VAL A 171 -0.573 -13.415 -17.054 1.00 0.00 H new ATOM 0 HB VAL A 171 -1.347 -15.746 -17.132 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -0.290 -16.494 -14.967 1.00 0.00 H new ATOM 0 HG12 VAL A 171 0.631 -15.190 -15.753 1.00 0.00 H new ATOM 0 HG13 VAL A 171 -0.417 -14.825 -14.362 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -2.655 -16.722 -15.246 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -2.953 -15.078 -14.632 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -3.604 -15.569 -16.214 1.00 0.00 H new ATOM 64 N GLU A 172 -3.442 -12.504 -17.684 1.00 0.00 N ATOM 65 CA GLU A 172 -4.440 -12.167 -18.721 1.00 0.00 C ATOM 66 C GLU A 172 -4.614 -10.647 -18.902 1.00 0.00 C ATOM 67 O GLU A 172 -4.426 -10.141 -20.009 1.00 0.00 O ATOM 68 CB GLU A 172 -5.805 -12.801 -18.386 1.00 0.00 C ATOM 69 CG GLU A 172 -5.830 -14.327 -18.535 1.00 0.00 C ATOM 70 CD GLU A 172 -7.236 -14.881 -18.272 1.00 0.00 C ATOM 71 OE1 GLU A 172 -8.045 -14.919 -19.232 1.00 0.00 O ATOM 72 OE2 GLU A 172 -7.512 -15.265 -17.109 1.00 0.00 O ATOM 0 H GLU A 172 -3.499 -11.901 -16.863 1.00 0.00 H new ATOM 0 HA GLU A 172 -4.062 -12.574 -19.659 1.00 0.00 H new ATOM 0 HB2 GLU A 172 -6.075 -12.540 -17.363 1.00 0.00 H new ATOM 0 HB3 GLU A 172 -6.566 -12.369 -19.036 1.00 0.00 H new ATOM 0 HG2 GLU A 172 -5.508 -14.603 -19.539 1.00 0.00 H new ATOM 0 HG3 GLU A 172 -5.122 -14.776 -17.838 1.00 0.00 H new ATOM 79 N ALA A 173 -4.954 -9.915 -17.829 1.00 0.00 N ATOM 80 CA ALA A 173 -5.182 -8.458 -17.819 1.00 0.00 C ATOM 81 C ALA A 173 -6.186 -7.935 -18.885 1.00 0.00 C ATOM 82 O ALA A 173 -6.101 -6.788 -19.330 1.00 0.00 O ATOM 83 CB ALA A 173 -3.819 -7.745 -17.830 1.00 0.00 C ATOM 0 H ALA A 173 -5.083 -10.336 -16.909 1.00 0.00 H new ATOM 0 HA ALA A 173 -5.704 -8.209 -16.895 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -3.973 -6.666 -17.823 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -3.249 -8.036 -16.948 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -3.268 -8.027 -18.727 1.00 0.00 H new ATOM 89 N LEU A 174 -7.155 -8.767 -19.295 1.00 0.00 N ATOM 90 CA LEU A 174 -8.191 -8.461 -20.302 1.00 0.00 C ATOM 91 C LEU A 174 -9.424 -7.716 -19.726 1.00 0.00 C ATOM 92 O LEU A 174 -10.531 -7.829 -20.262 1.00 0.00 O ATOM 93 CB LEU A 174 -8.600 -9.769 -21.020 1.00 0.00 C ATOM 94 CG LEU A 174 -7.470 -10.533 -21.738 1.00 0.00 C ATOM 95 CD1 LEU A 174 -8.042 -11.772 -22.427 1.00 0.00 C ATOM 96 CD2 LEU A 174 -6.758 -9.685 -22.795 1.00 0.00 C ATOM 0 H LEU A 174 -7.245 -9.711 -18.921 1.00 0.00 H new ATOM 0 HA LEU A 174 -7.756 -7.764 -21.019 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -9.052 -10.436 -20.286 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -9.372 -9.531 -21.752 1.00 0.00 H new ATOM 0 HG LEU A 174 -6.743 -10.804 -20.973 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -7.240 -12.309 -22.933 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -8.501 -12.423 -21.683 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -8.793 -11.469 -23.157 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -5.973 -10.276 -23.267 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -7.476 -9.367 -23.551 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -6.317 -8.808 -22.321 1.00 0.00 H new ATOM 108 N HIS A 175 -9.257 -6.966 -18.628 1.00 0.00 N ATOM 109 CA HIS A 175 -10.322 -6.201 -17.956 1.00 0.00 C ATOM 110 C HIS A 175 -9.816 -4.847 -17.426 1.00 0.00 C ATOM 111 O HIS A 175 -8.628 -4.692 -17.134 1.00 0.00 O ATOM 112 CB HIS A 175 -10.912 -7.073 -16.831 1.00 0.00 C ATOM 113 CG HIS A 175 -12.118 -6.464 -16.160 1.00 0.00 C ATOM 114 ND1 HIS A 175 -12.152 -5.912 -14.893 1.00 0.00 N ATOM 115 CD2 HIS A 175 -13.366 -6.334 -16.705 1.00 0.00 C ATOM 116 CE1 HIS A 175 -13.398 -5.450 -14.671 1.00 0.00 C ATOM 117 NE2 HIS A 175 -14.151 -5.698 -15.761 1.00 0.00 N ATOM 0 H HIS A 175 -8.352 -6.871 -18.168 1.00 0.00 H new ATOM 0 HA HIS A 175 -11.103 -5.961 -18.678 1.00 0.00 H new ATOM 0 HB2 HIS A 175 -11.188 -8.044 -17.243 1.00 0.00 H new ATOM 0 HB3 HIS A 175 -10.142 -7.252 -16.081 1.00 0.00 H new ATOM 0 HD2 HIS A 175 -13.678 -6.665 -17.685 1.00 0.00 H new ATOM 0 HE1 HIS A 175 -13.737 -4.962 -13.769 1.00 0.00 H new ATOM 0 HE2 HIS A 175 -15.136 -5.457 -15.871 1.00 0.00 H new ATOM 126 N GLN A 176 -10.731 -3.879 -17.281 1.00 0.00 N ATOM 127 CA GLN A 176 -10.489 -2.509 -16.791 1.00 0.00 C ATOM 128 C GLN A 176 -9.332 -1.779 -17.519 1.00 0.00 C ATOM 129 O GLN A 176 -8.546 -1.044 -16.917 1.00 0.00 O ATOM 130 CB GLN A 176 -10.379 -2.533 -15.251 1.00 0.00 C ATOM 131 CG GLN A 176 -10.730 -1.186 -14.597 1.00 0.00 C ATOM 132 CD GLN A 176 -10.669 -1.269 -13.072 1.00 0.00 C ATOM 133 OE1 GLN A 176 -11.513 -1.870 -12.418 1.00 0.00 O ATOM 134 NE2 GLN A 176 -9.675 -0.677 -12.440 1.00 0.00 N ATOM 0 H GLN A 176 -11.712 -4.035 -17.514 1.00 0.00 H new ATOM 0 HA GLN A 176 -11.347 -1.888 -17.047 1.00 0.00 H new ATOM 0 HB2 GLN A 176 -11.042 -3.304 -14.858 1.00 0.00 H new ATOM 0 HB3 GLN A 176 -9.363 -2.812 -14.970 1.00 0.00 H new ATOM 0 HG2 GLN A 176 -10.039 -0.419 -14.948 1.00 0.00 H new ATOM 0 HG3 GLN A 176 -11.730 -0.880 -14.906 1.00 0.00 H new ATOM 0 HE21 GLN A 176 -8.963 -0.172 -12.968 1.00 0.00 H new ATOM 0 HE22 GLN A 176 -9.618 -0.724 -11.423 1.00 0.00 H new ATOM 143 N ASN A 177 -9.217 -1.991 -18.835 1.00 0.00 N ATOM 144 CA ASN A 177 -8.193 -1.419 -19.724 1.00 0.00 C ATOM 145 C ASN A 177 -8.460 0.071 -20.064 1.00 0.00 C ATOM 146 O ASN A 177 -8.549 0.449 -21.237 1.00 0.00 O ATOM 147 CB ASN A 177 -8.074 -2.316 -20.976 1.00 0.00 C ATOM 148 CG ASN A 177 -7.788 -3.770 -20.633 1.00 0.00 C ATOM 149 OD1 ASN A 177 -8.675 -4.611 -20.632 1.00 0.00 O ATOM 150 ND2 ASN A 177 -6.559 -4.110 -20.320 1.00 0.00 N ATOM 0 H ASN A 177 -9.867 -2.596 -19.336 1.00 0.00 H new ATOM 0 HA ASN A 177 -7.233 -1.408 -19.207 1.00 0.00 H new ATOM 0 HB2 ASN A 177 -9.000 -2.258 -21.549 1.00 0.00 H new ATOM 0 HB3 ASN A 177 -7.278 -1.935 -21.616 1.00 0.00 H new ATOM 0 HD21 ASN A 177 -6.344 -5.077 -20.076 1.00 0.00 H new ATOM 0 HD22 ASN A 177 -5.820 -3.407 -20.321 1.00 0.00 H new ATOM 157 N ARG A 178 -8.609 0.911 -19.026 1.00 0.00 N ATOM 158 CA ARG A 178 -8.923 2.358 -19.078 1.00 0.00 C ATOM 159 C ARG A 178 -10.280 2.660 -19.744 1.00 0.00 C ATOM 160 O ARG A 178 -11.066 1.762 -20.046 1.00 0.00 O ATOM 161 CB ARG A 178 -7.741 3.152 -19.690 1.00 0.00 C ATOM 162 CG ARG A 178 -6.412 2.942 -18.945 1.00 0.00 C ATOM 163 CD ARG A 178 -5.307 3.809 -19.564 1.00 0.00 C ATOM 164 NE ARG A 178 -4.018 3.628 -18.870 1.00 0.00 N ATOM 165 CZ ARG A 178 -3.588 4.291 -17.807 1.00 0.00 C ATOM 166 NH1 ARG A 178 -4.298 5.212 -17.207 1.00 0.00 N ATOM 167 NH2 ARG A 178 -2.408 4.037 -17.310 1.00 0.00 N ATOM 0 H ARG A 178 -8.508 0.582 -18.066 1.00 0.00 H new ATOM 0 HA ARG A 178 -9.045 2.706 -18.052 1.00 0.00 H new ATOM 0 HB2 ARG A 178 -7.615 2.857 -20.732 1.00 0.00 H new ATOM 0 HB3 ARG A 178 -7.986 4.214 -19.687 1.00 0.00 H new ATOM 0 HG2 ARG A 178 -6.534 3.195 -17.892 1.00 0.00 H new ATOM 0 HG3 ARG A 178 -6.126 1.891 -18.989 1.00 0.00 H new ATOM 0 HD2 ARG A 178 -5.192 3.554 -20.618 1.00 0.00 H new ATOM 0 HD3 ARG A 178 -5.600 4.858 -19.520 1.00 0.00 H new ATOM 0 HE ARG A 178 -3.392 2.917 -19.249 1.00 0.00 H new ATOM 0 HH11 ARG A 178 -5.227 5.447 -17.555 1.00 0.00 H new ATOM 0 HH12 ARG A 178 -3.922 5.695 -16.391 1.00 0.00 H new ATOM 0 HH21 ARG A 178 -1.815 3.327 -17.740 1.00 0.00 H new ATOM 0 HH22 ARG A 178 -2.079 4.549 -16.491 1.00 0.00 H new ATOM 181 N GLU A 179 -10.571 3.943 -19.961 1.00 0.00 N ATOM 182 CA GLU A 179 -11.817 4.454 -20.563 1.00 0.00 C ATOM 183 C GLU A 179 -11.637 4.745 -22.074 1.00 0.00 C ATOM 184 O GLU A 179 -12.150 5.732 -22.610 1.00 0.00 O ATOM 185 CB GLU A 179 -12.316 5.683 -19.770 1.00 0.00 C ATOM 186 CG GLU A 179 -12.772 5.372 -18.332 1.00 0.00 C ATOM 187 CD GLU A 179 -11.617 5.049 -17.372 1.00 0.00 C ATOM 188 OE1 GLU A 179 -10.783 5.954 -17.124 1.00 0.00 O ATOM 189 OE2 GLU A 179 -11.554 3.893 -16.889 1.00 0.00 O ATOM 0 H GLU A 179 -9.923 4.691 -19.714 1.00 0.00 H new ATOM 0 HA GLU A 179 -12.587 3.685 -20.498 1.00 0.00 H new ATOM 0 HB2 GLU A 179 -11.518 6.424 -19.732 1.00 0.00 H new ATOM 0 HB3 GLU A 179 -13.146 6.136 -20.311 1.00 0.00 H new ATOM 0 HG2 GLU A 179 -13.327 6.226 -17.944 1.00 0.00 H new ATOM 0 HG3 GLU A 179 -13.461 4.528 -18.354 1.00 0.00 H new ATOM 196 N MET A 180 -10.866 3.895 -22.765 1.00 0.00 N ATOM 197 CA MET A 180 -10.549 4.002 -24.197 1.00 0.00 C ATOM 198 C MET A 180 -11.803 4.070 -25.095 1.00 0.00 C ATOM 199 O MET A 180 -12.792 3.367 -24.865 1.00 0.00 O ATOM 200 CB MET A 180 -9.646 2.816 -24.584 1.00 0.00 C ATOM 201 CG MET A 180 -9.114 2.915 -26.019 1.00 0.00 C ATOM 202 SD MET A 180 -7.938 1.608 -26.462 1.00 0.00 S ATOM 203 CE MET A 180 -7.613 2.081 -28.183 1.00 0.00 C ATOM 0 H MET A 180 -10.429 3.084 -22.327 1.00 0.00 H new ATOM 0 HA MET A 180 -10.028 4.945 -24.363 1.00 0.00 H new ATOM 0 HB2 MET A 180 -8.805 2.765 -23.893 1.00 0.00 H new ATOM 0 HB3 MET A 180 -10.206 1.888 -24.473 1.00 0.00 H new ATOM 0 HG2 MET A 180 -9.956 2.882 -26.711 1.00 0.00 H new ATOM 0 HG3 MET A 180 -8.631 3.883 -26.151 1.00 0.00 H new ATOM 0 HE1 MET A 180 -6.903 1.382 -28.624 1.00 0.00 H new ATOM 0 HE2 MET A 180 -8.544 2.058 -28.749 1.00 0.00 H new ATOM 0 HE3 MET A 180 -7.197 3.088 -28.211 1.00 0.00 H new ATOM 213 N ILE A 181 -11.741 4.910 -26.136 1.00 0.00 N ATOM 214 CA ILE A 181 -12.802 5.107 -27.137 1.00 0.00 C ATOM 215 C ILE A 181 -13.139 3.809 -27.904 1.00 0.00 C ATOM 216 O ILE A 181 -12.304 2.918 -28.064 1.00 0.00 O ATOM 217 CB ILE A 181 -12.423 6.294 -28.060 1.00 0.00 C ATOM 218 CG1 ILE A 181 -13.616 6.736 -28.938 1.00 0.00 C ATOM 219 CG2 ILE A 181 -11.160 6.008 -28.898 1.00 0.00 C ATOM 220 CD1 ILE A 181 -13.419 8.097 -29.619 1.00 0.00 C ATOM 0 H ILE A 181 -10.923 5.493 -26.312 1.00 0.00 H new ATOM 0 HA ILE A 181 -13.729 5.366 -26.626 1.00 0.00 H new ATOM 0 HB ILE A 181 -12.174 7.132 -27.409 1.00 0.00 H new ATOM 0 HG12 ILE A 181 -13.790 5.980 -29.704 1.00 0.00 H new ATOM 0 HG13 ILE A 181 -14.513 6.777 -28.320 1.00 0.00 H new ATOM 0 HG21 ILE A 181 -10.938 6.870 -29.527 1.00 0.00 H new ATOM 0 HG22 ILE A 181 -10.318 5.817 -28.233 1.00 0.00 H new ATOM 0 HG23 ILE A 181 -11.331 5.134 -29.527 1.00 0.00 H new ATOM 0 HD11 ILE A 181 -14.299 8.336 -30.216 1.00 0.00 H new ATOM 0 HD12 ILE A 181 -13.276 8.866 -28.860 1.00 0.00 H new ATOM 0 HD13 ILE A 181 -12.542 8.057 -30.265 1.00 0.00 H new ATOM 232 N ASP A 182 -14.382 3.708 -28.378 1.00 0.00 N ATOM 233 CA ASP A 182 -14.964 2.548 -29.072 1.00 0.00 C ATOM 234 C ASP A 182 -15.537 2.894 -30.470 1.00 0.00 C ATOM 235 O ASP A 182 -16.755 2.866 -30.675 1.00 0.00 O ATOM 236 CB ASP A 182 -15.989 1.881 -28.126 1.00 0.00 C ATOM 237 CG ASP A 182 -17.247 2.717 -27.814 1.00 0.00 C ATOM 238 OD1 ASP A 182 -17.115 3.938 -27.550 1.00 0.00 O ATOM 239 OD2 ASP A 182 -18.353 2.124 -27.792 1.00 0.00 O ATOM 0 H ASP A 182 -15.050 4.473 -28.285 1.00 0.00 H new ATOM 0 HA ASP A 182 -14.175 1.830 -29.297 1.00 0.00 H new ATOM 0 HB2 ASP A 182 -16.303 0.935 -28.568 1.00 0.00 H new ATOM 0 HB3 ASP A 182 -15.490 1.644 -27.187 1.00 0.00 H new ATOM 244 N PRO A 183 -14.677 3.241 -31.450 1.00 0.00 N ATOM 245 CA PRO A 183 -15.099 3.588 -32.807 1.00 0.00 C ATOM 246 C PRO A 183 -15.483 2.348 -33.634 1.00 0.00 C ATOM 247 O PRO A 183 -15.073 1.221 -33.341 1.00 0.00 O ATOM 248 CB PRO A 183 -13.882 4.291 -33.420 1.00 0.00 C ATOM 249 CG PRO A 183 -12.705 3.577 -32.757 1.00 0.00 C ATOM 250 CD PRO A 183 -13.224 3.312 -31.345 1.00 0.00 C ATOM 0 HA PRO A 183 -15.991 4.214 -32.797 1.00 0.00 H new ATOM 0 HB2 PRO A 183 -13.859 4.186 -34.505 1.00 0.00 H new ATOM 0 HB3 PRO A 183 -13.881 5.359 -33.203 1.00 0.00 H new ATOM 0 HG2 PRO A 183 -12.449 2.652 -33.274 1.00 0.00 H new ATOM 0 HG3 PRO A 183 -11.808 4.197 -32.749 1.00 0.00 H new ATOM 0 HD2 PRO A 183 -12.817 2.382 -30.949 1.00 0.00 H new ATOM 0 HD3 PRO A 183 -12.922 4.107 -30.664 1.00 0.00 H new ATOM 258 N ASP A 184 -16.230 2.563 -34.719 1.00 0.00 N ATOM 259 CA ASP A 184 -16.577 1.511 -35.683 1.00 0.00 C ATOM 260 C ASP A 184 -15.401 1.268 -36.651 1.00 0.00 C ATOM 261 O ASP A 184 -14.799 2.226 -37.149 1.00 0.00 O ATOM 262 CB ASP A 184 -17.865 1.879 -36.439 1.00 0.00 C ATOM 263 CG ASP A 184 -17.721 3.102 -37.355 1.00 0.00 C ATOM 264 OD1 ASP A 184 -17.651 4.233 -36.816 1.00 0.00 O ATOM 265 OD2 ASP A 184 -17.705 2.910 -38.595 1.00 0.00 O ATOM 0 H ASP A 184 -16.615 3.477 -34.957 1.00 0.00 H new ATOM 0 HA ASP A 184 -16.765 0.582 -35.145 1.00 0.00 H new ATOM 0 HB2 ASP A 184 -18.180 1.024 -37.038 1.00 0.00 H new ATOM 0 HB3 ASP A 184 -18.657 2.071 -35.715 1.00 0.00 H new ATOM 270 N LYS A 185 -15.069 -0.001 -36.925 1.00 0.00 N ATOM 271 CA LYS A 185 -13.962 -0.412 -37.805 1.00 0.00 C ATOM 272 C LYS A 185 -14.356 -1.607 -38.679 1.00 0.00 C ATOM 273 O LYS A 185 -15.329 -2.304 -38.386 1.00 0.00 O ATOM 274 CB LYS A 185 -12.733 -0.741 -36.939 1.00 0.00 C ATOM 275 CG LYS A 185 -12.073 0.503 -36.323 1.00 0.00 C ATOM 276 CD LYS A 185 -10.796 0.127 -35.561 1.00 0.00 C ATOM 277 CE LYS A 185 -10.111 1.384 -35.016 1.00 0.00 C ATOM 278 NZ LYS A 185 -8.878 1.041 -34.276 1.00 0.00 N ATOM 0 H LYS A 185 -15.576 -0.793 -36.531 1.00 0.00 H new ATOM 0 HA LYS A 185 -13.721 0.408 -38.482 1.00 0.00 H new ATOM 0 HB2 LYS A 185 -13.032 -1.419 -36.139 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -11.999 -1.269 -37.548 1.00 0.00 H new ATOM 0 HG2 LYS A 185 -11.834 1.219 -37.109 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -12.773 0.993 -35.647 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -11.040 -0.547 -34.740 1.00 0.00 H new ATOM 0 HD3 LYS A 185 -10.115 -0.409 -36.222 1.00 0.00 H new ATOM 0 HE2 LYS A 185 -9.869 2.056 -35.839 1.00 0.00 H new ATOM 0 HE3 LYS A 185 -10.796 1.919 -34.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 -8.435 1.911 -33.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 -9.114 0.419 -33.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 -8.216 0.552 -34.912 1.00 0.00 H new ATOM 292 N PHE A 186 -13.594 -1.849 -39.745 1.00 0.00 N ATOM 293 CA PHE A 186 -13.831 -2.927 -40.712 1.00 0.00 C ATOM 294 C PHE A 186 -12.520 -3.474 -41.303 1.00 0.00 C ATOM 295 O PHE A 186 -11.601 -2.708 -41.612 1.00 0.00 O ATOM 296 CB PHE A 186 -14.743 -2.376 -41.825 1.00 0.00 C ATOM 297 CG PHE A 186 -15.006 -3.319 -42.987 1.00 0.00 C ATOM 298 CD1 PHE A 186 -15.828 -4.448 -42.811 1.00 0.00 C ATOM 299 CD2 PHE A 186 -14.444 -3.064 -44.254 1.00 0.00 C ATOM 300 CE1 PHE A 186 -16.066 -5.331 -43.879 1.00 0.00 C ATOM 301 CE2 PHE A 186 -14.705 -3.930 -45.331 1.00 0.00 C ATOM 302 CZ PHE A 186 -15.507 -5.070 -45.142 1.00 0.00 C ATOM 0 H PHE A 186 -12.772 -1.287 -39.968 1.00 0.00 H new ATOM 0 HA PHE A 186 -14.310 -3.764 -40.204 1.00 0.00 H new ATOM 0 HB2 PHE A 186 -15.700 -2.099 -41.382 1.00 0.00 H new ATOM 0 HB3 PHE A 186 -14.296 -1.462 -42.216 1.00 0.00 H new ATOM 0 HD1 PHE A 186 -16.279 -4.637 -41.848 1.00 0.00 H new ATOM 0 HD2 PHE A 186 -13.811 -2.201 -44.398 1.00 0.00 H new ATOM 0 HE1 PHE A 186 -16.677 -6.209 -43.729 1.00 0.00 H new ATOM 0 HE2 PHE A 186 -14.289 -3.719 -46.305 1.00 0.00 H new ATOM 0 HZ PHE A 186 -15.693 -5.743 -45.966 1.00 0.00 H new ATOM 312 N CYS A 187 -12.466 -4.795 -41.494 1.00 0.00 N ATOM 313 CA CYS A 187 -11.358 -5.542 -42.085 1.00 0.00 C ATOM 314 C CYS A 187 -11.786 -6.026 -43.484 1.00 0.00 C ATOM 315 O CYS A 187 -12.559 -6.979 -43.634 1.00 0.00 O ATOM 316 CB CYS A 187 -10.969 -6.691 -41.140 1.00 0.00 C ATOM 317 SG CYS A 187 -9.436 -7.495 -41.700 1.00 0.00 S ATOM 0 H CYS A 187 -13.239 -5.404 -41.224 1.00 0.00 H new ATOM 0 HA CYS A 187 -10.472 -4.920 -42.211 1.00 0.00 H new ATOM 0 HB2 CYS A 187 -10.835 -6.307 -40.129 1.00 0.00 H new ATOM 0 HB3 CYS A 187 -11.775 -7.423 -41.099 1.00 0.00 H new ATOM 322 N SER A 188 -11.326 -5.322 -44.524 1.00 0.00 N ATOM 323 CA SER A 188 -11.686 -5.606 -45.923 1.00 0.00 C ATOM 324 C SER A 188 -11.139 -6.939 -46.457 1.00 0.00 C ATOM 325 O SER A 188 -11.686 -7.485 -47.418 1.00 0.00 O ATOM 326 CB SER A 188 -11.230 -4.443 -46.816 1.00 0.00 C ATOM 327 OG SER A 188 -11.898 -4.453 -48.068 1.00 0.00 O ATOM 0 H SER A 188 -10.688 -4.533 -44.421 1.00 0.00 H new ATOM 0 HA SER A 188 -12.771 -5.706 -45.949 1.00 0.00 H new ATOM 0 HB2 SER A 188 -11.421 -3.497 -46.309 1.00 0.00 H new ATOM 0 HB3 SER A 188 -10.154 -4.507 -46.977 1.00 0.00 H new ATOM 0 HG SER A 188 -11.586 -3.699 -48.611 1.00 0.00 H new ATOM 333 N LEU A 189 -10.082 -7.487 -45.844 1.00 0.00 N ATOM 334 CA LEU A 189 -9.477 -8.763 -46.248 1.00 0.00 C ATOM 335 C LEU A 189 -10.222 -9.982 -45.657 1.00 0.00 C ATOM 336 O LEU A 189 -10.151 -11.073 -46.231 1.00 0.00 O ATOM 337 CB LEU A 189 -7.985 -8.796 -45.854 1.00 0.00 C ATOM 338 CG LEU A 189 -7.050 -7.937 -46.733 1.00 0.00 C ATOM 339 CD1 LEU A 189 -7.150 -6.432 -46.465 1.00 0.00 C ATOM 340 CD2 LEU A 189 -5.598 -8.352 -46.489 1.00 0.00 C ATOM 0 H LEU A 189 -9.618 -7.053 -45.046 1.00 0.00 H new ATOM 0 HA LEU A 189 -9.564 -8.833 -47.332 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -7.892 -8.463 -44.820 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -7.640 -9.829 -45.888 1.00 0.00 H new ATOM 0 HG LEU A 189 -7.367 -8.113 -47.761 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -6.463 -5.899 -47.122 1.00 0.00 H new ATOM 0 HD12 LEU A 189 -8.169 -6.095 -46.656 1.00 0.00 H new ATOM 0 HD13 LEU A 189 -6.890 -6.229 -45.426 1.00 0.00 H new ATOM 0 HD21 LEU A 189 -4.937 -7.746 -47.109 1.00 0.00 H new ATOM 0 HD22 LEU A 189 -5.348 -8.202 -45.439 1.00 0.00 H new ATOM 0 HD23 LEU A 189 -5.472 -9.404 -46.745 1.00 0.00 H new ATOM 352 N CYS A 190 -10.940 -9.791 -44.544 1.00 0.00 N ATOM 353 CA CYS A 190 -11.673 -10.823 -43.799 1.00 0.00 C ATOM 354 C CYS A 190 -13.207 -10.635 -43.811 1.00 0.00 C ATOM 355 O CYS A 190 -13.937 -11.515 -43.342 1.00 0.00 O ATOM 356 CB CYS A 190 -11.166 -10.796 -42.343 1.00 0.00 C ATOM 357 SG CYS A 190 -9.374 -11.101 -42.206 1.00 0.00 S ATOM 0 H CYS A 190 -11.030 -8.869 -44.118 1.00 0.00 H new ATOM 0 HA CYS A 190 -11.486 -11.780 -44.287 1.00 0.00 H new ATOM 0 HB2 CYS A 190 -11.399 -9.827 -41.901 1.00 0.00 H new ATOM 0 HB3 CYS A 190 -11.702 -11.548 -41.764 1.00 0.00 H new ATOM 362 N HIS A 191 -13.701 -9.497 -44.320 1.00 0.00 N ATOM 363 CA HIS A 191 -15.118 -9.100 -44.335 1.00 0.00 C ATOM 364 C HIS A 191 -15.736 -9.168 -42.922 1.00 0.00 C ATOM 365 O HIS A 191 -16.751 -9.831 -42.687 1.00 0.00 O ATOM 366 CB HIS A 191 -15.877 -9.871 -45.432 1.00 0.00 C ATOM 367 CG HIS A 191 -17.204 -9.247 -45.790 1.00 0.00 C ATOM 368 ND1 HIS A 191 -17.392 -8.187 -46.657 1.00 0.00 N ATOM 369 CD2 HIS A 191 -18.433 -9.622 -45.320 1.00 0.00 C ATOM 370 CE1 HIS A 191 -18.711 -7.920 -46.712 1.00 0.00 C ATOM 371 NE2 HIS A 191 -19.361 -8.782 -45.905 1.00 0.00 N ATOM 0 H HIS A 191 -13.098 -8.797 -44.752 1.00 0.00 H new ATOM 0 HA HIS A 191 -15.208 -8.049 -44.611 1.00 0.00 H new ATOM 0 HB2 HIS A 191 -15.255 -9.924 -46.326 1.00 0.00 H new ATOM 0 HB3 HIS A 191 -16.043 -10.895 -45.098 1.00 0.00 H new ATOM 0 HD2 HIS A 191 -18.639 -10.422 -44.624 1.00 0.00 H new ATOM 0 HE1 HIS A 191 -19.172 -7.144 -47.305 1.00 0.00 H new ATOM 0 HE2 HIS A 191 -20.369 -8.810 -45.752 1.00 0.00 H new ATOM 380 N ALA A 192 -15.088 -8.490 -41.971 1.00 0.00 N ATOM 381 CA ALA A 192 -15.451 -8.446 -40.550 1.00 0.00 C ATOM 382 C ALA A 192 -15.553 -6.997 -40.039 1.00 0.00 C ATOM 383 O ALA A 192 -14.771 -6.139 -40.446 1.00 0.00 O ATOM 384 CB ALA A 192 -14.401 -9.248 -39.765 1.00 0.00 C ATOM 0 H ALA A 192 -14.260 -7.932 -42.178 1.00 0.00 H new ATOM 0 HA ALA A 192 -16.436 -8.890 -40.407 1.00 0.00 H new ATOM 0 HB1 ALA A 192 -14.649 -9.231 -38.704 1.00 0.00 H new ATOM 0 HB2 ALA A 192 -14.392 -10.279 -40.119 1.00 0.00 H new ATOM 0 HB3 ALA A 192 -13.417 -8.804 -39.915 1.00 0.00 H new ATOM 390 N THR A 193 -16.509 -6.728 -39.144 1.00 0.00 N ATOM 391 CA THR A 193 -16.805 -5.393 -38.577 1.00 0.00 C ATOM 392 C THR A 193 -16.635 -5.400 -37.055 1.00 0.00 C ATOM 393 O THR A 193 -16.927 -6.408 -36.406 1.00 0.00 O ATOM 394 CB THR A 193 -18.250 -4.979 -38.929 1.00 0.00 C ATOM 395 OG1 THR A 193 -18.500 -5.116 -40.315 1.00 0.00 O ATOM 396 CG2 THR A 193 -18.595 -3.533 -38.566 1.00 0.00 C ATOM 0 H THR A 193 -17.124 -7.454 -38.777 1.00 0.00 H new ATOM 0 HA THR A 193 -16.104 -4.677 -39.006 1.00 0.00 H new ATOM 0 HB THR A 193 -18.868 -5.651 -38.333 1.00 0.00 H new ATOM 0 HG1 THR A 193 -19.423 -4.848 -40.509 1.00 0.00 H new ATOM 0 HG21 THR A 193 -19.627 -3.324 -38.846 1.00 0.00 H new ATOM 0 HG22 THR A 193 -18.474 -3.389 -37.492 1.00 0.00 H new ATOM 0 HG23 THR A 193 -17.930 -2.855 -39.100 1.00 0.00 H new ATOM 404 N PHE A 194 -16.186 -4.281 -36.473 1.00 0.00 N ATOM 405 CA PHE A 194 -15.930 -4.134 -35.033 1.00 0.00 C ATOM 406 C PHE A 194 -16.508 -2.816 -34.498 1.00 0.00 C ATOM 407 O PHE A 194 -16.651 -1.847 -35.247 1.00 0.00 O ATOM 408 CB PHE A 194 -14.412 -4.217 -34.759 1.00 0.00 C ATOM 409 CG PHE A 194 -13.652 -5.158 -35.680 1.00 0.00 C ATOM 410 CD1 PHE A 194 -13.840 -6.550 -35.588 1.00 0.00 C ATOM 411 CD2 PHE A 194 -12.844 -4.634 -36.707 1.00 0.00 C ATOM 412 CE1 PHE A 194 -13.258 -7.404 -36.540 1.00 0.00 C ATOM 413 CE2 PHE A 194 -12.252 -5.487 -37.651 1.00 0.00 C ATOM 414 CZ PHE A 194 -12.470 -6.872 -37.576 1.00 0.00 C ATOM 0 H PHE A 194 -15.986 -3.432 -37.002 1.00 0.00 H new ATOM 0 HA PHE A 194 -16.429 -4.949 -34.508 1.00 0.00 H new ATOM 0 HB2 PHE A 194 -13.985 -3.218 -34.849 1.00 0.00 H new ATOM 0 HB3 PHE A 194 -14.259 -4.537 -33.728 1.00 0.00 H new ATOM 0 HD1 PHE A 194 -14.432 -6.962 -34.785 1.00 0.00 H new ATOM 0 HD2 PHE A 194 -12.679 -3.569 -36.769 1.00 0.00 H new ATOM 0 HE1 PHE A 194 -13.416 -8.470 -36.476 1.00 0.00 H new ATOM 0 HE2 PHE A 194 -11.630 -5.079 -38.434 1.00 0.00 H new ATOM 0 HZ PHE A 194 -12.033 -7.528 -38.314 1.00 0.00 H new ATOM 424 N ASN A 195 -16.840 -2.778 -33.204 1.00 0.00 N ATOM 425 CA ASN A 195 -17.437 -1.611 -32.535 1.00 0.00 C ATOM 426 C ASN A 195 -16.880 -1.377 -31.109 1.00 0.00 C ATOM 427 O ASN A 195 -17.476 -0.661 -30.308 1.00 0.00 O ATOM 428 CB ASN A 195 -18.970 -1.797 -32.581 1.00 0.00 C ATOM 429 CG ASN A 195 -19.757 -0.546 -32.214 1.00 0.00 C ATOM 430 OD1 ASN A 195 -20.498 -0.504 -31.240 1.00 0.00 O ATOM 431 ND2 ASN A 195 -19.660 0.501 -33.004 1.00 0.00 N ATOM 0 H ASN A 195 -16.700 -3.571 -32.578 1.00 0.00 H new ATOM 0 HA ASN A 195 -17.164 -0.695 -33.059 1.00 0.00 H new ATOM 0 HB2 ASN A 195 -19.257 -2.113 -33.584 1.00 0.00 H new ATOM 0 HB3 ASN A 195 -19.249 -2.602 -31.901 1.00 0.00 H new ATOM 0 HD21 ASN A 195 -20.200 1.343 -32.804 1.00 0.00 H new ATOM 0 HD22 ASN A 195 -19.044 0.471 -33.817 1.00 0.00 H new ATOM 438 N ASP A 196 -15.727 -1.970 -30.783 1.00 0.00 N ATOM 439 CA ASP A 196 -15.027 -1.847 -29.495 1.00 0.00 C ATOM 440 C ASP A 196 -13.501 -1.919 -29.710 1.00 0.00 C ATOM 441 O ASP A 196 -13.055 -2.557 -30.672 1.00 0.00 O ATOM 442 CB ASP A 196 -15.502 -2.951 -28.533 1.00 0.00 C ATOM 443 CG ASP A 196 -16.867 -2.638 -27.912 1.00 0.00 C ATOM 444 OD1 ASP A 196 -16.910 -1.743 -27.034 1.00 0.00 O ATOM 445 OD2 ASP A 196 -17.857 -3.310 -28.288 1.00 0.00 O ATOM 0 H ASP A 196 -15.232 -2.576 -31.437 1.00 0.00 H new ATOM 0 HA ASP A 196 -15.261 -0.880 -29.050 1.00 0.00 H new ATOM 0 HB2 ASP A 196 -15.559 -3.898 -29.071 1.00 0.00 H new ATOM 0 HB3 ASP A 196 -14.766 -3.079 -27.739 1.00 0.00 H new ATOM 450 N PRO A 197 -12.682 -1.291 -28.839 1.00 0.00 N ATOM 451 CA PRO A 197 -11.228 -1.254 -29.013 1.00 0.00 C ATOM 452 C PRO A 197 -10.586 -2.641 -28.955 1.00 0.00 C ATOM 453 O PRO A 197 -9.763 -3.007 -29.796 1.00 0.00 O ATOM 454 CB PRO A 197 -10.689 -0.370 -27.877 1.00 0.00 C ATOM 455 CG PRO A 197 -11.811 -0.312 -26.841 1.00 0.00 C ATOM 456 CD PRO A 197 -13.080 -0.538 -27.655 1.00 0.00 C ATOM 0 HA PRO A 197 -10.983 -0.861 -30.000 1.00 0.00 H new ATOM 0 HB2 PRO A 197 -9.780 -0.792 -27.448 1.00 0.00 H new ATOM 0 HB3 PRO A 197 -10.438 0.627 -28.240 1.00 0.00 H new ATOM 0 HG2 PRO A 197 -11.687 -1.078 -26.075 1.00 0.00 H new ATOM 0 HG3 PRO A 197 -11.832 0.650 -26.329 1.00 0.00 H new ATOM 0 HD2 PRO A 197 -13.820 -1.089 -27.075 1.00 0.00 H new ATOM 0 HD3 PRO A 197 -13.536 0.412 -27.934 1.00 0.00 H new ATOM 464 N VAL A 198 -10.976 -3.424 -27.947 1.00 0.00 N ATOM 465 CA VAL A 198 -10.459 -4.776 -27.712 1.00 0.00 C ATOM 466 C VAL A 198 -10.988 -5.745 -28.770 1.00 0.00 C ATOM 467 O VAL A 198 -10.231 -6.585 -29.243 1.00 0.00 O ATOM 468 CB VAL A 198 -10.768 -5.213 -26.268 1.00 0.00 C ATOM 469 CG1 VAL A 198 -10.261 -6.627 -25.959 1.00 0.00 C ATOM 470 CG2 VAL A 198 -10.089 -4.243 -25.283 1.00 0.00 C ATOM 0 H VAL A 198 -11.671 -3.133 -27.259 1.00 0.00 H new ATOM 0 HA VAL A 198 -9.374 -4.781 -27.815 1.00 0.00 H new ATOM 0 HB VAL A 198 -11.853 -5.204 -26.160 1.00 0.00 H new ATOM 0 HG11 VAL A 198 -10.505 -6.884 -24.928 1.00 0.00 H new ATOM 0 HG12 VAL A 198 -10.736 -7.339 -26.633 1.00 0.00 H new ATOM 0 HG13 VAL A 198 -9.180 -6.664 -26.096 1.00 0.00 H new ATOM 0 HG21 VAL A 198 -10.307 -4.551 -24.260 1.00 0.00 H new ATOM 0 HG22 VAL A 198 -9.011 -4.256 -25.444 1.00 0.00 H new ATOM 0 HG23 VAL A 198 -10.468 -3.234 -25.446 1.00 0.00 H new ATOM 480 N MET A 199 -12.240 -5.595 -29.220 1.00 0.00 N ATOM 481 CA MET A 199 -12.817 -6.407 -30.305 1.00 0.00 C ATOM 482 C MET A 199 -12.005 -6.246 -31.601 1.00 0.00 C ATOM 483 O MET A 199 -11.643 -7.239 -32.235 1.00 0.00 O ATOM 484 CB MET A 199 -14.280 -5.986 -30.513 1.00 0.00 C ATOM 485 CG MET A 199 -15.027 -6.827 -31.552 1.00 0.00 C ATOM 486 SD MET A 199 -16.688 -6.186 -31.903 1.00 0.00 S ATOM 487 CE MET A 199 -17.269 -7.463 -33.053 1.00 0.00 C ATOM 0 H MET A 199 -12.887 -4.904 -28.841 1.00 0.00 H new ATOM 0 HA MET A 199 -12.780 -7.461 -30.031 1.00 0.00 H new ATOM 0 HB2 MET A 199 -14.806 -6.053 -29.560 1.00 0.00 H new ATOM 0 HB3 MET A 199 -14.307 -4.940 -30.819 1.00 0.00 H new ATOM 0 HG2 MET A 199 -14.449 -6.854 -32.476 1.00 0.00 H new ATOM 0 HG3 MET A 199 -15.106 -7.854 -31.195 1.00 0.00 H new ATOM 0 HE1 MET A 199 -18.284 -7.228 -33.375 1.00 0.00 H new ATOM 0 HE2 MET A 199 -16.611 -7.497 -33.922 1.00 0.00 H new ATOM 0 HE3 MET A 199 -17.261 -8.432 -32.554 1.00 0.00 H new ATOM 497 N ALA A 200 -11.674 -5.000 -31.962 1.00 0.00 N ATOM 498 CA ALA A 200 -10.836 -4.691 -33.118 1.00 0.00 C ATOM 499 C ALA A 200 -9.437 -5.313 -32.972 1.00 0.00 C ATOM 500 O ALA A 200 -8.975 -6.043 -33.852 1.00 0.00 O ATOM 501 CB ALA A 200 -10.736 -3.165 -33.250 1.00 0.00 C ATOM 0 H ALA A 200 -11.985 -4.173 -31.452 1.00 0.00 H new ATOM 0 HA ALA A 200 -11.286 -5.115 -34.016 1.00 0.00 H new ATOM 0 HB1 ALA A 200 -10.113 -2.914 -34.109 1.00 0.00 H new ATOM 0 HB2 ALA A 200 -11.732 -2.746 -33.389 1.00 0.00 H new ATOM 0 HB3 ALA A 200 -10.291 -2.750 -32.346 1.00 0.00 H new ATOM 507 N GLN A 201 -8.766 -5.047 -31.844 1.00 0.00 N ATOM 508 CA GLN A 201 -7.419 -5.552 -31.582 1.00 0.00 C ATOM 509 C GLN A 201 -7.342 -7.091 -31.575 1.00 0.00 C ATOM 510 O GLN A 201 -6.393 -7.655 -32.126 1.00 0.00 O ATOM 511 CB GLN A 201 -6.897 -4.949 -30.264 1.00 0.00 C ATOM 512 CG GLN A 201 -5.468 -5.381 -29.885 1.00 0.00 C ATOM 513 CD GLN A 201 -4.412 -4.976 -30.915 1.00 0.00 C ATOM 514 OE1 GLN A 201 -3.790 -3.925 -30.831 1.00 0.00 O ATOM 515 NE2 GLN A 201 -4.172 -5.784 -31.928 1.00 0.00 N ATOM 0 H GLN A 201 -9.145 -4.475 -31.089 1.00 0.00 H new ATOM 0 HA GLN A 201 -6.776 -5.236 -32.404 1.00 0.00 H new ATOM 0 HB2 GLN A 201 -6.926 -3.862 -30.340 1.00 0.00 H new ATOM 0 HB3 GLN A 201 -7.574 -5.230 -29.457 1.00 0.00 H new ATOM 0 HG2 GLN A 201 -5.209 -4.944 -28.921 1.00 0.00 H new ATOM 0 HG3 GLN A 201 -5.446 -6.464 -29.761 1.00 0.00 H new ATOM 0 HE21 GLN A 201 -4.682 -6.663 -32.011 1.00 0.00 H new ATOM 0 HE22 GLN A 201 -3.476 -5.530 -32.629 1.00 0.00 H new ATOM 524 N GLN A 202 -8.328 -7.773 -30.980 1.00 0.00 N ATOM 525 CA GLN A 202 -8.401 -9.237 -30.916 1.00 0.00 C ATOM 526 C GLN A 202 -8.500 -9.865 -32.312 1.00 0.00 C ATOM 527 O GLN A 202 -7.895 -10.912 -32.548 1.00 0.00 O ATOM 528 CB GLN A 202 -9.585 -9.677 -30.035 1.00 0.00 C ATOM 529 CG GLN A 202 -9.278 -9.551 -28.532 1.00 0.00 C ATOM 530 CD GLN A 202 -8.226 -10.549 -28.041 1.00 0.00 C ATOM 531 OE1 GLN A 202 -8.279 -11.743 -28.305 1.00 0.00 O ATOM 532 NE2 GLN A 202 -7.224 -10.104 -27.311 1.00 0.00 N ATOM 0 H GLN A 202 -9.113 -7.313 -30.520 1.00 0.00 H new ATOM 0 HA GLN A 202 -7.475 -9.595 -30.465 1.00 0.00 H new ATOM 0 HB2 GLN A 202 -10.459 -9.071 -30.276 1.00 0.00 H new ATOM 0 HB3 GLN A 202 -9.841 -10.711 -30.265 1.00 0.00 H new ATOM 0 HG2 GLN A 202 -8.933 -8.538 -28.323 1.00 0.00 H new ATOM 0 HG3 GLN A 202 -10.199 -9.697 -27.967 1.00 0.00 H new ATOM 0 HE21 GLN A 202 -7.162 -9.112 -27.080 1.00 0.00 H new ATOM 0 HE22 GLN A 202 -6.510 -10.751 -26.976 1.00 0.00 H new ATOM 541 N HIS A 203 -9.202 -9.223 -33.253 1.00 0.00 N ATOM 542 CA HIS A 203 -9.272 -9.710 -34.632 1.00 0.00 C ATOM 543 C HIS A 203 -7.891 -9.625 -35.303 1.00 0.00 C ATOM 544 O HIS A 203 -7.366 -10.641 -35.757 1.00 0.00 O ATOM 545 CB HIS A 203 -10.330 -8.934 -35.432 1.00 0.00 C ATOM 546 CG HIS A 203 -10.482 -9.454 -36.844 1.00 0.00 C ATOM 547 ND1 HIS A 203 -11.357 -10.431 -37.269 1.00 0.00 N ATOM 548 CD2 HIS A 203 -9.741 -9.082 -37.937 1.00 0.00 C ATOM 549 CE1 HIS A 203 -11.134 -10.649 -38.579 1.00 0.00 C ATOM 550 NE2 HIS A 203 -10.146 -9.857 -39.030 1.00 0.00 N ATOM 0 H HIS A 203 -9.729 -8.366 -33.083 1.00 0.00 H new ATOM 0 HA HIS A 203 -9.574 -10.757 -34.614 1.00 0.00 H new ATOM 0 HB2 HIS A 203 -11.289 -8.999 -34.919 1.00 0.00 H new ATOM 0 HB3 HIS A 203 -10.056 -7.879 -35.464 1.00 0.00 H new ATOM 0 HD1 HIS A 203 -12.052 -10.906 -36.692 1.00 0.00 H new ATOM 0 HD2 HIS A 203 -8.975 -8.321 -37.952 1.00 0.00 H new ATOM 0 HE1 HIS A 203 -11.675 -11.362 -39.184 1.00 0.00 H new ATOM 558 N TYR A 204 -7.276 -8.435 -35.331 1.00 0.00 N ATOM 559 CA TYR A 204 -5.971 -8.191 -35.969 1.00 0.00 C ATOM 560 C TYR A 204 -4.793 -9.027 -35.427 1.00 0.00 C ATOM 561 O TYR A 204 -3.786 -9.179 -36.124 1.00 0.00 O ATOM 562 CB TYR A 204 -5.639 -6.690 -35.903 1.00 0.00 C ATOM 563 CG TYR A 204 -6.685 -5.748 -36.486 1.00 0.00 C ATOM 564 CD1 TYR A 204 -7.337 -6.057 -37.698 1.00 0.00 C ATOM 565 CD2 TYR A 204 -6.994 -4.545 -35.818 1.00 0.00 C ATOM 566 CE1 TYR A 204 -8.321 -5.194 -38.216 1.00 0.00 C ATOM 567 CE2 TYR A 204 -7.966 -3.669 -36.342 1.00 0.00 C ATOM 568 CZ TYR A 204 -8.640 -3.997 -37.540 1.00 0.00 C ATOM 569 OH TYR A 204 -9.579 -3.156 -38.055 1.00 0.00 O ATOM 0 H TYR A 204 -7.676 -7.599 -34.904 1.00 0.00 H new ATOM 0 HA TYR A 204 -6.087 -8.525 -37.000 1.00 0.00 H new ATOM 0 HB2 TYR A 204 -5.477 -6.420 -34.860 1.00 0.00 H new ATOM 0 HB3 TYR A 204 -4.697 -6.523 -36.426 1.00 0.00 H new ATOM 0 HD1 TYR A 204 -7.080 -6.960 -38.231 1.00 0.00 H new ATOM 0 HD2 TYR A 204 -6.483 -4.294 -34.900 1.00 0.00 H new ATOM 0 HE1 TYR A 204 -8.833 -5.448 -39.132 1.00 0.00 H new ATOM 0 HE2 TYR A 204 -8.196 -2.747 -35.828 1.00 0.00 H new ATOM 0 HH TYR A 204 -10.470 -3.547 -37.934 1.00 0.00 H new ATOM 579 N VAL A 205 -4.901 -9.581 -34.212 1.00 0.00 N ATOM 580 CA VAL A 205 -3.860 -10.418 -33.576 1.00 0.00 C ATOM 581 C VAL A 205 -4.222 -11.915 -33.534 1.00 0.00 C ATOM 582 O VAL A 205 -3.382 -12.748 -33.188 1.00 0.00 O ATOM 583 CB VAL A 205 -3.497 -9.839 -32.189 1.00 0.00 C ATOM 584 CG1 VAL A 205 -4.485 -10.238 -31.088 1.00 0.00 C ATOM 585 CG2 VAL A 205 -2.076 -10.205 -31.746 1.00 0.00 C ATOM 0 H VAL A 205 -5.728 -9.461 -33.628 1.00 0.00 H new ATOM 0 HA VAL A 205 -2.969 -10.378 -34.202 1.00 0.00 H new ATOM 0 HB VAL A 205 -3.556 -8.759 -32.326 1.00 0.00 H new ATOM 0 HG11 VAL A 205 -4.171 -9.799 -30.141 1.00 0.00 H new ATOM 0 HG12 VAL A 205 -5.481 -9.876 -31.344 1.00 0.00 H new ATOM 0 HG13 VAL A 205 -4.507 -11.324 -30.995 1.00 0.00 H new ATOM 0 HG21 VAL A 205 -1.877 -9.771 -30.766 1.00 0.00 H new ATOM 0 HG22 VAL A 205 -1.981 -11.289 -31.689 1.00 0.00 H new ATOM 0 HG23 VAL A 205 -1.358 -9.815 -32.468 1.00 0.00 H new ATOM 595 N GLY A 206 -5.454 -12.284 -33.905 1.00 0.00 N ATOM 596 CA GLY A 206 -5.932 -13.670 -33.911 1.00 0.00 C ATOM 597 C GLY A 206 -5.490 -14.465 -35.145 1.00 0.00 C ATOM 598 O GLY A 206 -5.344 -13.916 -36.242 1.00 0.00 O ATOM 0 H GLY A 206 -6.159 -11.615 -34.215 1.00 0.00 H new ATOM 0 HA2 GLY A 206 -5.570 -14.174 -33.015 1.00 0.00 H new ATOM 0 HA3 GLY A 206 -7.021 -13.671 -33.859 1.00 0.00 H new ATOM 602 N LYS A 207 -5.293 -15.781 -34.981 1.00 0.00 N ATOM 603 CA LYS A 207 -4.849 -16.698 -36.053 1.00 0.00 C ATOM 604 C LYS A 207 -5.717 -16.657 -37.318 1.00 0.00 C ATOM 605 O LYS A 207 -5.188 -16.771 -38.423 1.00 0.00 O ATOM 606 CB LYS A 207 -4.685 -18.129 -35.500 1.00 0.00 C ATOM 607 CG LYS A 207 -6.002 -18.811 -35.076 1.00 0.00 C ATOM 608 CD LYS A 207 -5.792 -20.230 -34.520 1.00 0.00 C ATOM 609 CE LYS A 207 -4.997 -20.286 -33.207 1.00 0.00 C ATOM 610 NZ LYS A 207 -5.729 -19.648 -32.090 1.00 0.00 N ATOM 0 H LYS A 207 -5.439 -16.250 -34.087 1.00 0.00 H new ATOM 0 HA LYS A 207 -3.875 -16.338 -36.385 1.00 0.00 H new ATOM 0 HB2 LYS A 207 -4.201 -18.744 -36.259 1.00 0.00 H new ATOM 0 HB3 LYS A 207 -4.015 -18.097 -34.641 1.00 0.00 H new ATOM 0 HG2 LYS A 207 -6.494 -18.200 -34.320 1.00 0.00 H new ATOM 0 HG3 LYS A 207 -6.673 -18.858 -35.934 1.00 0.00 H new ATOM 0 HD2 LYS A 207 -6.766 -20.692 -34.361 1.00 0.00 H new ATOM 0 HD3 LYS A 207 -5.274 -20.828 -35.270 1.00 0.00 H new ATOM 0 HE2 LYS A 207 -4.785 -21.325 -32.955 1.00 0.00 H new ATOM 0 HE3 LYS A 207 -4.037 -19.788 -33.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 -5.174 -19.737 -31.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 -5.880 -18.641 -32.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 -6.649 -20.117 -31.965 1.00 0.00 H new ATOM 624 N LYS A 208 -7.034 -16.456 -37.171 1.00 0.00 N ATOM 625 CA LYS A 208 -7.996 -16.372 -38.287 1.00 0.00 C ATOM 626 C LYS A 208 -7.684 -15.216 -39.243 1.00 0.00 C ATOM 627 O LYS A 208 -7.691 -15.423 -40.454 1.00 0.00 O ATOM 628 CB LYS A 208 -9.435 -16.281 -37.748 1.00 0.00 C ATOM 629 CG LYS A 208 -9.856 -17.582 -37.040 1.00 0.00 C ATOM 630 CD LYS A 208 -11.331 -17.589 -36.613 1.00 0.00 C ATOM 631 CE LYS A 208 -11.631 -16.544 -35.532 1.00 0.00 C ATOM 632 NZ LYS A 208 -13.041 -16.621 -35.096 1.00 0.00 N ATOM 0 H LYS A 208 -7.472 -16.345 -36.257 1.00 0.00 H new ATOM 0 HA LYS A 208 -7.900 -17.288 -38.871 1.00 0.00 H new ATOM 0 HB2 LYS A 208 -9.512 -15.446 -37.052 1.00 0.00 H new ATOM 0 HB3 LYS A 208 -10.120 -16.075 -38.570 1.00 0.00 H new ATOM 0 HG2 LYS A 208 -9.673 -18.426 -37.706 1.00 0.00 H new ATOM 0 HG3 LYS A 208 -9.229 -17.728 -36.160 1.00 0.00 H new ATOM 0 HD2 LYS A 208 -11.959 -17.398 -37.483 1.00 0.00 H new ATOM 0 HD3 LYS A 208 -11.594 -18.579 -36.241 1.00 0.00 H new ATOM 0 HE2 LYS A 208 -10.973 -16.701 -34.677 1.00 0.00 H new ATOM 0 HE3 LYS A 208 -11.420 -15.546 -35.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 208 -13.218 -15.903 -34.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 208 -13.666 -16.448 -35.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 208 -13.233 -17.566 -34.707 1.00 0.00 H new ATOM 646 N HIS A 209 -7.346 -14.033 -38.718 1.00 0.00 N ATOM 647 CA HIS A 209 -6.959 -12.869 -39.531 1.00 0.00 C ATOM 648 C HIS A 209 -5.688 -13.154 -40.334 1.00 0.00 C ATOM 649 O HIS A 209 -5.655 -12.947 -41.545 1.00 0.00 O ATOM 650 CB HIS A 209 -6.769 -11.642 -38.631 1.00 0.00 C ATOM 651 CG HIS A 209 -6.237 -10.423 -39.355 1.00 0.00 C ATOM 652 ND1 HIS A 209 -6.986 -9.558 -40.161 1.00 0.00 N ATOM 653 CD2 HIS A 209 -4.936 -10.002 -39.348 1.00 0.00 C ATOM 654 CE1 HIS A 209 -6.118 -8.646 -40.627 1.00 0.00 C ATOM 655 NE2 HIS A 209 -4.881 -8.885 -40.154 1.00 0.00 N ATOM 0 H HIS A 209 -7.332 -13.853 -37.714 1.00 0.00 H new ATOM 0 HA HIS A 209 -7.759 -12.664 -40.242 1.00 0.00 H new ATOM 0 HB2 HIS A 209 -7.725 -11.390 -38.171 1.00 0.00 H new ATOM 0 HB3 HIS A 209 -6.084 -11.899 -37.823 1.00 0.00 H new ATOM 0 HD2 HIS A 209 -4.113 -10.456 -38.816 1.00 0.00 H new ATOM 0 HE1 HIS A 209 -6.377 -7.833 -41.290 1.00 0.00 H new ATOM 0 HE2 HIS A 209 -4.047 -8.335 -40.357 1.00 0.00 H new ATOM 663 N ARG A 210 -4.645 -13.689 -39.680 1.00 0.00 N ATOM 664 CA ARG A 210 -3.377 -14.043 -40.343 1.00 0.00 C ATOM 665 C ARG A 210 -3.586 -15.110 -41.426 1.00 0.00 C ATOM 666 O ARG A 210 -3.040 -14.981 -42.524 1.00 0.00 O ATOM 667 CB ARG A 210 -2.308 -14.461 -39.313 1.00 0.00 C ATOM 668 CG ARG A 210 -1.719 -13.275 -38.520 1.00 0.00 C ATOM 669 CD ARG A 210 -2.563 -12.831 -37.312 1.00 0.00 C ATOM 670 NE ARG A 210 -2.065 -11.582 -36.708 1.00 0.00 N ATOM 671 CZ ARG A 210 -0.977 -11.414 -35.976 1.00 0.00 C ATOM 672 NH1 ARG A 210 -0.167 -12.390 -35.658 1.00 0.00 N ATOM 673 NH2 ARG A 210 -0.678 -10.222 -35.539 1.00 0.00 N ATOM 0 H ARG A 210 -4.655 -13.888 -38.680 1.00 0.00 H new ATOM 0 HA ARG A 210 -3.005 -13.152 -40.849 1.00 0.00 H new ATOM 0 HB2 ARG A 210 -2.747 -15.173 -38.614 1.00 0.00 H new ATOM 0 HB3 ARG A 210 -1.500 -14.979 -39.830 1.00 0.00 H new ATOM 0 HG2 ARG A 210 -0.723 -13.547 -38.171 1.00 0.00 H new ATOM 0 HG3 ARG A 210 -1.599 -12.427 -39.195 1.00 0.00 H new ATOM 0 HD2 ARG A 210 -3.597 -12.692 -37.626 1.00 0.00 H new ATOM 0 HD3 ARG A 210 -2.561 -13.621 -36.561 1.00 0.00 H new ATOM 0 HE ARG A 210 -2.627 -10.747 -36.875 1.00 0.00 H new ATOM 0 HH11 ARG A 210 -0.361 -13.339 -35.978 1.00 0.00 H new ATOM 0 HH12 ARG A 210 0.659 -12.203 -35.090 1.00 0.00 H new ATOM 0 HH21 ARG A 210 -1.281 -9.431 -35.763 1.00 0.00 H new ATOM 0 HH22 ARG A 210 0.159 -10.081 -34.973 1.00 0.00 H new ATOM 687 N LYS A 211 -4.412 -16.129 -41.156 1.00 0.00 N ATOM 688 CA LYS A 211 -4.768 -17.193 -42.111 1.00 0.00 C ATOM 689 C LYS A 211 -5.516 -16.637 -43.329 1.00 0.00 C ATOM 690 O LYS A 211 -5.111 -16.903 -44.459 1.00 0.00 O ATOM 691 CB LYS A 211 -5.578 -18.276 -41.375 1.00 0.00 C ATOM 692 CG LYS A 211 -5.892 -19.488 -42.270 1.00 0.00 C ATOM 693 CD LYS A 211 -6.682 -20.583 -41.536 1.00 0.00 C ATOM 694 CE LYS A 211 -5.867 -21.236 -40.412 1.00 0.00 C ATOM 695 NZ LYS A 211 -6.629 -22.324 -39.765 1.00 0.00 N ATOM 0 H LYS A 211 -4.863 -16.241 -40.248 1.00 0.00 H new ATOM 0 HA LYS A 211 -3.856 -17.643 -42.503 1.00 0.00 H new ATOM 0 HB2 LYS A 211 -5.021 -18.610 -40.500 1.00 0.00 H new ATOM 0 HB3 LYS A 211 -6.511 -17.844 -41.013 1.00 0.00 H new ATOM 0 HG2 LYS A 211 -6.462 -19.155 -43.137 1.00 0.00 H new ATOM 0 HG3 LYS A 211 -4.959 -19.909 -42.644 1.00 0.00 H new ATOM 0 HD2 LYS A 211 -7.592 -20.153 -41.119 1.00 0.00 H new ATOM 0 HD3 LYS A 211 -6.989 -21.347 -42.250 1.00 0.00 H new ATOM 0 HE2 LYS A 211 -4.935 -21.631 -40.817 1.00 0.00 H new ATOM 0 HE3 LYS A 211 -5.599 -20.485 -39.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 211 -6.055 -22.748 -39.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 211 -7.506 -21.940 -39.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 211 -6.863 -23.051 -40.471 1.00 0.00 H new ATOM 709 N GLN A 212 -6.568 -15.843 -43.121 1.00 0.00 N ATOM 710 CA GLN A 212 -7.347 -15.227 -44.206 1.00 0.00 C ATOM 711 C GLN A 212 -6.519 -14.221 -45.019 1.00 0.00 C ATOM 712 O GLN A 212 -6.605 -14.213 -46.246 1.00 0.00 O ATOM 713 CB GLN A 212 -8.607 -14.559 -43.635 1.00 0.00 C ATOM 714 CG GLN A 212 -9.668 -15.559 -43.147 1.00 0.00 C ATOM 715 CD GLN A 212 -10.339 -16.307 -44.296 1.00 0.00 C ATOM 716 OE1 GLN A 212 -9.914 -17.376 -44.715 1.00 0.00 O ATOM 717 NE2 GLN A 212 -11.408 -15.780 -44.857 1.00 0.00 N ATOM 0 H GLN A 212 -6.909 -15.605 -42.189 1.00 0.00 H new ATOM 0 HA GLN A 212 -7.641 -16.021 -44.892 1.00 0.00 H new ATOM 0 HB2 GLN A 212 -8.321 -13.912 -42.805 1.00 0.00 H new ATOM 0 HB3 GLN A 212 -9.047 -13.920 -44.400 1.00 0.00 H new ATOM 0 HG2 GLN A 212 -9.202 -16.278 -42.473 1.00 0.00 H new ATOM 0 HG3 GLN A 212 -10.426 -15.027 -42.572 1.00 0.00 H new ATOM 0 HE21 GLN A 212 -11.775 -14.890 -44.520 1.00 0.00 H new ATOM 0 HE22 GLN A 212 -11.869 -16.262 -45.629 1.00 0.00 H new ATOM 726 N GLU A 213 -5.672 -13.415 -44.372 1.00 0.00 N ATOM 727 CA GLU A 213 -4.755 -12.489 -45.047 1.00 0.00 C ATOM 728 C GLU A 213 -3.787 -13.272 -45.951 1.00 0.00 C ATOM 729 O GLU A 213 -3.615 -12.931 -47.121 1.00 0.00 O ATOM 730 CB GLU A 213 -4.016 -11.655 -43.987 1.00 0.00 C ATOM 731 CG GLU A 213 -3.021 -10.649 -44.575 1.00 0.00 C ATOM 732 CD GLU A 213 -2.421 -9.776 -43.466 1.00 0.00 C ATOM 733 OE1 GLU A 213 -3.009 -8.708 -43.168 1.00 0.00 O ATOM 734 OE2 GLU A 213 -1.370 -10.174 -42.909 1.00 0.00 O ATOM 0 H GLU A 213 -5.602 -13.386 -43.355 1.00 0.00 H new ATOM 0 HA GLU A 213 -5.310 -11.805 -45.690 1.00 0.00 H new ATOM 0 HB2 GLU A 213 -4.749 -11.118 -43.385 1.00 0.00 H new ATOM 0 HB3 GLU A 213 -3.484 -12.328 -43.315 1.00 0.00 H new ATOM 0 HG2 GLU A 213 -2.226 -11.179 -45.099 1.00 0.00 H new ATOM 0 HG3 GLU A 213 -3.523 -10.020 -45.310 1.00 0.00 H new ATOM 741 N THR A 214 -3.208 -14.367 -45.441 1.00 0.00 N ATOM 742 CA THR A 214 -2.328 -15.260 -46.216 1.00 0.00 C ATOM 743 C THR A 214 -3.085 -15.899 -47.387 1.00 0.00 C ATOM 744 O THR A 214 -2.565 -15.933 -48.502 1.00 0.00 O ATOM 745 CB THR A 214 -1.705 -16.349 -45.323 1.00 0.00 C ATOM 746 OG1 THR A 214 -0.972 -15.756 -44.271 1.00 0.00 O ATOM 747 CG2 THR A 214 -0.718 -17.243 -46.078 1.00 0.00 C ATOM 0 H THR A 214 -3.336 -14.662 -44.473 1.00 0.00 H new ATOM 0 HA THR A 214 -1.520 -14.650 -46.619 1.00 0.00 H new ATOM 0 HB THR A 214 -2.541 -16.947 -44.961 1.00 0.00 H new ATOM 0 HG1 THR A 214 -1.590 -15.436 -43.582 1.00 0.00 H new ATOM 0 HG21 THR A 214 -0.311 -17.991 -45.398 1.00 0.00 H new ATOM 0 HG22 THR A 214 -1.233 -17.741 -46.899 1.00 0.00 H new ATOM 0 HG23 THR A 214 0.094 -16.634 -46.475 1.00 0.00 H new ATOM 755 N LYS A 215 -4.327 -16.364 -47.171 1.00 0.00 N ATOM 756 CA LYS A 215 -5.185 -16.951 -48.216 1.00 0.00 C ATOM 757 C LYS A 215 -5.474 -15.946 -49.336 1.00 0.00 C ATOM 758 O LYS A 215 -5.347 -16.289 -50.510 1.00 0.00 O ATOM 759 CB LYS A 215 -6.475 -17.485 -47.566 1.00 0.00 C ATOM 760 CG LYS A 215 -7.360 -18.261 -48.553 1.00 0.00 C ATOM 761 CD LYS A 215 -8.617 -18.789 -47.850 1.00 0.00 C ATOM 762 CE LYS A 215 -9.492 -19.566 -48.837 1.00 0.00 C ATOM 763 NZ LYS A 215 -10.712 -20.078 -48.178 1.00 0.00 N ATOM 0 H LYS A 215 -4.770 -16.343 -46.253 1.00 0.00 H new ATOM 0 HA LYS A 215 -4.662 -17.784 -48.687 1.00 0.00 H new ATOM 0 HB2 LYS A 215 -6.214 -18.135 -46.731 1.00 0.00 H new ATOM 0 HB3 LYS A 215 -7.042 -16.650 -47.155 1.00 0.00 H new ATOM 0 HG2 LYS A 215 -7.645 -17.613 -49.382 1.00 0.00 H new ATOM 0 HG3 LYS A 215 -6.798 -19.093 -48.978 1.00 0.00 H new ATOM 0 HD2 LYS A 215 -8.333 -19.435 -47.019 1.00 0.00 H new ATOM 0 HD3 LYS A 215 -9.182 -17.958 -47.429 1.00 0.00 H new ATOM 0 HE2 LYS A 215 -9.769 -18.919 -49.670 1.00 0.00 H new ATOM 0 HE3 LYS A 215 -8.924 -20.398 -49.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 215 -11.287 -20.601 -48.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 215 -10.445 -20.713 -47.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 215 -11.264 -19.281 -47.801 1.00 0.00 H new ATOM 777 N LEU A 216 -5.814 -14.702 -48.991 1.00 0.00 N ATOM 778 CA LEU A 216 -6.065 -13.623 -49.953 1.00 0.00 C ATOM 779 C LEU A 216 -4.791 -13.271 -50.738 1.00 0.00 C ATOM 780 O LEU A 216 -4.838 -13.166 -51.964 1.00 0.00 O ATOM 781 CB LEU A 216 -6.673 -12.426 -49.198 1.00 0.00 C ATOM 782 CG LEU A 216 -7.133 -11.271 -50.113 1.00 0.00 C ATOM 783 CD1 LEU A 216 -8.320 -10.554 -49.473 1.00 0.00 C ATOM 784 CD2 LEU A 216 -6.036 -10.225 -50.339 1.00 0.00 C ATOM 0 H LEU A 216 -5.925 -14.410 -48.020 1.00 0.00 H new ATOM 0 HA LEU A 216 -6.783 -13.944 -50.707 1.00 0.00 H new ATOM 0 HB2 LEU A 216 -7.525 -12.774 -48.614 1.00 0.00 H new ATOM 0 HB3 LEU A 216 -5.936 -12.044 -48.491 1.00 0.00 H new ATOM 0 HG LEU A 216 -7.395 -11.719 -51.072 1.00 0.00 H new ATOM 0 HD11 LEU A 216 -8.644 -9.739 -50.120 1.00 0.00 H new ATOM 0 HD12 LEU A 216 -9.141 -11.258 -49.338 1.00 0.00 H new ATOM 0 HD13 LEU A 216 -8.023 -10.153 -48.504 1.00 0.00 H new ATOM 0 HD21 LEU A 216 -6.414 -9.436 -50.989 1.00 0.00 H new ATOM 0 HD22 LEU A 216 -5.740 -9.796 -49.382 1.00 0.00 H new ATOM 0 HD23 LEU A 216 -5.173 -10.698 -50.807 1.00 0.00 H new ATOM 796 N LYS A 217 -3.643 -13.141 -50.056 1.00 0.00 N ATOM 797 CA LYS A 217 -2.339 -12.882 -50.696 1.00 0.00 C ATOM 798 C LYS A 217 -1.980 -13.998 -51.682 1.00 0.00 C ATOM 799 O LYS A 217 -1.603 -13.704 -52.815 1.00 0.00 O ATOM 800 CB LYS A 217 -1.249 -12.697 -49.627 1.00 0.00 C ATOM 801 CG LYS A 217 -1.371 -11.334 -48.923 1.00 0.00 C ATOM 802 CD LYS A 217 -0.523 -11.206 -47.646 1.00 0.00 C ATOM 803 CE LYS A 217 0.994 -11.225 -47.879 1.00 0.00 C ATOM 804 NZ LYS A 217 1.527 -12.598 -48.021 1.00 0.00 N ATOM 0 H LYS A 217 -3.590 -13.213 -49.040 1.00 0.00 H new ATOM 0 HA LYS A 217 -2.409 -11.957 -51.269 1.00 0.00 H new ATOM 0 HB2 LYS A 217 -1.323 -13.496 -48.889 1.00 0.00 H new ATOM 0 HB3 LYS A 217 -0.266 -12.781 -50.091 1.00 0.00 H new ATOM 0 HG2 LYS A 217 -1.078 -10.550 -49.621 1.00 0.00 H new ATOM 0 HG3 LYS A 217 -2.417 -11.161 -48.670 1.00 0.00 H new ATOM 0 HD2 LYS A 217 -0.788 -10.277 -47.142 1.00 0.00 H new ATOM 0 HD3 LYS A 217 -0.783 -12.021 -46.970 1.00 0.00 H new ATOM 0 HE2 LYS A 217 1.228 -10.653 -48.777 1.00 0.00 H new ATOM 0 HE3 LYS A 217 1.493 -10.729 -47.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 217 2.462 -12.656 -47.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 217 0.879 -13.271 -47.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 217 1.615 -12.834 -49.030 1.00 0.00 H new ATOM 818 N LEU A 218 -2.160 -15.264 -51.293 1.00 0.00 N ATOM 819 CA LEU A 218 -1.951 -16.431 -52.158 1.00 0.00 C ATOM 820 C LEU A 218 -2.892 -16.389 -53.375 1.00 0.00 C ATOM 821 O LEU A 218 -2.437 -16.561 -54.504 1.00 0.00 O ATOM 822 CB LEU A 218 -2.145 -17.713 -51.321 1.00 0.00 C ATOM 823 CG LEU A 218 -2.098 -19.032 -52.120 1.00 0.00 C ATOM 824 CD1 LEU A 218 -0.750 -19.259 -52.806 1.00 0.00 C ATOM 825 CD2 LEU A 218 -2.359 -20.208 -51.180 1.00 0.00 C ATOM 0 H LEU A 218 -2.461 -15.512 -50.350 1.00 0.00 H new ATOM 0 HA LEU A 218 -0.935 -16.422 -52.552 1.00 0.00 H new ATOM 0 HB2 LEU A 218 -1.374 -17.745 -50.551 1.00 0.00 H new ATOM 0 HB3 LEU A 218 -3.105 -17.651 -50.808 1.00 0.00 H new ATOM 0 HG LEU A 218 -2.865 -18.961 -52.892 1.00 0.00 H new ATOM 0 HD11 LEU A 218 -0.774 -20.201 -53.353 1.00 0.00 H new ATOM 0 HD12 LEU A 218 -0.553 -18.442 -53.500 1.00 0.00 H new ATOM 0 HD13 LEU A 218 0.039 -19.296 -52.055 1.00 0.00 H new ATOM 0 HD21 LEU A 218 -2.326 -21.140 -51.745 1.00 0.00 H new ATOM 0 HD22 LEU A 218 -1.596 -20.228 -50.402 1.00 0.00 H new ATOM 0 HD23 LEU A 218 -3.342 -20.096 -50.722 1.00 0.00 H new ATOM 837 N MET A 219 -4.186 -16.124 -53.161 1.00 0.00 N ATOM 838 CA MET A 219 -5.192 -16.018 -54.226 1.00 0.00 C ATOM 839 C MET A 219 -4.839 -14.930 -55.257 1.00 0.00 C ATOM 840 O MET A 219 -5.080 -15.118 -56.448 1.00 0.00 O ATOM 841 CB MET A 219 -6.576 -15.784 -53.599 1.00 0.00 C ATOM 842 CG MET A 219 -7.708 -15.846 -54.629 1.00 0.00 C ATOM 843 SD MET A 219 -9.363 -15.669 -53.908 1.00 0.00 S ATOM 844 CE MET A 219 -10.360 -15.801 -55.418 1.00 0.00 C ATOM 0 H MET A 219 -4.570 -15.975 -52.228 1.00 0.00 H new ATOM 0 HA MET A 219 -5.209 -16.957 -54.779 1.00 0.00 H new ATOM 0 HB2 MET A 219 -6.752 -16.532 -52.826 1.00 0.00 H new ATOM 0 HB3 MET A 219 -6.589 -14.810 -53.109 1.00 0.00 H new ATOM 0 HG2 MET A 219 -7.558 -15.059 -55.368 1.00 0.00 H new ATOM 0 HG3 MET A 219 -7.653 -16.797 -55.159 1.00 0.00 H new ATOM 0 HE1 MET A 219 -11.417 -15.713 -55.165 1.00 0.00 H new ATOM 0 HE2 MET A 219 -10.084 -15.003 -56.107 1.00 0.00 H new ATOM 0 HE3 MET A 219 -10.179 -16.766 -55.890 1.00 0.00 H new ATOM 854 N ALA A 220 -4.239 -13.814 -54.827 1.00 0.00 N ATOM 855 CA ALA A 220 -3.789 -12.744 -55.718 1.00 0.00 C ATOM 856 C ALA A 220 -2.478 -13.115 -56.449 1.00 0.00 C ATOM 857 O ALA A 220 -2.381 -12.973 -57.671 1.00 0.00 O ATOM 858 CB ALA A 220 -3.625 -11.465 -54.885 1.00 0.00 C ATOM 0 H ALA A 220 -4.052 -13.629 -53.842 1.00 0.00 H new ATOM 0 HA ALA A 220 -4.533 -12.585 -56.498 1.00 0.00 H new ATOM 0 HB1 ALA A 220 -3.290 -10.652 -55.529 1.00 0.00 H new ATOM 0 HB2 ALA A 220 -4.581 -11.200 -54.434 1.00 0.00 H new ATOM 0 HB3 ALA A 220 -2.888 -11.634 -54.100 1.00 0.00 H new ATOM 864 N ARG A 221 -1.473 -13.615 -55.712 1.00 0.00 N ATOM 865 CA ARG A 221 -0.143 -14.023 -56.213 1.00 0.00 C ATOM 866 C ARG A 221 -0.178 -15.196 -57.202 1.00 0.00 C ATOM 867 O ARG A 221 0.644 -15.249 -58.117 1.00 0.00 O ATOM 868 CB ARG A 221 0.741 -14.323 -54.984 1.00 0.00 C ATOM 869 CG ARG A 221 2.214 -14.666 -55.280 1.00 0.00 C ATOM 870 CD ARG A 221 2.510 -16.167 -55.462 1.00 0.00 C ATOM 871 NE ARG A 221 2.218 -16.957 -54.248 1.00 0.00 N ATOM 872 CZ ARG A 221 2.980 -17.067 -53.171 1.00 0.00 C ATOM 873 NH1 ARG A 221 4.130 -16.457 -53.046 1.00 0.00 N ATOM 874 NH2 ARG A 221 2.594 -17.809 -52.170 1.00 0.00 N ATOM 0 H ARG A 221 -1.566 -13.753 -54.706 1.00 0.00 H new ATOM 0 HA ARG A 221 0.275 -13.206 -56.800 1.00 0.00 H new ATOM 0 HB2 ARG A 221 0.716 -13.457 -54.323 1.00 0.00 H new ATOM 0 HB3 ARG A 221 0.298 -15.155 -54.436 1.00 0.00 H new ATOM 0 HG2 ARG A 221 2.519 -14.139 -56.184 1.00 0.00 H new ATOM 0 HG3 ARG A 221 2.831 -14.286 -54.465 1.00 0.00 H new ATOM 0 HD2 ARG A 221 1.918 -16.552 -56.292 1.00 0.00 H new ATOM 0 HD3 ARG A 221 3.558 -16.296 -55.731 1.00 0.00 H new ATOM 0 HE ARG A 221 1.337 -17.471 -54.239 1.00 0.00 H new ATOM 0 HH11 ARG A 221 4.477 -15.864 -53.800 1.00 0.00 H new ATOM 0 HH12 ARG A 221 4.680 -16.575 -52.195 1.00 0.00 H new ATOM 0 HH21 ARG A 221 1.704 -18.305 -52.216 1.00 0.00 H new ATOM 0 HH22 ARG A 221 3.182 -17.893 -51.341 1.00 0.00 H new ATOM 888 N TYR A 222 -1.115 -16.125 -57.019 1.00 0.00 N ATOM 889 CA TYR A 222 -1.291 -17.350 -57.815 1.00 0.00 C ATOM 890 C TYR A 222 -2.621 -17.366 -58.607 1.00 0.00 C ATOM 891 O TYR A 222 -3.054 -18.408 -59.106 1.00 0.00 O ATOM 892 CB TYR A 222 -1.147 -18.540 -56.845 1.00 0.00 C ATOM 893 CG TYR A 222 -0.886 -19.893 -57.484 1.00 0.00 C ATOM 894 CD1 TYR A 222 0.368 -20.163 -58.067 1.00 0.00 C ATOM 895 CD2 TYR A 222 -1.879 -20.893 -57.460 1.00 0.00 C ATOM 896 CE1 TYR A 222 0.627 -21.427 -58.633 1.00 0.00 C ATOM 897 CE2 TYR A 222 -1.624 -22.158 -58.026 1.00 0.00 C ATOM 898 CZ TYR A 222 -0.369 -22.428 -58.616 1.00 0.00 C ATOM 899 OH TYR A 222 -0.111 -23.648 -59.164 1.00 0.00 O ATOM 0 H TYR A 222 -1.809 -16.045 -56.276 1.00 0.00 H new ATOM 0 HA TYR A 222 -0.529 -17.410 -58.592 1.00 0.00 H new ATOM 0 HB2 TYR A 222 -0.332 -18.323 -56.154 1.00 0.00 H new ATOM 0 HB3 TYR A 222 -2.058 -18.611 -56.251 1.00 0.00 H new ATOM 0 HD1 TYR A 222 1.132 -19.400 -58.080 1.00 0.00 H new ATOM 0 HD2 TYR A 222 -2.838 -20.689 -57.007 1.00 0.00 H new ATOM 0 HE1 TYR A 222 1.589 -21.631 -59.080 1.00 0.00 H new ATOM 0 HE2 TYR A 222 -2.388 -22.921 -58.009 1.00 0.00 H new ATOM 0 HH TYR A 222 -0.899 -24.223 -59.069 1.00 0.00 H new ATOM 909 N GLY A 223 -3.292 -16.213 -58.721 1.00 0.00 N ATOM 910 CA GLY A 223 -4.580 -16.060 -59.409 1.00 0.00 C ATOM 911 C GLY A 223 -4.519 -16.148 -60.941 1.00 0.00 C ATOM 912 O GLY A 223 -3.454 -16.034 -61.558 1.00 0.00 O ATOM 0 H GLY A 223 -2.945 -15.338 -58.327 1.00 0.00 H new ATOM 0 HA2 GLY A 223 -5.262 -16.828 -59.044 1.00 0.00 H new ATOM 0 HA3 GLY A 223 -5.008 -15.096 -59.133 1.00 0.00 H new ATOM 916 N ARG A 224 -5.694 -16.341 -61.555 1.00 0.00 N ATOM 917 CA ARG A 224 -5.890 -16.433 -63.016 1.00 0.00 C ATOM 918 C ARG A 224 -5.634 -15.105 -63.748 1.00 0.00 C ATOM 919 O ARG A 224 -5.725 -14.025 -63.158 1.00 0.00 O ATOM 920 CB ARG A 224 -7.301 -16.982 -63.319 1.00 0.00 C ATOM 921 CG ARG A 224 -8.452 -16.092 -62.812 1.00 0.00 C ATOM 922 CD ARG A 224 -9.814 -16.696 -63.179 1.00 0.00 C ATOM 923 NE ARG A 224 -10.924 -15.893 -62.630 1.00 0.00 N ATOM 924 CZ ARG A 224 -11.536 -16.072 -61.469 1.00 0.00 C ATOM 925 NH1 ARG A 224 -11.217 -17.028 -60.635 1.00 0.00 N ATOM 926 NH2 ARG A 224 -12.505 -15.274 -61.110 1.00 0.00 N ATOM 0 H ARG A 224 -6.566 -16.441 -61.035 1.00 0.00 H new ATOM 0 HA ARG A 224 -5.143 -17.126 -63.401 1.00 0.00 H new ATOM 0 HB2 ARG A 224 -7.404 -17.110 -64.397 1.00 0.00 H new ATOM 0 HB3 ARG A 224 -7.397 -17.971 -62.870 1.00 0.00 H new ATOM 0 HG2 ARG A 224 -8.380 -15.978 -61.730 1.00 0.00 H new ATOM 0 HG3 ARG A 224 -8.364 -15.095 -63.244 1.00 0.00 H new ATOM 0 HD2 ARG A 224 -9.907 -16.755 -64.263 1.00 0.00 H new ATOM 0 HD3 ARG A 224 -9.877 -17.715 -62.798 1.00 0.00 H new ATOM 0 HE ARG A 224 -11.255 -15.118 -63.205 1.00 0.00 H new ATOM 0 HH11 ARG A 224 -10.466 -17.678 -60.867 1.00 0.00 H new ATOM 0 HH12 ARG A 224 -11.719 -17.124 -59.752 1.00 0.00 H new ATOM 0 HH21 ARG A 224 -12.792 -14.512 -61.724 1.00 0.00 H new ATOM 0 HH22 ARG A 224 -12.975 -15.413 -60.216 1.00 0.00 H new ATOM 940 N LEU A 225 -5.355 -15.197 -65.050 1.00 0.00 N ATOM 941 CA LEU A 225 -5.114 -14.068 -65.959 1.00 0.00 C ATOM 942 C LEU A 225 -5.535 -14.479 -67.385 1.00 0.00 C ATOM 943 O LEU A 225 -5.048 -15.484 -67.910 1.00 0.00 O ATOM 944 CB LEU A 225 -3.617 -13.680 -65.871 1.00 0.00 C ATOM 945 CG LEU A 225 -3.201 -12.276 -66.358 1.00 0.00 C ATOM 946 CD1 LEU A 225 -3.470 -12.015 -67.840 1.00 0.00 C ATOM 947 CD2 LEU A 225 -3.859 -11.161 -65.541 1.00 0.00 C ATOM 0 H LEU A 225 -5.287 -16.098 -65.523 1.00 0.00 H new ATOM 0 HA LEU A 225 -5.704 -13.194 -65.682 1.00 0.00 H new ATOM 0 HB2 LEU A 225 -3.308 -13.777 -64.830 1.00 0.00 H new ATOM 0 HB3 LEU A 225 -3.048 -14.413 -66.442 1.00 0.00 H new ATOM 0 HG LEU A 225 -2.121 -12.263 -66.210 1.00 0.00 H new ATOM 0 HD11 LEU A 225 -3.148 -11.006 -68.096 1.00 0.00 H new ATOM 0 HD12 LEU A 225 -2.918 -12.736 -68.443 1.00 0.00 H new ATOM 0 HD13 LEU A 225 -4.537 -12.117 -68.040 1.00 0.00 H new ATOM 0 HD21 LEU A 225 -3.536 -10.192 -65.921 1.00 0.00 H new ATOM 0 HD22 LEU A 225 -4.943 -11.240 -65.624 1.00 0.00 H new ATOM 0 HD23 LEU A 225 -3.568 -11.256 -64.495 1.00 0.00 H new ATOM 959 N ALA A 226 -6.443 -13.718 -68.001 1.00 0.00 N ATOM 960 CA ALA A 226 -6.969 -13.965 -69.349 1.00 0.00 C ATOM 961 C ALA A 226 -7.340 -12.656 -70.082 1.00 0.00 C ATOM 962 O ALA A 226 -7.413 -11.582 -69.476 1.00 0.00 O ATOM 963 CB ALA A 226 -8.185 -14.897 -69.225 1.00 0.00 C ATOM 0 H ALA A 226 -6.845 -12.889 -67.564 1.00 0.00 H new ATOM 0 HA ALA A 226 -6.194 -14.436 -69.953 1.00 0.00 H new ATOM 0 HB1 ALA A 226 -8.594 -15.095 -70.216 1.00 0.00 H new ATOM 0 HB2 ALA A 226 -7.878 -15.836 -68.764 1.00 0.00 H new ATOM 0 HB3 ALA A 226 -8.946 -14.421 -68.607 1.00 0.00 H new ATOM 969 N ASP A 227 -7.592 -12.750 -71.391 1.00 0.00 N ATOM 970 CA ASP A 227 -7.967 -11.631 -72.271 1.00 0.00 C ATOM 971 C ASP A 227 -8.893 -12.087 -73.415 1.00 0.00 C ATOM 972 O ASP A 227 -8.720 -13.171 -73.993 1.00 0.00 O ATOM 973 CB ASP A 227 -6.689 -10.977 -72.828 1.00 0.00 C ATOM 974 CG ASP A 227 -7.002 -9.752 -73.695 1.00 0.00 C ATOM 975 OD1 ASP A 227 -7.212 -8.660 -73.114 1.00 0.00 O ATOM 976 OD2 ASP A 227 -7.055 -9.909 -74.939 1.00 0.00 O ATOM 0 H ASP A 227 -7.539 -13.639 -71.889 1.00 0.00 H new ATOM 0 HA ASP A 227 -8.526 -10.901 -71.686 1.00 0.00 H new ATOM 0 HB2 ASP A 227 -6.043 -10.681 -72.001 1.00 0.00 H new ATOM 0 HB3 ASP A 227 -6.136 -11.707 -73.418 1.00 0.00 H new TER 981 ASP A 227 HETATM 982 ZN ZN A 301 -8.981 -9.484 -40.700 1.00 0.00 ZN