USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 491 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 203 HIS HE2 : A 203 HIS NE2 : A 301 ZNZN :(H bumps) USER MOD NoAdj-H: A 209 HIS HD1 : A 209 HIS ND1 : A 301 ZNZN :(H bumps) USER MOD Set 1.1: A 215 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 219 MET CE :methyl 180:sc= -0.124 (180deg=-0.124) USER MOD Single : A 168 SER OG : rot -32:sc= 0.0576 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 X(o=0,f=0) USER MOD Single : A 177 ASN : amide:sc= 0.0362 K(o=0.036,f=-2.2!) 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 X(o=0,f=0) USER MOD Single : A 199 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 201 GLN : amide:sc= -0.0502 K(o=-0.05,f=-2!) USER MOD Single : A 202 GLN : amide:sc=-0.00231 X(o=-0.0023,f=-0.45) USER MOD Single : A 204 TYR OH : rot -15:sc= 0.0565 USER MOD Single : A 207 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0851) USER MOD Single : A 208 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 211 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0521) USER MOD Single : A 212 GLN : amide:sc= -0.0694 X(o=-0.069,f=-0.14) USER MOD Single : A 214 THR OG1 : rot 82:sc= 0.0487 USER MOD Single : A 217 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 222 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 168 0.418 -13.802 -22.188 1.00 0.00 N ATOM 2 CA SER A 168 -0.007 -15.119 -21.698 1.00 0.00 C ATOM 3 C SER A 168 -0.855 -15.054 -20.414 1.00 0.00 C ATOM 4 O SER A 168 -0.830 -14.065 -19.674 1.00 0.00 O ATOM 5 CB SER A 168 1.221 -16.026 -21.496 1.00 0.00 C ATOM 6 OG SER A 168 2.173 -15.459 -20.602 1.00 0.00 O ATOM 0 HA SER A 168 -0.657 -15.544 -22.463 1.00 0.00 H new ATOM 0 HB2 SER A 168 0.896 -16.993 -21.111 1.00 0.00 H new ATOM 0 HB3 SER A 168 1.696 -16.210 -22.460 1.00 0.00 H new ATOM 0 HG SER A 168 2.157 -14.483 -20.684 1.00 0.00 H new ATOM 12 N THR A 169 -1.602 -16.132 -20.134 1.00 0.00 N ATOM 13 CA THR A 169 -2.472 -16.303 -18.943 1.00 0.00 C ATOM 14 C THR A 169 -3.507 -15.169 -18.752 1.00 0.00 C ATOM 15 O THR A 169 -3.930 -14.861 -17.635 1.00 0.00 O ATOM 16 CB THR A 169 -1.632 -16.571 -17.667 1.00 0.00 C ATOM 17 OG1 THR A 169 -0.464 -17.320 -17.967 1.00 0.00 O ATOM 18 CG2 THR A 169 -2.380 -17.404 -16.619 1.00 0.00 C ATOM 0 H THR A 169 -1.623 -16.945 -20.750 1.00 0.00 H new ATOM 0 HA THR A 169 -3.075 -17.191 -19.132 1.00 0.00 H new ATOM 0 HB THR A 169 -1.404 -15.578 -17.279 1.00 0.00 H new ATOM 0 HG1 THR A 169 0.047 -17.473 -17.145 1.00 0.00 H new ATOM 0 HG21 THR A 169 -1.739 -17.557 -15.751 1.00 0.00 H new ATOM 0 HG22 THR A 169 -3.285 -16.878 -16.314 1.00 0.00 H new ATOM 0 HG23 THR A 169 -2.649 -18.370 -17.046 1.00 0.00 H new ATOM 26 N LYS A 170 -3.922 -14.520 -19.851 1.00 0.00 N ATOM 27 CA LYS A 170 -4.904 -13.420 -19.867 1.00 0.00 C ATOM 28 C LYS A 170 -6.308 -13.901 -19.457 1.00 0.00 C ATOM 29 O LYS A 170 -6.705 -15.026 -19.771 1.00 0.00 O ATOM 30 CB LYS A 170 -4.902 -12.791 -21.277 1.00 0.00 C ATOM 31 CG LYS A 170 -5.769 -11.528 -21.451 1.00 0.00 C ATOM 32 CD LYS A 170 -5.413 -10.345 -20.534 1.00 0.00 C ATOM 33 CE LYS A 170 -3.966 -9.874 -20.719 1.00 0.00 C ATOM 34 NZ LYS A 170 -3.670 -8.712 -19.855 1.00 0.00 N ATOM 0 H LYS A 170 -3.574 -14.752 -20.782 1.00 0.00 H new ATOM 0 HA LYS A 170 -4.621 -12.667 -19.131 1.00 0.00 H new ATOM 0 HB2 LYS A 170 -3.874 -12.542 -21.541 1.00 0.00 H new ATOM 0 HB3 LYS A 170 -5.242 -13.543 -21.990 1.00 0.00 H new ATOM 0 HG2 LYS A 170 -5.693 -11.197 -22.487 1.00 0.00 H new ATOM 0 HG3 LYS A 170 -6.811 -11.798 -21.278 1.00 0.00 H new ATOM 0 HD2 LYS A 170 -6.090 -9.516 -20.737 1.00 0.00 H new ATOM 0 HD3 LYS A 170 -5.567 -10.636 -19.495 1.00 0.00 H new ATOM 0 HE2 LYS A 170 -3.282 -10.689 -20.484 1.00 0.00 H new ATOM 0 HE3 LYS A 170 -3.798 -9.608 -21.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -2.684 -8.414 -20.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 -4.308 -7.928 -20.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -3.809 -8.976 -18.859 1.00 0.00 H new ATOM 48 N VAL A 171 -7.065 -13.025 -18.793 1.00 0.00 N ATOM 49 CA VAL A 171 -8.452 -13.239 -18.331 1.00 0.00 C ATOM 50 C VAL A 171 -9.303 -11.980 -18.554 1.00 0.00 C ATOM 51 O VAL A 171 -8.771 -10.893 -18.786 1.00 0.00 O ATOM 52 CB VAL A 171 -8.505 -13.674 -16.846 1.00 0.00 C ATOM 53 CG1 VAL A 171 -7.876 -15.055 -16.632 1.00 0.00 C ATOM 54 CG2 VAL A 171 -7.831 -12.677 -15.893 1.00 0.00 C ATOM 0 H VAL A 171 -6.716 -12.098 -18.547 1.00 0.00 H new ATOM 0 HA VAL A 171 -8.868 -14.051 -18.927 1.00 0.00 H new ATOM 0 HB VAL A 171 -9.568 -13.709 -16.607 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -7.934 -15.322 -15.577 1.00 0.00 H new ATOM 0 HG12 VAL A 171 -8.414 -15.796 -17.224 1.00 0.00 H new ATOM 0 HG13 VAL A 171 -6.832 -15.031 -16.943 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -7.905 -13.045 -14.870 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -6.781 -12.568 -16.164 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -8.328 -11.710 -15.968 1.00 0.00 H new ATOM 64 N GLU A 172 -10.630 -12.121 -18.486 1.00 0.00 N ATOM 65 CA GLU A 172 -11.612 -11.040 -18.710 1.00 0.00 C ATOM 66 C GLU A 172 -12.674 -10.967 -17.587 1.00 0.00 C ATOM 67 O GLU A 172 -13.809 -10.535 -17.802 1.00 0.00 O ATOM 68 CB GLU A 172 -12.252 -11.202 -20.106 1.00 0.00 C ATOM 69 CG GLU A 172 -11.238 -11.102 -21.255 1.00 0.00 C ATOM 70 CD GLU A 172 -11.945 -11.149 -22.615 1.00 0.00 C ATOM 71 OE1 GLU A 172 -12.146 -12.273 -23.138 1.00 0.00 O ATOM 72 OE2 GLU A 172 -12.291 -10.063 -23.140 1.00 0.00 O ATOM 0 H GLU A 172 -11.070 -13.015 -18.267 1.00 0.00 H new ATOM 0 HA GLU A 172 -11.085 -10.086 -18.678 1.00 0.00 H new ATOM 0 HB2 GLU A 172 -12.755 -12.168 -20.158 1.00 0.00 H new ATOM 0 HB3 GLU A 172 -13.017 -10.437 -20.238 1.00 0.00 H new ATOM 0 HG2 GLU A 172 -10.673 -10.174 -21.167 1.00 0.00 H new ATOM 0 HG3 GLU A 172 -10.521 -11.920 -21.185 1.00 0.00 H new ATOM 79 N ALA A 173 -12.313 -11.406 -16.373 1.00 0.00 N ATOM 80 CA ALA A 173 -13.184 -11.425 -15.190 1.00 0.00 C ATOM 81 C ALA A 173 -13.710 -10.037 -14.748 1.00 0.00 C ATOM 82 O ALA A 173 -14.725 -9.958 -14.052 1.00 0.00 O ATOM 83 CB ALA A 173 -12.416 -12.109 -14.052 1.00 0.00 C ATOM 0 H ALA A 173 -11.379 -11.768 -16.182 1.00 0.00 H new ATOM 0 HA ALA A 173 -14.085 -11.978 -15.455 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -13.039 -12.138 -13.158 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -12.158 -13.126 -14.347 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -11.504 -11.550 -13.841 1.00 0.00 H new ATOM 89 N LEU A 174 -13.043 -8.950 -15.160 1.00 0.00 N ATOM 90 CA LEU A 174 -13.389 -7.550 -14.874 1.00 0.00 C ATOM 91 C LEU A 174 -13.137 -6.663 -16.110 1.00 0.00 C ATOM 92 O LEU A 174 -12.263 -6.955 -16.932 1.00 0.00 O ATOM 93 CB LEU A 174 -12.546 -7.036 -13.684 1.00 0.00 C ATOM 94 CG LEU A 174 -12.848 -7.672 -12.312 1.00 0.00 C ATOM 95 CD1 LEU A 174 -11.840 -7.162 -11.281 1.00 0.00 C ATOM 96 CD2 LEU A 174 -14.250 -7.324 -11.804 1.00 0.00 C ATOM 0 H LEU A 174 -12.202 -9.028 -15.733 1.00 0.00 H new ATOM 0 HA LEU A 174 -14.448 -7.500 -14.620 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -11.493 -7.200 -13.914 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -12.690 -5.959 -13.602 1.00 0.00 H new ATOM 0 HG LEU A 174 -12.781 -8.752 -12.441 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -12.053 -7.611 -10.311 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -10.831 -7.433 -11.593 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -11.916 -6.077 -11.203 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -14.413 -7.796 -10.835 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -14.342 -6.243 -11.701 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -14.994 -7.685 -12.514 1.00 0.00 H new ATOM 108 N HIS A 175 -13.894 -5.566 -16.220 1.00 0.00 N ATOM 109 CA HIS A 175 -13.820 -4.560 -17.297 1.00 0.00 C ATOM 110 C HIS A 175 -14.404 -3.214 -16.832 1.00 0.00 C ATOM 111 O HIS A 175 -15.173 -3.176 -15.867 1.00 0.00 O ATOM 112 CB HIS A 175 -14.570 -5.080 -18.541 1.00 0.00 C ATOM 113 CG HIS A 175 -16.046 -5.320 -18.322 1.00 0.00 C ATOM 114 ND1 HIS A 175 -16.613 -6.454 -17.767 1.00 0.00 N ATOM 115 CD2 HIS A 175 -17.063 -4.457 -18.629 1.00 0.00 C ATOM 116 CE1 HIS A 175 -17.948 -6.282 -17.732 1.00 0.00 C ATOM 117 NE2 HIS A 175 -18.242 -5.074 -18.252 1.00 0.00 N ATOM 0 H HIS A 175 -14.611 -5.340 -15.530 1.00 0.00 H new ATOM 0 HA HIS A 175 -12.774 -4.395 -17.555 1.00 0.00 H new ATOM 0 HB2 HIS A 175 -14.447 -4.362 -19.352 1.00 0.00 H new ATOM 0 HB3 HIS A 175 -14.107 -6.011 -18.867 1.00 0.00 H new ATOM 0 HD2 HIS A 175 -16.964 -3.481 -19.080 1.00 0.00 H new ATOM 0 HE1 HIS A 175 -18.665 -6.994 -17.350 1.00 0.00 H new ATOM 0 HE2 HIS A 175 -19.178 -4.680 -18.351 1.00 0.00 H new ATOM 126 N GLN A 176 -14.062 -2.118 -17.515 1.00 0.00 N ATOM 127 CA GLN A 176 -14.538 -0.757 -17.212 1.00 0.00 C ATOM 128 C GLN A 176 -14.793 0.065 -18.490 1.00 0.00 C ATOM 129 O GLN A 176 -14.268 -0.237 -19.563 1.00 0.00 O ATOM 130 CB GLN A 176 -13.513 -0.024 -16.319 1.00 0.00 C ATOM 131 CG GLN A 176 -13.375 -0.633 -14.914 1.00 0.00 C ATOM 132 CD GLN A 176 -12.489 0.218 -14.004 1.00 0.00 C ATOM 133 OE1 GLN A 176 -11.300 0.400 -14.234 1.00 0.00 O ATOM 134 NE2 GLN A 176 -13.022 0.771 -12.933 1.00 0.00 N ATOM 0 H GLN A 176 -13.430 -2.149 -18.315 1.00 0.00 H new ATOM 0 HA GLN A 176 -15.487 -0.854 -16.684 1.00 0.00 H new ATOM 0 HB2 GLN A 176 -12.540 -0.039 -16.810 1.00 0.00 H new ATOM 0 HB3 GLN A 176 -13.807 1.021 -16.226 1.00 0.00 H new ATOM 0 HG2 GLN A 176 -14.363 -0.735 -14.465 1.00 0.00 H new ATOM 0 HG3 GLN A 176 -12.955 -1.636 -14.993 1.00 0.00 H new ATOM 0 HE21 GLN A 176 -14.011 0.631 -12.725 1.00 0.00 H new ATOM 0 HE22 GLN A 176 -12.446 1.339 -12.312 1.00 0.00 H new ATOM 143 N ASN A 177 -15.582 1.138 -18.363 1.00 0.00 N ATOM 144 CA ASN A 177 -15.924 2.075 -19.446 1.00 0.00 C ATOM 145 C ASN A 177 -14.912 3.237 -19.614 1.00 0.00 C ATOM 146 O ASN A 177 -15.142 4.146 -20.417 1.00 0.00 O ATOM 147 CB ASN A 177 -17.361 2.592 -19.216 1.00 0.00 C ATOM 148 CG ASN A 177 -17.497 3.576 -18.058 1.00 0.00 C ATOM 149 OD1 ASN A 177 -16.812 3.498 -17.047 1.00 0.00 O ATOM 150 ND2 ASN A 177 -18.390 4.534 -18.162 1.00 0.00 N ATOM 0 H ASN A 177 -16.016 1.389 -17.475 1.00 0.00 H new ATOM 0 HA ASN A 177 -15.869 1.531 -20.389 1.00 0.00 H new ATOM 0 HB2 ASN A 177 -17.712 3.073 -20.129 1.00 0.00 H new ATOM 0 HB3 ASN A 177 -18.016 1.740 -19.032 1.00 0.00 H new ATOM 0 HD21 ASN A 177 -18.508 5.206 -17.403 1.00 0.00 H new ATOM 0 HD22 ASN A 177 -18.965 4.606 -19.001 1.00 0.00 H new ATOM 157 N ARG A 178 -13.802 3.219 -18.859 1.00 0.00 N ATOM 158 CA ARG A 178 -12.733 4.232 -18.850 1.00 0.00 C ATOM 159 C ARG A 178 -11.361 3.548 -18.867 1.00 0.00 C ATOM 160 O ARG A 178 -10.804 3.199 -17.827 1.00 0.00 O ATOM 161 CB ARG A 178 -12.939 5.175 -17.648 1.00 0.00 C ATOM 162 CG ARG A 178 -11.964 6.366 -17.662 1.00 0.00 C ATOM 163 CD ARG A 178 -12.195 7.313 -16.478 1.00 0.00 C ATOM 164 NE ARG A 178 -13.495 8.006 -16.566 1.00 0.00 N ATOM 165 CZ ARG A 178 -14.032 8.779 -15.636 1.00 0.00 C ATOM 166 NH1 ARG A 178 -13.444 9.025 -14.494 1.00 0.00 N ATOM 167 NH2 ARG A 178 -15.196 9.335 -15.838 1.00 0.00 N ATOM 0 H ARG A 178 -13.616 2.459 -18.205 1.00 0.00 H new ATOM 0 HA ARG A 178 -12.775 4.847 -19.749 1.00 0.00 H new ATOM 0 HB2 ARG A 178 -13.963 5.548 -17.654 1.00 0.00 H new ATOM 0 HB3 ARG A 178 -12.809 4.614 -16.723 1.00 0.00 H new ATOM 0 HG2 ARG A 178 -10.939 5.996 -17.635 1.00 0.00 H new ATOM 0 HG3 ARG A 178 -12.079 6.918 -18.595 1.00 0.00 H new ATOM 0 HD2 ARG A 178 -12.149 6.747 -15.548 1.00 0.00 H new ATOM 0 HD3 ARG A 178 -11.393 8.051 -16.443 1.00 0.00 H new ATOM 0 HE ARG A 178 -14.030 7.877 -17.425 1.00 0.00 H new ATOM 0 HH11 ARG A 178 -12.533 8.614 -14.291 1.00 0.00 H new ATOM 0 HH12 ARG A 178 -13.897 9.628 -13.807 1.00 0.00 H new ATOM 0 HH21 ARG A 178 -15.693 9.174 -16.714 1.00 0.00 H new ATOM 0 HH22 ARG A 178 -15.608 9.931 -15.120 1.00 0.00 H new ATOM 181 N GLU A 179 -10.847 3.331 -20.074 1.00 0.00 N ATOM 182 CA GLU A 179 -9.568 2.663 -20.374 1.00 0.00 C ATOM 183 C GLU A 179 -8.796 3.444 -21.471 1.00 0.00 C ATOM 184 O GLU A 179 -9.148 4.585 -21.790 1.00 0.00 O ATOM 185 CB GLU A 179 -9.840 1.190 -20.765 1.00 0.00 C ATOM 186 CG GLU A 179 -10.486 0.363 -19.633 1.00 0.00 C ATOM 187 CD GLU A 179 -10.714 -1.121 -19.979 1.00 0.00 C ATOM 188 OE1 GLU A 179 -10.140 -1.614 -20.980 1.00 0.00 O ATOM 189 OE2 GLU A 179 -11.463 -1.784 -19.217 1.00 0.00 O ATOM 0 H GLU A 179 -11.332 3.630 -20.920 1.00 0.00 H new ATOM 0 HA GLU A 179 -8.930 2.657 -19.491 1.00 0.00 H new ATOM 0 HB2 GLU A 179 -10.492 1.168 -21.638 1.00 0.00 H new ATOM 0 HB3 GLU A 179 -8.901 0.720 -21.057 1.00 0.00 H new ATOM 0 HG2 GLU A 179 -9.852 0.424 -18.748 1.00 0.00 H new ATOM 0 HG3 GLU A 179 -11.443 0.814 -19.371 1.00 0.00 H new ATOM 196 N MET A 180 -7.730 2.864 -22.042 1.00 0.00 N ATOM 197 CA MET A 180 -6.906 3.487 -23.097 1.00 0.00 C ATOM 198 C MET A 180 -7.704 3.863 -24.367 1.00 0.00 C ATOM 199 O MET A 180 -8.804 3.355 -24.605 1.00 0.00 O ATOM 200 CB MET A 180 -5.730 2.562 -23.457 1.00 0.00 C ATOM 201 CG MET A 180 -4.713 2.454 -22.314 1.00 0.00 C ATOM 202 SD MET A 180 -3.259 1.448 -22.720 1.00 0.00 S ATOM 203 CE MET A 180 -2.300 1.682 -21.198 1.00 0.00 C ATOM 0 H MET A 180 -7.408 1.932 -21.781 1.00 0.00 H new ATOM 0 HA MET A 180 -6.533 4.426 -22.687 1.00 0.00 H new ATOM 0 HB2 MET A 180 -6.110 1.570 -23.699 1.00 0.00 H new ATOM 0 HB3 MET A 180 -5.232 2.939 -24.350 1.00 0.00 H new ATOM 0 HG2 MET A 180 -4.384 3.456 -22.037 1.00 0.00 H new ATOM 0 HG3 MET A 180 -5.206 2.027 -21.441 1.00 0.00 H new ATOM 0 HE1 MET A 180 -1.363 1.129 -21.270 1.00 0.00 H new ATOM 0 HE2 MET A 180 -2.086 2.742 -21.062 1.00 0.00 H new ATOM 0 HE3 MET A 180 -2.873 1.315 -20.347 1.00 0.00 H new ATOM 213 N ILE A 181 -7.126 4.753 -25.190 1.00 0.00 N ATOM 214 CA ILE A 181 -7.694 5.272 -26.450 1.00 0.00 C ATOM 215 C ILE A 181 -8.204 4.116 -27.334 1.00 0.00 C ATOM 216 O ILE A 181 -7.494 3.141 -27.584 1.00 0.00 O ATOM 217 CB ILE A 181 -6.674 6.200 -27.167 1.00 0.00 C ATOM 218 CG1 ILE A 181 -6.510 7.582 -26.484 1.00 0.00 C ATOM 219 CG2 ILE A 181 -7.085 6.490 -28.623 1.00 0.00 C ATOM 220 CD1 ILE A 181 -5.931 7.582 -25.064 1.00 0.00 C ATOM 0 H ILE A 181 -6.208 5.150 -24.988 1.00 0.00 H new ATOM 0 HA ILE A 181 -8.564 5.890 -26.228 1.00 0.00 H new ATOM 0 HB ILE A 181 -5.736 5.646 -27.117 1.00 0.00 H new ATOM 0 HG12 ILE A 181 -5.869 8.199 -27.113 1.00 0.00 H new ATOM 0 HG13 ILE A 181 -7.487 8.065 -26.454 1.00 0.00 H new ATOM 0 HG21 ILE A 181 -6.345 7.142 -29.087 1.00 0.00 H new ATOM 0 HG22 ILE A 181 -7.143 5.554 -29.178 1.00 0.00 H new ATOM 0 HG23 ILE A 181 -8.059 6.980 -28.636 1.00 0.00 H new ATOM 0 HD11 ILE A 181 -5.866 8.606 -24.697 1.00 0.00 H new ATOM 0 HD12 ILE A 181 -6.579 7.002 -24.407 1.00 0.00 H new ATOM 0 HD13 ILE A 181 -4.936 7.138 -25.077 1.00 0.00 H new ATOM 232 N ASP A 182 -9.460 4.223 -27.770 1.00 0.00 N ATOM 233 CA ASP A 182 -10.228 3.197 -28.488 1.00 0.00 C ATOM 234 C ASP A 182 -10.765 3.671 -29.861 1.00 0.00 C ATOM 235 O ASP A 182 -11.940 4.034 -29.983 1.00 0.00 O ATOM 236 CB ASP A 182 -11.328 2.675 -27.538 1.00 0.00 C ATOM 237 CG ASP A 182 -12.416 3.695 -27.147 1.00 0.00 C ATOM 238 OD1 ASP A 182 -12.067 4.837 -26.761 1.00 0.00 O ATOM 239 OD2 ASP A 182 -13.613 3.320 -27.192 1.00 0.00 O ATOM 0 H ASP A 182 -10.002 5.075 -27.625 1.00 0.00 H new ATOM 0 HA ASP A 182 -9.566 2.374 -28.756 1.00 0.00 H new ATOM 0 HB2 ASP A 182 -11.811 1.819 -28.008 1.00 0.00 H new ATOM 0 HB3 ASP A 182 -10.853 2.312 -26.627 1.00 0.00 H new ATOM 244 N PRO A 183 -9.917 3.690 -30.909 1.00 0.00 N ATOM 245 CA PRO A 183 -10.308 4.119 -32.251 1.00 0.00 C ATOM 246 C PRO A 183 -11.063 3.018 -33.017 1.00 0.00 C ATOM 247 O PRO A 183 -10.923 1.825 -32.733 1.00 0.00 O ATOM 248 CB PRO A 183 -8.981 4.441 -32.947 1.00 0.00 C ATOM 249 CG PRO A 183 -8.015 3.423 -32.339 1.00 0.00 C ATOM 250 CD PRO A 183 -8.514 3.289 -30.900 1.00 0.00 C ATOM 0 HA PRO A 183 -10.991 4.968 -32.215 1.00 0.00 H new ATOM 0 HB2 PRO A 183 -9.056 4.330 -34.029 1.00 0.00 H new ATOM 0 HB3 PRO A 183 -8.662 5.465 -32.753 1.00 0.00 H new ATOM 0 HG2 PRO A 183 -8.048 2.470 -32.868 1.00 0.00 H new ATOM 0 HG3 PRO A 183 -6.983 3.773 -32.377 1.00 0.00 H new ATOM 0 HD2 PRO A 183 -8.406 2.264 -30.546 1.00 0.00 H new ATOM 0 HD3 PRO A 183 -7.934 3.921 -30.228 1.00 0.00 H new ATOM 258 N ASP A 184 -11.817 3.412 -34.046 1.00 0.00 N ATOM 259 CA ASP A 184 -12.472 2.470 -34.961 1.00 0.00 C ATOM 260 C ASP A 184 -11.418 1.914 -35.939 1.00 0.00 C ATOM 261 O ASP A 184 -10.629 2.679 -36.507 1.00 0.00 O ATOM 262 CB ASP A 184 -13.603 3.178 -35.724 1.00 0.00 C ATOM 263 CG ASP A 184 -14.321 2.232 -36.697 1.00 0.00 C ATOM 264 OD1 ASP A 184 -15.288 1.558 -36.268 1.00 0.00 O ATOM 265 OD2 ASP A 184 -13.903 2.183 -37.878 1.00 0.00 O ATOM 0 H ASP A 184 -11.991 4.392 -34.269 1.00 0.00 H new ATOM 0 HA ASP A 184 -12.910 1.646 -34.398 1.00 0.00 H new ATOM 0 HB2 ASP A 184 -14.323 3.581 -35.012 1.00 0.00 H new ATOM 0 HB3 ASP A 184 -13.194 4.024 -36.276 1.00 0.00 H new ATOM 270 N LYS A 185 -11.403 0.594 -36.150 1.00 0.00 N ATOM 271 CA LYS A 185 -10.470 -0.110 -37.039 1.00 0.00 C ATOM 272 C LYS A 185 -11.214 -1.154 -37.872 1.00 0.00 C ATOM 273 O LYS A 185 -12.307 -1.589 -37.507 1.00 0.00 O ATOM 274 CB LYS A 185 -9.360 -0.763 -36.193 1.00 0.00 C ATOM 275 CG LYS A 185 -8.373 0.206 -35.520 1.00 0.00 C ATOM 276 CD LYS A 185 -7.493 0.959 -36.528 1.00 0.00 C ATOM 277 CE LYS A 185 -6.475 1.832 -35.789 1.00 0.00 C ATOM 278 NZ LYS A 185 -5.595 2.544 -36.739 1.00 0.00 N ATOM 0 H LYS A 185 -12.062 -0.036 -35.692 1.00 0.00 H new ATOM 0 HA LYS A 185 -10.015 0.600 -37.729 1.00 0.00 H new ATOM 0 HB2 LYS A 185 -9.829 -1.370 -35.419 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -8.795 -1.442 -36.831 1.00 0.00 H new ATOM 0 HG2 LYS A 185 -8.930 0.927 -34.922 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -7.735 -0.351 -34.834 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -6.975 0.248 -37.172 1.00 0.00 H new ATOM 0 HD3 LYS A 185 -8.115 1.579 -37.173 1.00 0.00 H new ATOM 0 HE2 LYS A 185 -6.998 2.554 -35.162 1.00 0.00 H new ATOM 0 HE3 LYS A 185 -5.873 1.211 -35.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 -4.915 3.128 -36.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 -5.080 1.852 -37.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 -6.170 3.153 -37.355 1.00 0.00 H new ATOM 292 N PHE A 186 -10.614 -1.563 -38.986 1.00 0.00 N ATOM 293 CA PHE A 186 -11.187 -2.527 -39.929 1.00 0.00 C ATOM 294 C PHE A 186 -10.104 -3.396 -40.589 1.00 0.00 C ATOM 295 O PHE A 186 -8.959 -2.964 -40.757 1.00 0.00 O ATOM 296 CB PHE A 186 -11.991 -1.743 -40.986 1.00 0.00 C ATOM 297 CG PHE A 186 -12.613 -2.585 -42.088 1.00 0.00 C ATOM 298 CD1 PHE A 186 -13.677 -3.455 -41.793 1.00 0.00 C ATOM 299 CD2 PHE A 186 -12.117 -2.519 -43.405 1.00 0.00 C ATOM 300 CE1 PHE A 186 -14.207 -4.297 -42.786 1.00 0.00 C ATOM 301 CE2 PHE A 186 -12.679 -3.326 -44.412 1.00 0.00 C ATOM 302 CZ PHE A 186 -13.714 -4.227 -44.101 1.00 0.00 C ATOM 0 H PHE A 186 -9.693 -1.227 -39.268 1.00 0.00 H new ATOM 0 HA PHE A 186 -11.842 -3.213 -39.392 1.00 0.00 H new ATOM 0 HB2 PHE A 186 -12.785 -1.193 -40.480 1.00 0.00 H new ATOM 0 HB3 PHE A 186 -11.333 -1.004 -41.444 1.00 0.00 H new ATOM 0 HD1 PHE A 186 -14.091 -3.477 -40.796 1.00 0.00 H new ATOM 0 HD2 PHE A 186 -11.304 -1.848 -43.642 1.00 0.00 H new ATOM 0 HE1 PHE A 186 -14.992 -4.997 -42.539 1.00 0.00 H new ATOM 0 HE2 PHE A 186 -12.315 -3.253 -45.426 1.00 0.00 H new ATOM 0 HZ PHE A 186 -14.128 -4.863 -44.870 1.00 0.00 H new ATOM 312 N CYS A 187 -10.491 -4.610 -40.980 1.00 0.00 N ATOM 313 CA CYS A 187 -9.675 -5.605 -41.663 1.00 0.00 C ATOM 314 C CYS A 187 -10.409 -6.069 -42.935 1.00 0.00 C ATOM 315 O CYS A 187 -11.402 -6.803 -42.881 1.00 0.00 O ATOM 316 CB CYS A 187 -9.378 -6.759 -40.693 1.00 0.00 C ATOM 317 SG CYS A 187 -8.188 -7.907 -41.444 1.00 0.00 S ATOM 0 H CYS A 187 -11.442 -4.942 -40.817 1.00 0.00 H new ATOM 0 HA CYS A 187 -8.718 -5.186 -41.974 1.00 0.00 H new ATOM 0 HB2 CYS A 187 -8.977 -6.366 -39.758 1.00 0.00 H new ATOM 0 HB3 CYS A 187 -10.300 -7.286 -40.448 1.00 0.00 H new ATOM 322 N SER A 188 -9.937 -5.600 -44.095 1.00 0.00 N ATOM 323 CA SER A 188 -10.513 -5.928 -45.409 1.00 0.00 C ATOM 324 C SER A 188 -10.303 -7.402 -45.793 1.00 0.00 C ATOM 325 O SER A 188 -11.149 -8.005 -46.459 1.00 0.00 O ATOM 326 CB SER A 188 -9.886 -5.011 -46.470 1.00 0.00 C ATOM 327 OG SER A 188 -10.511 -5.158 -47.736 1.00 0.00 O ATOM 0 H SER A 188 -9.134 -4.974 -44.151 1.00 0.00 H new ATOM 0 HA SER A 188 -11.590 -5.768 -45.354 1.00 0.00 H new ATOM 0 HB2 SER A 188 -9.965 -3.974 -46.145 1.00 0.00 H new ATOM 0 HB3 SER A 188 -8.824 -5.236 -46.562 1.00 0.00 H new ATOM 0 HG SER A 188 -10.085 -4.557 -48.383 1.00 0.00 H new ATOM 333 N LEU A 189 -9.195 -8.003 -45.344 1.00 0.00 N ATOM 334 CA LEU A 189 -8.833 -9.400 -45.608 1.00 0.00 C ATOM 335 C LEU A 189 -9.747 -10.416 -44.887 1.00 0.00 C ATOM 336 O LEU A 189 -9.904 -11.541 -45.372 1.00 0.00 O ATOM 337 CB LEU A 189 -7.359 -9.622 -45.218 1.00 0.00 C ATOM 338 CG LEU A 189 -6.349 -8.743 -45.982 1.00 0.00 C ATOM 339 CD1 LEU A 189 -4.950 -8.919 -45.394 1.00 0.00 C ATOM 340 CD2 LEU A 189 -6.285 -9.091 -47.472 1.00 0.00 C ATOM 0 H LEU A 189 -8.506 -7.517 -44.770 1.00 0.00 H new ATOM 0 HA LEU A 189 -8.973 -9.578 -46.674 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -7.248 -9.434 -44.150 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -7.107 -10.669 -45.385 1.00 0.00 H new ATOM 0 HG LEU A 189 -6.690 -7.713 -45.878 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -4.244 -8.294 -45.941 1.00 0.00 H new ATOM 0 HD12 LEU A 189 -4.957 -8.626 -44.344 1.00 0.00 H new ATOM 0 HD13 LEU A 189 -4.649 -9.963 -45.477 1.00 0.00 H new ATOM 0 HD21 LEU A 189 -5.560 -8.444 -47.966 1.00 0.00 H new ATOM 0 HD22 LEU A 189 -5.983 -10.132 -47.590 1.00 0.00 H new ATOM 0 HD23 LEU A 189 -7.267 -8.945 -47.922 1.00 0.00 H new ATOM 352 N CYS A 190 -10.353 -10.012 -43.765 1.00 0.00 N ATOM 353 CA CYS A 190 -11.216 -10.832 -42.906 1.00 0.00 C ATOM 354 C CYS A 190 -12.670 -10.318 -42.808 1.00 0.00 C ATOM 355 O CYS A 190 -13.514 -10.976 -42.190 1.00 0.00 O ATOM 356 CB CYS A 190 -10.588 -10.857 -41.497 1.00 0.00 C ATOM 357 SG CYS A 190 -8.888 -11.513 -41.487 1.00 0.00 S ATOM 0 H CYS A 190 -10.251 -9.060 -43.414 1.00 0.00 H new ATOM 0 HA CYS A 190 -11.277 -11.825 -43.350 1.00 0.00 H new ATOM 0 HB2 CYS A 190 -10.584 -9.846 -41.089 1.00 0.00 H new ATOM 0 HB3 CYS A 190 -11.210 -11.464 -40.839 1.00 0.00 H new ATOM 362 N HIS A 191 -12.965 -9.142 -43.384 1.00 0.00 N ATOM 363 CA HIS A 191 -14.257 -8.440 -43.303 1.00 0.00 C ATOM 364 C HIS A 191 -14.708 -8.295 -41.833 1.00 0.00 C ATOM 365 O HIS A 191 -15.805 -8.711 -41.446 1.00 0.00 O ATOM 366 CB HIS A 191 -15.277 -9.092 -44.255 1.00 0.00 C ATOM 367 CG HIS A 191 -16.440 -8.192 -44.591 1.00 0.00 C ATOM 368 ND1 HIS A 191 -16.476 -7.272 -45.623 1.00 0.00 N ATOM 369 CD2 HIS A 191 -17.644 -8.138 -43.945 1.00 0.00 C ATOM 370 CE1 HIS A 191 -17.680 -6.670 -45.606 1.00 0.00 C ATOM 371 NE2 HIS A 191 -18.405 -7.181 -44.591 1.00 0.00 N ATOM 0 H HIS A 191 -12.281 -8.632 -43.943 1.00 0.00 H new ATOM 0 HA HIS A 191 -14.159 -7.414 -43.658 1.00 0.00 H new ATOM 0 HB2 HIS A 191 -14.771 -9.380 -45.177 1.00 0.00 H new ATOM 0 HB3 HIS A 191 -15.655 -10.008 -43.800 1.00 0.00 H new ATOM 0 HD2 HIS A 191 -17.943 -8.730 -43.093 1.00 0.00 H new ATOM 0 HE1 HIS A 191 -18.010 -5.904 -46.292 1.00 0.00 H new ATOM 0 HE2 HIS A 191 -19.355 -6.908 -44.341 1.00 0.00 H new ATOM 380 N ALA A 192 -13.819 -7.736 -41.007 1.00 0.00 N ATOM 381 CA ALA A 192 -13.975 -7.579 -39.556 1.00 0.00 C ATOM 382 C ALA A 192 -13.737 -6.125 -39.106 1.00 0.00 C ATOM 383 O ALA A 192 -12.889 -5.433 -39.667 1.00 0.00 O ATOM 384 CB ALA A 192 -12.995 -8.547 -38.873 1.00 0.00 C ATOM 0 H ALA A 192 -12.932 -7.364 -41.345 1.00 0.00 H new ATOM 0 HA ALA A 192 -14.999 -7.815 -39.268 1.00 0.00 H new ATOM 0 HB1 ALA A 192 -13.087 -8.454 -37.791 1.00 0.00 H new ATOM 0 HB2 ALA A 192 -13.227 -9.570 -39.170 1.00 0.00 H new ATOM 0 HB3 ALA A 192 -11.976 -8.304 -39.173 1.00 0.00 H new ATOM 390 N THR A 193 -14.474 -5.669 -38.086 1.00 0.00 N ATOM 391 CA THR A 193 -14.423 -4.291 -37.542 1.00 0.00 C ATOM 392 C THR A 193 -14.157 -4.316 -36.033 1.00 0.00 C ATOM 393 O THR A 193 -14.607 -5.236 -35.343 1.00 0.00 O ATOM 394 CB THR A 193 -15.746 -3.547 -37.823 1.00 0.00 C ATOM 395 OG1 THR A 193 -16.160 -3.717 -39.165 1.00 0.00 O ATOM 396 CG2 THR A 193 -15.657 -2.036 -37.604 1.00 0.00 C ATOM 0 H THR A 193 -15.145 -6.260 -37.596 1.00 0.00 H new ATOM 0 HA THR A 193 -13.607 -3.764 -38.037 1.00 0.00 H new ATOM 0 HB THR A 193 -16.452 -3.984 -37.117 1.00 0.00 H new ATOM 0 HG1 THR A 193 -17.001 -3.236 -39.311 1.00 0.00 H new ATOM 0 HG21 THR A 193 -16.623 -1.579 -37.820 1.00 0.00 H new ATOM 0 HG22 THR A 193 -15.384 -1.834 -36.568 1.00 0.00 H new ATOM 0 HG23 THR A 193 -14.901 -1.616 -38.267 1.00 0.00 H new ATOM 404 N PHE A 194 -13.440 -3.316 -35.506 1.00 0.00 N ATOM 405 CA PHE A 194 -13.043 -3.233 -34.092 1.00 0.00 C ATOM 406 C PHE A 194 -13.192 -1.802 -33.554 1.00 0.00 C ATOM 407 O PHE A 194 -13.092 -0.836 -34.311 1.00 0.00 O ATOM 408 CB PHE A 194 -11.586 -3.725 -33.933 1.00 0.00 C ATOM 409 CG PHE A 194 -11.172 -4.816 -34.909 1.00 0.00 C ATOM 410 CD1 PHE A 194 -11.557 -6.152 -34.690 1.00 0.00 C ATOM 411 CD2 PHE A 194 -10.506 -4.471 -36.102 1.00 0.00 C ATOM 412 CE1 PHE A 194 -11.287 -7.130 -35.663 1.00 0.00 C ATOM 413 CE2 PHE A 194 -10.246 -5.444 -37.079 1.00 0.00 C ATOM 414 CZ PHE A 194 -10.638 -6.773 -36.859 1.00 0.00 C ATOM 0 H PHE A 194 -13.112 -2.525 -36.060 1.00 0.00 H new ATOM 0 HA PHE A 194 -13.704 -3.873 -33.508 1.00 0.00 H new ATOM 0 HB2 PHE A 194 -10.915 -2.875 -34.054 1.00 0.00 H new ATOM 0 HB3 PHE A 194 -11.451 -4.096 -32.917 1.00 0.00 H new ATOM 0 HD1 PHE A 194 -12.060 -6.426 -33.774 1.00 0.00 H new ATOM 0 HD2 PHE A 194 -10.193 -3.450 -36.266 1.00 0.00 H new ATOM 0 HE1 PHE A 194 -11.578 -8.156 -35.492 1.00 0.00 H new ATOM 0 HE2 PHE A 194 -9.746 -5.171 -37.997 1.00 0.00 H new ATOM 0 HZ PHE A 194 -10.441 -7.524 -37.610 1.00 0.00 H new ATOM 424 N ASN A 195 -13.421 -1.666 -32.245 1.00 0.00 N ATOM 425 CA ASN A 195 -13.611 -0.383 -31.550 1.00 0.00 C ATOM 426 C ASN A 195 -12.921 -0.359 -30.167 1.00 0.00 C ATOM 427 O ASN A 195 -13.377 0.305 -29.238 1.00 0.00 O ATOM 428 CB ASN A 195 -15.122 -0.064 -31.504 1.00 0.00 C ATOM 429 CG ASN A 195 -15.600 0.567 -32.800 1.00 0.00 C ATOM 430 OD1 ASN A 195 -15.353 1.735 -33.065 1.00 0.00 O ATOM 431 ND2 ASN A 195 -16.309 -0.156 -33.638 1.00 0.00 N ATOM 0 H ASN A 195 -13.482 -2.468 -31.618 1.00 0.00 H new ATOM 0 HA ASN A 195 -13.117 0.415 -32.105 1.00 0.00 H new ATOM 0 HB2 ASN A 195 -15.682 -0.980 -31.316 1.00 0.00 H new ATOM 0 HB3 ASN A 195 -15.327 0.611 -30.673 1.00 0.00 H new ATOM 0 HD21 ASN A 195 -16.651 0.258 -34.505 1.00 0.00 H new ATOM 0 HD22 ASN A 195 -16.517 -1.131 -33.421 1.00 0.00 H new ATOM 438 N ASP A 196 -11.807 -1.084 -30.022 1.00 0.00 N ATOM 439 CA ASP A 196 -10.968 -1.158 -28.815 1.00 0.00 C ATOM 440 C ASP A 196 -9.500 -1.409 -29.218 1.00 0.00 C ATOM 441 O ASP A 196 -9.259 -2.072 -30.235 1.00 0.00 O ATOM 442 CB ASP A 196 -11.469 -2.274 -27.881 1.00 0.00 C ATOM 443 CG ASP A 196 -12.722 -1.870 -27.098 1.00 0.00 C ATOM 444 OD1 ASP A 196 -12.584 -1.027 -26.180 1.00 0.00 O ATOM 445 OD2 ASP A 196 -13.807 -2.425 -27.394 1.00 0.00 O ATOM 0 H ASP A 196 -11.446 -1.665 -30.779 1.00 0.00 H new ATOM 0 HA ASP A 196 -11.031 -0.211 -28.279 1.00 0.00 H new ATOM 0 HB2 ASP A 196 -11.685 -3.166 -28.470 1.00 0.00 H new ATOM 0 HB3 ASP A 196 -10.677 -2.539 -27.180 1.00 0.00 H new ATOM 450 N PRO A 197 -8.510 -0.908 -28.450 1.00 0.00 N ATOM 451 CA PRO A 197 -7.094 -1.038 -28.803 1.00 0.00 C ATOM 452 C PRO A 197 -6.610 -2.487 -28.808 1.00 0.00 C ATOM 453 O PRO A 197 -5.980 -2.947 -29.761 1.00 0.00 O ATOM 454 CB PRO A 197 -6.322 -0.223 -27.751 1.00 0.00 C ATOM 455 CG PRO A 197 -7.286 -0.076 -26.573 1.00 0.00 C ATOM 456 CD PRO A 197 -8.669 -0.152 -27.212 1.00 0.00 C ATOM 0 HA PRO A 197 -6.931 -0.675 -29.818 1.00 0.00 H new ATOM 0 HB2 PRO A 197 -5.407 -0.734 -27.450 1.00 0.00 H new ATOM 0 HB3 PRO A 197 -6.029 0.750 -28.144 1.00 0.00 H new ATOM 0 HG2 PRO A 197 -7.142 -0.869 -25.839 1.00 0.00 H new ATOM 0 HG3 PRO A 197 -7.139 0.871 -26.053 1.00 0.00 H new ATOM 0 HD2 PRO A 197 -9.378 -0.643 -26.546 1.00 0.00 H new ATOM 0 HD3 PRO A 197 -9.059 0.846 -27.414 1.00 0.00 H new ATOM 464 N VAL A 198 -6.911 -3.210 -27.729 1.00 0.00 N ATOM 465 CA VAL A 198 -6.496 -4.604 -27.540 1.00 0.00 C ATOM 466 C VAL A 198 -7.239 -5.528 -28.502 1.00 0.00 C ATOM 467 O VAL A 198 -6.618 -6.426 -29.059 1.00 0.00 O ATOM 468 CB VAL A 198 -6.654 -5.006 -26.061 1.00 0.00 C ATOM 469 CG1 VAL A 198 -6.253 -6.463 -25.801 1.00 0.00 C ATOM 470 CG2 VAL A 198 -5.758 -4.108 -25.189 1.00 0.00 C ATOM 0 H VAL A 198 -7.457 -2.841 -26.950 1.00 0.00 H new ATOM 0 HA VAL A 198 -5.439 -4.706 -27.784 1.00 0.00 H new ATOM 0 HB VAL A 198 -7.708 -4.888 -25.811 1.00 0.00 H new ATOM 0 HG11 VAL A 198 -6.384 -6.693 -24.744 1.00 0.00 H new ATOM 0 HG12 VAL A 198 -6.881 -7.125 -26.397 1.00 0.00 H new ATOM 0 HG13 VAL A 198 -5.209 -6.608 -26.077 1.00 0.00 H new ATOM 0 HG21 VAL A 198 -5.868 -4.391 -24.142 1.00 0.00 H new ATOM 0 HG22 VAL A 198 -4.718 -4.230 -25.490 1.00 0.00 H new ATOM 0 HG23 VAL A 198 -6.053 -3.066 -25.316 1.00 0.00 H new ATOM 480 N MET A 199 -8.527 -5.288 -28.777 1.00 0.00 N ATOM 481 CA MET A 199 -9.292 -6.080 -29.754 1.00 0.00 C ATOM 482 C MET A 199 -8.681 -5.964 -31.159 1.00 0.00 C ATOM 483 O MET A 199 -8.442 -6.978 -31.817 1.00 0.00 O ATOM 484 CB MET A 199 -10.761 -5.625 -29.753 1.00 0.00 C ATOM 485 CG MET A 199 -11.653 -6.491 -30.650 1.00 0.00 C ATOM 486 SD MET A 199 -11.765 -8.238 -30.173 1.00 0.00 S ATOM 487 CE MET A 199 -12.783 -8.856 -31.541 1.00 0.00 C ATOM 0 H MET A 199 -9.067 -4.545 -28.333 1.00 0.00 H new ATOM 0 HA MET A 199 -9.248 -7.130 -29.465 1.00 0.00 H new ATOM 0 HB2 MET A 199 -11.144 -5.652 -28.733 1.00 0.00 H new ATOM 0 HB3 MET A 199 -10.816 -4.589 -30.086 1.00 0.00 H new ATOM 0 HG2 MET A 199 -12.657 -6.067 -30.654 1.00 0.00 H new ATOM 0 HG3 MET A 199 -11.278 -6.433 -31.672 1.00 0.00 H new ATOM 0 HE1 MET A 199 -12.955 -9.925 -31.412 1.00 0.00 H new ATOM 0 HE2 MET A 199 -13.739 -8.333 -31.548 1.00 0.00 H new ATOM 0 HE3 MET A 199 -12.267 -8.683 -32.485 1.00 0.00 H new ATOM 497 N ALA A 200 -8.376 -4.734 -31.595 1.00 0.00 N ATOM 498 CA ALA A 200 -7.720 -4.478 -32.876 1.00 0.00 C ATOM 499 C ALA A 200 -6.354 -5.181 -32.946 1.00 0.00 C ATOM 500 O ALA A 200 -6.086 -5.947 -33.874 1.00 0.00 O ATOM 501 CB ALA A 200 -7.548 -2.963 -33.049 1.00 0.00 C ATOM 0 H ALA A 200 -8.580 -3.888 -31.063 1.00 0.00 H new ATOM 0 HA ALA A 200 -8.338 -4.876 -33.681 1.00 0.00 H new ATOM 0 HB1 ALA A 200 -7.059 -2.759 -34.002 1.00 0.00 H new ATOM 0 HB2 ALA A 200 -8.526 -2.482 -33.032 1.00 0.00 H new ATOM 0 HB3 ALA A 200 -6.937 -2.571 -32.236 1.00 0.00 H new ATOM 507 N GLN A 201 -5.498 -4.940 -31.946 1.00 0.00 N ATOM 508 CA GLN A 201 -4.156 -5.513 -31.883 1.00 0.00 C ATOM 509 C GLN A 201 -4.167 -7.053 -31.875 1.00 0.00 C ATOM 510 O GLN A 201 -3.400 -7.673 -32.611 1.00 0.00 O ATOM 511 CB GLN A 201 -3.425 -4.941 -30.654 1.00 0.00 C ATOM 512 CG GLN A 201 -1.946 -5.353 -30.524 1.00 0.00 C ATOM 513 CD GLN A 201 -1.000 -4.714 -31.548 1.00 0.00 C ATOM 514 OE1 GLN A 201 -1.385 -4.139 -32.558 1.00 0.00 O ATOM 515 NE2 GLN A 201 0.296 -4.777 -31.317 1.00 0.00 N ATOM 0 H GLN A 201 -5.722 -4.337 -31.154 1.00 0.00 H new ATOM 0 HA GLN A 201 -3.618 -5.232 -32.788 1.00 0.00 H new ATOM 0 HB2 GLN A 201 -3.481 -3.853 -30.691 1.00 0.00 H new ATOM 0 HB3 GLN A 201 -3.955 -5.257 -29.755 1.00 0.00 H new ATOM 0 HG2 GLN A 201 -1.600 -5.096 -29.523 1.00 0.00 H new ATOM 0 HG3 GLN A 201 -1.877 -6.437 -30.616 1.00 0.00 H new ATOM 0 HE21 GLN A 201 0.643 -5.250 -30.483 1.00 0.00 H new ATOM 0 HE22 GLN A 201 0.952 -4.352 -31.972 1.00 0.00 H new ATOM 524 N GLN A 202 -5.047 -7.673 -31.076 1.00 0.00 N ATOM 525 CA GLN A 202 -5.189 -9.130 -30.977 1.00 0.00 C ATOM 526 C GLN A 202 -5.640 -9.755 -32.302 1.00 0.00 C ATOM 527 O GLN A 202 -5.141 -10.820 -32.666 1.00 0.00 O ATOM 528 CB GLN A 202 -6.177 -9.504 -29.856 1.00 0.00 C ATOM 529 CG GLN A 202 -5.583 -9.351 -28.442 1.00 0.00 C ATOM 530 CD GLN A 202 -4.573 -10.433 -28.047 1.00 0.00 C ATOM 531 OE1 GLN A 202 -4.196 -11.315 -28.808 1.00 0.00 O ATOM 532 NE2 GLN A 202 -4.091 -10.410 -26.822 1.00 0.00 N ATOM 0 H GLN A 202 -5.691 -7.165 -30.470 1.00 0.00 H new ATOM 0 HA GLN A 202 -4.205 -9.532 -30.737 1.00 0.00 H new ATOM 0 HB2 GLN A 202 -7.064 -8.877 -29.939 1.00 0.00 H new ATOM 0 HB3 GLN A 202 -6.501 -10.535 -29.996 1.00 0.00 H new ATOM 0 HG2 GLN A 202 -5.097 -8.378 -28.371 1.00 0.00 H new ATOM 0 HG3 GLN A 202 -6.398 -9.354 -27.719 1.00 0.00 H new ATOM 0 HE21 GLN A 202 -4.390 -9.685 -26.170 1.00 0.00 H new ATOM 0 HE22 GLN A 202 -3.419 -11.117 -26.525 1.00 0.00 H new ATOM 541 N HIS A 203 -6.543 -9.102 -33.047 1.00 0.00 N ATOM 542 CA HIS A 203 -6.988 -9.614 -34.346 1.00 0.00 C ATOM 543 C HIS A 203 -5.805 -9.762 -35.317 1.00 0.00 C ATOM 544 O HIS A 203 -5.567 -10.854 -35.832 1.00 0.00 O ATOM 545 CB HIS A 203 -8.089 -8.723 -34.947 1.00 0.00 C ATOM 546 CG HIS A 203 -8.597 -9.274 -36.260 1.00 0.00 C ATOM 547 ND1 HIS A 203 -9.596 -10.212 -36.421 1.00 0.00 N ATOM 548 CD2 HIS A 203 -8.072 -9.033 -37.505 1.00 0.00 C ATOM 549 CE1 HIS A 203 -9.647 -10.547 -37.724 1.00 0.00 C ATOM 550 NE2 HIS A 203 -8.723 -9.866 -38.421 1.00 0.00 N ATOM 0 H HIS A 203 -6.977 -8.221 -32.771 1.00 0.00 H new ATOM 0 HA HIS A 203 -7.413 -10.604 -34.184 1.00 0.00 H new ATOM 0 HB2 HIS A 203 -8.916 -8.641 -34.242 1.00 0.00 H new ATOM 0 HB3 HIS A 203 -7.700 -7.717 -35.101 1.00 0.00 H new ATOM 0 HD1 HIS A 203 -10.192 -10.586 -35.682 1.00 0.00 H new ATOM 0 HD2 HIS A 203 -7.292 -8.323 -37.737 1.00 0.00 H new ATOM 0 HE1 HIS A 203 -10.335 -11.263 -38.149 1.00 0.00 H new ATOM 558 N TYR A 204 -5.033 -8.691 -35.532 1.00 0.00 N ATOM 559 CA TYR A 204 -3.889 -8.666 -36.457 1.00 0.00 C ATOM 560 C TYR A 204 -2.742 -9.656 -36.146 1.00 0.00 C ATOM 561 O TYR A 204 -1.880 -9.874 -37.004 1.00 0.00 O ATOM 562 CB TYR A 204 -3.359 -7.226 -36.567 1.00 0.00 C ATOM 563 CG TYR A 204 -4.380 -6.182 -37.005 1.00 0.00 C ATOM 564 CD1 TYR A 204 -5.221 -6.425 -38.112 1.00 0.00 C ATOM 565 CD2 TYR A 204 -4.484 -4.958 -36.312 1.00 0.00 C ATOM 566 CE1 TYR A 204 -6.174 -5.467 -38.507 1.00 0.00 C ATOM 567 CE2 TYR A 204 -5.432 -3.994 -36.709 1.00 0.00 C ATOM 568 CZ TYR A 204 -6.281 -4.244 -37.809 1.00 0.00 C ATOM 569 OH TYR A 204 -7.180 -3.297 -38.195 1.00 0.00 O ATOM 0 H TYR A 204 -5.187 -7.800 -35.060 1.00 0.00 H new ATOM 0 HA TYR A 204 -4.278 -9.018 -37.413 1.00 0.00 H new ATOM 0 HB2 TYR A 204 -2.956 -6.931 -35.598 1.00 0.00 H new ATOM 0 HB3 TYR A 204 -2.529 -7.216 -37.274 1.00 0.00 H new ATOM 0 HD1 TYR A 204 -5.133 -7.352 -38.660 1.00 0.00 H new ATOM 0 HD2 TYR A 204 -3.834 -4.759 -35.473 1.00 0.00 H new ATOM 0 HE1 TYR A 204 -6.824 -5.668 -39.345 1.00 0.00 H new ATOM 0 HE2 TYR A 204 -5.509 -3.061 -36.170 1.00 0.00 H new ATOM 0 HH TYR A 204 -7.509 -3.505 -39.094 1.00 0.00 H new ATOM 579 N VAL A 205 -2.719 -10.280 -34.959 1.00 0.00 N ATOM 580 CA VAL A 205 -1.694 -11.266 -34.548 1.00 0.00 C ATOM 581 C VAL A 205 -2.258 -12.667 -34.263 1.00 0.00 C ATOM 582 O VAL A 205 -1.491 -13.594 -33.995 1.00 0.00 O ATOM 583 CB VAL A 205 -0.833 -10.764 -33.368 1.00 0.00 C ATOM 584 CG1 VAL A 205 -0.185 -9.407 -33.678 1.00 0.00 C ATOM 585 CG2 VAL A 205 -1.613 -10.658 -32.053 1.00 0.00 C ATOM 0 H VAL A 205 -3.423 -10.114 -34.240 1.00 0.00 H new ATOM 0 HA VAL A 205 -1.045 -11.369 -35.417 1.00 0.00 H new ATOM 0 HB VAL A 205 -0.058 -11.519 -33.238 1.00 0.00 H new ATOM 0 HG11 VAL A 205 0.413 -9.086 -32.825 1.00 0.00 H new ATOM 0 HG12 VAL A 205 0.455 -9.501 -34.555 1.00 0.00 H new ATOM 0 HG13 VAL A 205 -0.963 -8.669 -33.874 1.00 0.00 H new ATOM 0 HG21 VAL A 205 -0.951 -10.300 -31.265 1.00 0.00 H new ATOM 0 HG22 VAL A 205 -2.441 -9.960 -32.176 1.00 0.00 H new ATOM 0 HG23 VAL A 205 -2.003 -11.639 -31.781 1.00 0.00 H new ATOM 595 N GLY A 206 -3.581 -12.849 -34.335 1.00 0.00 N ATOM 596 CA GLY A 206 -4.245 -14.133 -34.095 1.00 0.00 C ATOM 597 C GLY A 206 -4.166 -15.082 -35.295 1.00 0.00 C ATOM 598 O GLY A 206 -4.137 -14.648 -36.451 1.00 0.00 O ATOM 0 H GLY A 206 -4.230 -12.096 -34.565 1.00 0.00 H new ATOM 0 HA2 GLY A 206 -3.791 -14.614 -33.228 1.00 0.00 H new ATOM 0 HA3 GLY A 206 -5.292 -13.954 -33.849 1.00 0.00 H new ATOM 602 N LYS A 207 -4.155 -16.397 -35.034 1.00 0.00 N ATOM 603 CA LYS A 207 -4.075 -17.447 -36.070 1.00 0.00 C ATOM 604 C LYS A 207 -5.161 -17.309 -37.144 1.00 0.00 C ATOM 605 O LYS A 207 -4.871 -17.476 -38.329 1.00 0.00 O ATOM 606 CB LYS A 207 -4.104 -18.828 -35.385 1.00 0.00 C ATOM 607 CG LYS A 207 -3.926 -20.033 -36.326 1.00 0.00 C ATOM 608 CD LYS A 207 -2.584 -20.028 -37.078 1.00 0.00 C ATOM 609 CE LYS A 207 -2.382 -21.303 -37.906 1.00 0.00 C ATOM 610 NZ LYS A 207 -2.188 -22.494 -37.049 1.00 0.00 N ATOM 0 H LYS A 207 -4.202 -16.770 -34.086 1.00 0.00 H new ATOM 0 HA LYS A 207 -3.133 -17.333 -36.607 1.00 0.00 H new ATOM 0 HB2 LYS A 207 -3.318 -18.858 -34.631 1.00 0.00 H new ATOM 0 HB3 LYS A 207 -5.053 -18.935 -34.860 1.00 0.00 H new ATOM 0 HG2 LYS A 207 -4.006 -20.952 -35.746 1.00 0.00 H new ATOM 0 HG3 LYS A 207 -4.740 -20.042 -37.051 1.00 0.00 H new ATOM 0 HD2 LYS A 207 -2.540 -19.159 -37.735 1.00 0.00 H new ATOM 0 HD3 LYS A 207 -1.768 -19.928 -36.362 1.00 0.00 H new ATOM 0 HE2 LYS A 207 -3.247 -21.457 -38.551 1.00 0.00 H new ATOM 0 HE3 LYS A 207 -1.517 -21.180 -38.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 -1.888 -23.299 -37.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 -1.457 -22.294 -36.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 -3.082 -22.728 -36.572 1.00 0.00 H new ATOM 624 N LYS A 208 -6.391 -16.960 -36.745 1.00 0.00 N ATOM 625 CA LYS A 208 -7.536 -16.751 -37.652 1.00 0.00 C ATOM 626 C LYS A 208 -7.273 -15.684 -38.725 1.00 0.00 C ATOM 627 O LYS A 208 -7.606 -15.912 -39.885 1.00 0.00 O ATOM 628 CB LYS A 208 -8.824 -16.486 -36.848 1.00 0.00 C ATOM 629 CG LYS A 208 -8.834 -15.169 -36.045 1.00 0.00 C ATOM 630 CD LYS A 208 -10.048 -15.052 -35.110 1.00 0.00 C ATOM 631 CE LYS A 208 -11.378 -15.026 -35.873 1.00 0.00 C ATOM 632 NZ LYS A 208 -12.521 -14.878 -34.947 1.00 0.00 N ATOM 0 H LYS A 208 -6.627 -16.811 -35.764 1.00 0.00 H new ATOM 0 HA LYS A 208 -7.678 -17.676 -38.211 1.00 0.00 H new ATOM 0 HB2 LYS A 208 -9.669 -16.480 -37.537 1.00 0.00 H new ATOM 0 HB3 LYS A 208 -8.981 -17.315 -36.158 1.00 0.00 H new ATOM 0 HG2 LYS A 208 -7.919 -15.101 -35.456 1.00 0.00 H new ATOM 0 HG3 LYS A 208 -8.831 -14.327 -36.737 1.00 0.00 H new ATOM 0 HD2 LYS A 208 -10.049 -15.891 -34.414 1.00 0.00 H new ATOM 0 HD3 LYS A 208 -9.957 -14.144 -34.514 1.00 0.00 H new ATOM 0 HE2 LYS A 208 -11.375 -14.202 -36.587 1.00 0.00 H new ATOM 0 HE3 LYS A 208 -11.489 -15.945 -36.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 208 -13.408 -14.863 -35.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 208 -12.535 -15.678 -34.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 208 -12.425 -13.989 -34.417 1.00 0.00 H new ATOM 646 N HIS A 209 -6.628 -14.568 -38.371 1.00 0.00 N ATOM 647 CA HIS A 209 -6.266 -13.502 -39.319 1.00 0.00 C ATOM 648 C HIS A 209 -5.242 -13.994 -40.341 1.00 0.00 C ATOM 649 O HIS A 209 -5.429 -13.827 -41.545 1.00 0.00 O ATOM 650 CB HIS A 209 -5.730 -12.286 -38.553 1.00 0.00 C ATOM 651 CG HIS A 209 -5.157 -11.197 -39.435 1.00 0.00 C ATOM 652 ND1 HIS A 209 -5.893 -10.248 -40.150 1.00 0.00 N ATOM 653 CD2 HIS A 209 -3.826 -10.981 -39.662 1.00 0.00 C ATOM 654 CE1 HIS A 209 -4.992 -9.489 -40.795 1.00 0.00 C ATOM 655 NE2 HIS A 209 -3.742 -9.905 -40.519 1.00 0.00 N ATOM 0 H HIS A 209 -6.339 -14.375 -37.412 1.00 0.00 H new ATOM 0 HA HIS A 209 -7.161 -13.209 -39.868 1.00 0.00 H new ATOM 0 HB2 HIS A 209 -6.537 -11.865 -37.953 1.00 0.00 H new ATOM 0 HB3 HIS A 209 -4.958 -12.620 -37.860 1.00 0.00 H new ATOM 0 HD2 HIS A 209 -3.001 -11.544 -39.250 1.00 0.00 H new ATOM 0 HE1 HIS A 209 -5.236 -8.661 -41.444 1.00 0.00 H new ATOM 0 HE2 HIS A 209 -2.881 -9.495 -40.881 1.00 0.00 H new ATOM 663 N ARG A 210 -4.174 -14.662 -39.877 1.00 0.00 N ATOM 664 CA ARG A 210 -3.138 -15.223 -40.762 1.00 0.00 C ATOM 665 C ARG A 210 -3.734 -16.274 -41.709 1.00 0.00 C ATOM 666 O ARG A 210 -3.456 -16.244 -42.908 1.00 0.00 O ATOM 667 CB ARG A 210 -1.945 -15.762 -39.948 1.00 0.00 C ATOM 668 CG ARG A 210 -1.019 -14.650 -39.412 1.00 0.00 C ATOM 669 CD ARG A 210 -1.504 -13.974 -38.116 1.00 0.00 C ATOM 670 NE ARG A 210 -0.730 -12.760 -37.791 1.00 0.00 N ATOM 671 CZ ARG A 210 0.506 -12.689 -37.326 1.00 0.00 C ATOM 672 NH1 ARG A 210 1.240 -13.742 -37.076 1.00 0.00 N ATOM 673 NH2 ARG A 210 1.036 -11.520 -37.093 1.00 0.00 N ATOM 0 H ARG A 210 -4.004 -14.828 -38.885 1.00 0.00 H new ATOM 0 HA ARG A 210 -2.749 -14.421 -41.390 1.00 0.00 H new ATOM 0 HB2 ARG A 210 -2.321 -16.347 -39.109 1.00 0.00 H new ATOM 0 HB3 ARG A 210 -1.364 -16.439 -40.574 1.00 0.00 H new ATOM 0 HG2 ARG A 210 -0.030 -15.074 -39.236 1.00 0.00 H new ATOM 0 HG3 ARG A 210 -0.907 -13.887 -40.183 1.00 0.00 H new ATOM 0 HD2 ARG A 210 -2.558 -13.714 -38.218 1.00 0.00 H new ATOM 0 HD3 ARG A 210 -1.429 -14.682 -37.290 1.00 0.00 H new ATOM 0 HE ARG A 210 -1.205 -11.870 -37.943 1.00 0.00 H new ATOM 0 HH11 ARG A 210 0.864 -14.676 -37.239 1.00 0.00 H new ATOM 0 HH12 ARG A 210 2.188 -13.629 -36.718 1.00 0.00 H new ATOM 0 HH21 ARG A 210 0.498 -10.672 -37.269 1.00 0.00 H new ATOM 0 HH22 ARG A 210 1.989 -11.454 -36.734 1.00 0.00 H new ATOM 687 N LYS A 211 -4.604 -17.157 -41.200 1.00 0.00 N ATOM 688 CA LYS A 211 -5.319 -18.172 -41.994 1.00 0.00 C ATOM 689 C LYS A 211 -6.216 -17.531 -43.061 1.00 0.00 C ATOM 690 O LYS A 211 -6.110 -17.889 -44.232 1.00 0.00 O ATOM 691 CB LYS A 211 -6.112 -19.091 -41.043 1.00 0.00 C ATOM 692 CG LYS A 211 -6.966 -20.167 -41.738 1.00 0.00 C ATOM 693 CD LYS A 211 -6.151 -21.135 -42.614 1.00 0.00 C ATOM 694 CE LYS A 211 -7.039 -22.197 -43.274 1.00 0.00 C ATOM 695 NZ LYS A 211 -7.612 -23.136 -42.285 1.00 0.00 N ATOM 0 H LYS A 211 -4.836 -17.188 -40.207 1.00 0.00 H new ATOM 0 HA LYS A 211 -4.593 -18.776 -42.538 1.00 0.00 H new ATOM 0 HB2 LYS A 211 -5.410 -19.584 -40.370 1.00 0.00 H new ATOM 0 HB3 LYS A 211 -6.765 -18.473 -40.426 1.00 0.00 H new ATOM 0 HG2 LYS A 211 -7.500 -20.740 -40.980 1.00 0.00 H new ATOM 0 HG3 LYS A 211 -7.718 -19.677 -42.356 1.00 0.00 H new ATOM 0 HD2 LYS A 211 -5.625 -20.572 -43.385 1.00 0.00 H new ATOM 0 HD3 LYS A 211 -5.392 -21.625 -42.004 1.00 0.00 H new ATOM 0 HE2 LYS A 211 -7.846 -21.707 -43.818 1.00 0.00 H new ATOM 0 HE3 LYS A 211 -6.454 -22.754 -44.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 211 -8.107 -23.904 -42.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 211 -6.849 -23.535 -41.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 211 -8.284 -22.629 -41.674 1.00 0.00 H new ATOM 709 N GLN A 212 -7.071 -16.577 -42.683 1.00 0.00 N ATOM 710 CA GLN A 212 -7.967 -15.878 -43.615 1.00 0.00 C ATOM 711 C GLN A 212 -7.202 -15.043 -44.654 1.00 0.00 C ATOM 712 O GLN A 212 -7.591 -15.035 -45.822 1.00 0.00 O ATOM 713 CB GLN A 212 -8.963 -15.005 -42.838 1.00 0.00 C ATOM 714 CG GLN A 212 -10.046 -15.815 -42.105 1.00 0.00 C ATOM 715 CD GLN A 212 -11.044 -16.461 -43.064 1.00 0.00 C ATOM 716 OE1 GLN A 212 -10.879 -17.587 -43.516 1.00 0.00 O ATOM 717 NE2 GLN A 212 -12.115 -15.781 -43.417 1.00 0.00 N ATOM 0 H GLN A 212 -7.163 -16.264 -41.717 1.00 0.00 H new ATOM 0 HA GLN A 212 -8.516 -16.639 -44.170 1.00 0.00 H new ATOM 0 HB2 GLN A 212 -8.417 -14.403 -42.112 1.00 0.00 H new ATOM 0 HB3 GLN A 212 -9.444 -14.313 -43.529 1.00 0.00 H new ATOM 0 HG2 GLN A 212 -9.571 -16.590 -41.504 1.00 0.00 H new ATOM 0 HG3 GLN A 212 -10.580 -15.161 -41.416 1.00 0.00 H new ATOM 0 HE21 GLN A 212 -12.267 -14.842 -43.049 1.00 0.00 H new ATOM 0 HE22 GLN A 212 -12.793 -16.193 -44.058 1.00 0.00 H new ATOM 726 N GLU A 213 -6.093 -14.397 -44.278 1.00 0.00 N ATOM 727 CA GLU A 213 -5.227 -13.665 -45.211 1.00 0.00 C ATOM 728 C GLU A 213 -4.699 -14.623 -46.288 1.00 0.00 C ATOM 729 O GLU A 213 -4.867 -14.357 -47.479 1.00 0.00 O ATOM 730 CB GLU A 213 -4.096 -12.966 -44.431 1.00 0.00 C ATOM 731 CG GLU A 213 -3.044 -12.267 -45.308 1.00 0.00 C ATOM 732 CD GLU A 213 -1.856 -13.174 -45.666 1.00 0.00 C ATOM 733 OE1 GLU A 213 -1.048 -13.470 -44.754 1.00 0.00 O ATOM 734 OE2 GLU A 213 -1.734 -13.547 -46.857 1.00 0.00 O ATOM 0 H GLU A 213 -5.768 -14.367 -43.312 1.00 0.00 H new ATOM 0 HA GLU A 213 -5.794 -12.887 -45.722 1.00 0.00 H new ATOM 0 HB2 GLU A 213 -4.538 -12.229 -43.761 1.00 0.00 H new ATOM 0 HB3 GLU A 213 -3.595 -13.705 -43.806 1.00 0.00 H new ATOM 0 HG2 GLU A 213 -3.518 -11.920 -46.226 1.00 0.00 H new ATOM 0 HG3 GLU A 213 -2.675 -11.384 -44.787 1.00 0.00 H new ATOM 741 N THR A 214 -4.125 -15.764 -45.885 1.00 0.00 N ATOM 742 CA THR A 214 -3.645 -16.799 -46.815 1.00 0.00 C ATOM 743 C THR A 214 -4.786 -17.348 -47.678 1.00 0.00 C ATOM 744 O THR A 214 -4.604 -17.525 -48.883 1.00 0.00 O ATOM 745 CB THR A 214 -2.944 -17.940 -46.056 1.00 0.00 C ATOM 746 OG1 THR A 214 -1.804 -17.426 -45.399 1.00 0.00 O ATOM 747 CG2 THR A 214 -2.446 -19.063 -46.969 1.00 0.00 C ATOM 0 H THR A 214 -3.979 -15.998 -44.903 1.00 0.00 H new ATOM 0 HA THR A 214 -2.918 -16.331 -47.479 1.00 0.00 H new ATOM 0 HB THR A 214 -3.687 -18.348 -45.371 1.00 0.00 H new ATOM 0 HG1 THR A 214 -2.074 -17.006 -44.556 1.00 0.00 H new ATOM 0 HG21 THR A 214 -1.963 -19.833 -46.368 1.00 0.00 H new ATOM 0 HG22 THR A 214 -3.290 -19.497 -47.505 1.00 0.00 H new ATOM 0 HG23 THR A 214 -1.730 -18.659 -47.685 1.00 0.00 H new ATOM 755 N LYS A 215 -5.975 -17.587 -47.103 1.00 0.00 N ATOM 756 CA LYS A 215 -7.155 -18.082 -47.832 1.00 0.00 C ATOM 757 C LYS A 215 -7.591 -17.107 -48.932 1.00 0.00 C ATOM 758 O LYS A 215 -7.736 -17.513 -50.083 1.00 0.00 O ATOM 759 CB LYS A 215 -8.289 -18.368 -46.828 1.00 0.00 C ATOM 760 CG LYS A 215 -9.512 -19.081 -47.426 1.00 0.00 C ATOM 761 CD LYS A 215 -9.193 -20.501 -47.917 1.00 0.00 C ATOM 762 CE LYS A 215 -10.486 -21.226 -48.299 1.00 0.00 C ATOM 763 NZ LYS A 215 -10.209 -22.610 -48.736 1.00 0.00 N ATOM 0 H LYS A 215 -6.147 -17.441 -46.108 1.00 0.00 H new ATOM 0 HA LYS A 215 -6.896 -19.012 -48.339 1.00 0.00 H new ATOM 0 HB2 LYS A 215 -7.892 -18.977 -46.016 1.00 0.00 H new ATOM 0 HB3 LYS A 215 -8.614 -17.425 -46.389 1.00 0.00 H new ATOM 0 HG2 LYS A 215 -10.301 -19.130 -46.676 1.00 0.00 H new ATOM 0 HG3 LYS A 215 -9.899 -18.492 -48.258 1.00 0.00 H new ATOM 0 HD2 LYS A 215 -8.524 -20.456 -48.777 1.00 0.00 H new ATOM 0 HD3 LYS A 215 -8.672 -21.056 -47.137 1.00 0.00 H new ATOM 0 HE2 LYS A 215 -11.165 -21.239 -47.446 1.00 0.00 H new ATOM 0 HE3 LYS A 215 -10.989 -20.682 -49.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 215 -11.102 -23.079 -48.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 215 -9.580 -22.593 -49.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 215 -9.750 -23.133 -47.963 1.00 0.00 H new ATOM 777 N LEU A 216 -7.751 -15.820 -48.609 1.00 0.00 N ATOM 778 CA LEU A 216 -8.114 -14.786 -49.586 1.00 0.00 C ATOM 779 C LEU A 216 -7.017 -14.621 -50.650 1.00 0.00 C ATOM 780 O LEU A 216 -7.328 -14.548 -51.840 1.00 0.00 O ATOM 781 CB LEU A 216 -8.455 -13.478 -48.849 1.00 0.00 C ATOM 782 CG LEU A 216 -9.052 -12.394 -49.775 1.00 0.00 C ATOM 783 CD1 LEU A 216 -10.052 -11.529 -49.010 1.00 0.00 C ATOM 784 CD2 LEU A 216 -7.987 -11.455 -50.350 1.00 0.00 C ATOM 0 H LEU A 216 -7.632 -15.464 -47.661 1.00 0.00 H new ATOM 0 HA LEU A 216 -9.007 -15.091 -50.132 1.00 0.00 H new ATOM 0 HB2 LEU A 216 -9.163 -13.694 -48.049 1.00 0.00 H new ATOM 0 HB3 LEU A 216 -7.552 -13.088 -48.379 1.00 0.00 H new ATOM 0 HG LEU A 216 -9.533 -12.933 -50.591 1.00 0.00 H new ATOM 0 HD11 LEU A 216 -10.463 -10.771 -49.677 1.00 0.00 H new ATOM 0 HD12 LEU A 216 -10.860 -12.155 -48.631 1.00 0.00 H new ATOM 0 HD13 LEU A 216 -9.548 -11.043 -48.175 1.00 0.00 H new ATOM 0 HD21 LEU A 216 -8.463 -10.714 -50.992 1.00 0.00 H new ATOM 0 HD22 LEU A 216 -7.470 -10.949 -49.535 1.00 0.00 H new ATOM 0 HD23 LEU A 216 -7.269 -12.032 -50.932 1.00 0.00 H new ATOM 796 N LYS A 217 -5.739 -14.617 -50.244 1.00 0.00 N ATOM 797 CA LYS A 217 -4.584 -14.540 -51.155 1.00 0.00 C ATOM 798 C LYS A 217 -4.592 -15.701 -52.157 1.00 0.00 C ATOM 799 O LYS A 217 -4.411 -15.471 -53.350 1.00 0.00 O ATOM 800 CB LYS A 217 -3.292 -14.479 -50.323 1.00 0.00 C ATOM 801 CG LYS A 217 -2.036 -14.255 -51.177 1.00 0.00 C ATOM 802 CD LYS A 217 -0.802 -14.104 -50.277 1.00 0.00 C ATOM 803 CE LYS A 217 0.455 -13.866 -51.119 1.00 0.00 C ATOM 804 NZ LYS A 217 1.647 -13.716 -50.259 1.00 0.00 N ATOM 0 H LYS A 217 -5.473 -14.668 -49.261 1.00 0.00 H new ATOM 0 HA LYS A 217 -4.644 -13.631 -51.753 1.00 0.00 H new ATOM 0 HB2 LYS A 217 -3.375 -13.675 -49.592 1.00 0.00 H new ATOM 0 HB3 LYS A 217 -3.183 -15.408 -49.764 1.00 0.00 H new ATOM 0 HG2 LYS A 217 -1.897 -15.094 -51.859 1.00 0.00 H new ATOM 0 HG3 LYS A 217 -2.159 -13.362 -51.790 1.00 0.00 H new ATOM 0 HD2 LYS A 217 -0.948 -13.272 -49.588 1.00 0.00 H new ATOM 0 HD3 LYS A 217 -0.676 -15.001 -49.671 1.00 0.00 H new ATOM 0 HE2 LYS A 217 0.600 -14.700 -51.806 1.00 0.00 H new ATOM 0 HE3 LYS A 217 0.326 -12.971 -51.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 217 2.486 -13.556 -50.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 217 1.515 -12.906 -49.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 217 1.781 -14.581 -49.697 1.00 0.00 H new ATOM 818 N LEU A 218 -4.859 -16.928 -51.699 1.00 0.00 N ATOM 819 CA LEU A 218 -4.986 -18.122 -52.544 1.00 0.00 C ATOM 820 C LEU A 218 -6.158 -17.964 -53.527 1.00 0.00 C ATOM 821 O LEU A 218 -5.977 -18.152 -54.731 1.00 0.00 O ATOM 822 CB LEU A 218 -5.109 -19.352 -51.620 1.00 0.00 C ATOM 823 CG LEU A 218 -5.064 -20.725 -52.320 1.00 0.00 C ATOM 824 CD1 LEU A 218 -4.666 -21.798 -51.304 1.00 0.00 C ATOM 825 CD2 LEU A 218 -6.410 -21.158 -52.913 1.00 0.00 C ATOM 0 H LEU A 218 -4.996 -17.124 -50.708 1.00 0.00 H new ATOM 0 HA LEU A 218 -4.104 -18.261 -53.169 1.00 0.00 H new ATOM 0 HB2 LEU A 218 -4.304 -19.313 -50.886 1.00 0.00 H new ATOM 0 HB3 LEU A 218 -6.047 -19.277 -51.069 1.00 0.00 H new ATOM 0 HG LEU A 218 -4.345 -20.622 -53.133 1.00 0.00 H new ATOM 0 HD11 LEU A 218 -4.633 -22.770 -51.796 1.00 0.00 H new ATOM 0 HD12 LEU A 218 -3.683 -21.565 -50.895 1.00 0.00 H new ATOM 0 HD13 LEU A 218 -5.398 -21.824 -50.497 1.00 0.00 H new ATOM 0 HD21 LEU A 218 -6.301 -22.133 -53.389 1.00 0.00 H new ATOM 0 HD22 LEU A 218 -7.154 -21.223 -52.119 1.00 0.00 H new ATOM 0 HD23 LEU A 218 -6.733 -20.427 -53.654 1.00 0.00 H new ATOM 837 N MET A 219 -7.342 -17.566 -53.045 1.00 0.00 N ATOM 838 CA MET A 219 -8.518 -17.318 -53.894 1.00 0.00 C ATOM 839 C MET A 219 -8.236 -16.266 -54.983 1.00 0.00 C ATOM 840 O MET A 219 -8.686 -16.427 -56.118 1.00 0.00 O ATOM 841 CB MET A 219 -9.730 -16.918 -53.031 1.00 0.00 C ATOM 842 CG MET A 219 -10.632 -18.115 -52.703 1.00 0.00 C ATOM 843 SD MET A 219 -9.867 -19.488 -51.793 1.00 0.00 S ATOM 844 CE MET A 219 -11.242 -20.669 -51.848 1.00 0.00 C ATOM 0 H MET A 219 -7.514 -17.406 -52.052 1.00 0.00 H new ATOM 0 HA MET A 219 -8.753 -18.248 -54.411 1.00 0.00 H new ATOM 0 HB2 MET A 219 -9.379 -16.465 -52.104 1.00 0.00 H new ATOM 0 HB3 MET A 219 -10.312 -16.160 -53.555 1.00 0.00 H new ATOM 0 HG2 MET A 219 -11.480 -17.753 -52.122 1.00 0.00 H new ATOM 0 HG3 MET A 219 -11.031 -18.507 -53.639 1.00 0.00 H new ATOM 0 HE1 MET A 219 -10.955 -21.586 -51.333 1.00 0.00 H new ATOM 0 HE2 MET A 219 -12.114 -20.235 -51.359 1.00 0.00 H new ATOM 0 HE3 MET A 219 -11.485 -20.897 -52.886 1.00 0.00 H new ATOM 854 N ALA A 220 -7.464 -15.218 -54.672 1.00 0.00 N ATOM 855 CA ALA A 220 -7.055 -14.197 -55.639 1.00 0.00 C ATOM 856 C ALA A 220 -6.021 -14.747 -56.648 1.00 0.00 C ATOM 857 O ALA A 220 -6.156 -14.526 -57.854 1.00 0.00 O ATOM 858 CB ALA A 220 -6.509 -12.987 -54.869 1.00 0.00 C ATOM 0 H ALA A 220 -7.103 -15.055 -53.732 1.00 0.00 H new ATOM 0 HA ALA A 220 -7.919 -13.891 -56.229 1.00 0.00 H new ATOM 0 HB1 ALA A 220 -6.199 -12.216 -55.575 1.00 0.00 H new ATOM 0 HB2 ALA A 220 -7.286 -12.590 -54.216 1.00 0.00 H new ATOM 0 HB3 ALA A 220 -5.653 -13.294 -54.268 1.00 0.00 H new ATOM 864 N ARG A 221 -5.012 -15.496 -56.173 1.00 0.00 N ATOM 865 CA ARG A 221 -3.944 -16.128 -56.978 1.00 0.00 C ATOM 866 C ARG A 221 -4.494 -17.068 -58.058 1.00 0.00 C ATOM 867 O ARG A 221 -4.033 -17.033 -59.199 1.00 0.00 O ATOM 868 CB ARG A 221 -3.003 -16.890 -56.025 1.00 0.00 C ATOM 869 CG ARG A 221 -1.692 -17.360 -56.677 1.00 0.00 C ATOM 870 CD ARG A 221 -0.991 -18.435 -55.833 1.00 0.00 C ATOM 871 NE ARG A 221 -0.791 -18.018 -54.431 1.00 0.00 N ATOM 872 CZ ARG A 221 -0.508 -18.818 -53.416 1.00 0.00 C ATOM 873 NH1 ARG A 221 -0.292 -20.099 -53.566 1.00 0.00 N ATOM 874 NH2 ARG A 221 -0.434 -18.341 -52.204 1.00 0.00 N ATOM 0 H ARG A 221 -4.911 -15.688 -55.176 1.00 0.00 H new ATOM 0 HA ARG A 221 -3.402 -15.344 -57.507 1.00 0.00 H new ATOM 0 HB2 ARG A 221 -2.764 -16.248 -55.177 1.00 0.00 H new ATOM 0 HB3 ARG A 221 -3.530 -17.758 -55.629 1.00 0.00 H new ATOM 0 HG2 ARG A 221 -1.901 -17.757 -57.670 1.00 0.00 H new ATOM 0 HG3 ARG A 221 -1.025 -16.508 -56.808 1.00 0.00 H new ATOM 0 HD2 ARG A 221 -1.582 -19.351 -55.855 1.00 0.00 H new ATOM 0 HD3 ARG A 221 -0.025 -18.669 -56.280 1.00 0.00 H new ATOM 0 HE ARG A 221 -0.879 -17.023 -54.226 1.00 0.00 H new ATOM 0 HH11 ARG A 221 -0.339 -20.519 -54.494 1.00 0.00 H new ATOM 0 HH12 ARG A 221 -0.077 -20.678 -52.755 1.00 0.00 H new ATOM 0 HH21 ARG A 221 -0.595 -17.348 -52.036 1.00 0.00 H new ATOM 0 HH22 ARG A 221 -0.216 -18.961 -51.424 1.00 0.00 H new ATOM 888 N TYR A 222 -5.486 -17.884 -57.698 1.00 0.00 N ATOM 889 CA TYR A 222 -6.159 -18.842 -58.589 1.00 0.00 C ATOM 890 C TYR A 222 -7.452 -18.281 -59.228 1.00 0.00 C ATOM 891 O TYR A 222 -8.172 -19.007 -59.918 1.00 0.00 O ATOM 892 CB TYR A 222 -6.401 -20.150 -57.815 1.00 0.00 C ATOM 893 CG TYR A 222 -5.129 -20.931 -57.524 1.00 0.00 C ATOM 894 CD1 TYR A 222 -4.539 -21.707 -58.541 1.00 0.00 C ATOM 895 CD2 TYR A 222 -4.536 -20.889 -56.247 1.00 0.00 C ATOM 896 CE1 TYR A 222 -3.364 -22.439 -58.282 1.00 0.00 C ATOM 897 CE2 TYR A 222 -3.362 -21.621 -55.981 1.00 0.00 C ATOM 898 CZ TYR A 222 -2.773 -22.401 -57.001 1.00 0.00 C ATOM 899 OH TYR A 222 -1.642 -23.120 -56.757 1.00 0.00 O ATOM 0 H TYR A 222 -5.858 -17.900 -56.748 1.00 0.00 H new ATOM 0 HA TYR A 222 -5.506 -19.042 -59.438 1.00 0.00 H new ATOM 0 HB2 TYR A 222 -6.898 -19.918 -56.873 1.00 0.00 H new ATOM 0 HB3 TYR A 222 -7.081 -20.780 -58.388 1.00 0.00 H new ATOM 0 HD1 TYR A 222 -4.989 -21.741 -59.522 1.00 0.00 H new ATOM 0 HD2 TYR A 222 -4.984 -20.292 -55.467 1.00 0.00 H new ATOM 0 HE1 TYR A 222 -2.914 -23.031 -59.066 1.00 0.00 H new ATOM 0 HE2 TYR A 222 -2.913 -21.586 -54.999 1.00 0.00 H new ATOM 0 HH TYR A 222 -1.362 -22.985 -55.828 1.00 0.00 H new ATOM 909 N GLY A 223 -7.745 -16.991 -59.025 1.00 0.00 N ATOM 910 CA GLY A 223 -8.909 -16.286 -59.574 1.00 0.00 C ATOM 911 C GLY A 223 -8.630 -15.607 -60.923 1.00 0.00 C ATOM 912 O GLY A 223 -7.560 -15.775 -61.521 1.00 0.00 O ATOM 0 H GLY A 223 -7.156 -16.387 -58.452 1.00 0.00 H new ATOM 0 HA2 GLY A 223 -9.729 -16.993 -59.694 1.00 0.00 H new ATOM 0 HA3 GLY A 223 -9.240 -15.533 -58.858 1.00 0.00 H new ATOM 916 N ARG A 224 -9.607 -14.831 -61.414 1.00 0.00 N ATOM 917 CA ARG A 224 -9.520 -14.080 -62.683 1.00 0.00 C ATOM 918 C ARG A 224 -8.404 -13.018 -62.639 1.00 0.00 C ATOM 919 O ARG A 224 -8.083 -12.495 -61.569 1.00 0.00 O ATOM 920 CB ARG A 224 -10.898 -13.457 -62.991 1.00 0.00 C ATOM 921 CG ARG A 224 -11.133 -13.254 -64.496 1.00 0.00 C ATOM 922 CD ARG A 224 -12.529 -12.669 -64.758 1.00 0.00 C ATOM 923 NE ARG A 224 -12.914 -12.781 -66.178 1.00 0.00 N ATOM 924 CZ ARG A 224 -12.533 -12.002 -67.178 1.00 0.00 C ATOM 925 NH1 ARG A 224 -11.725 -10.985 -67.021 1.00 0.00 N ATOM 926 NH2 ARG A 224 -12.967 -12.237 -68.387 1.00 0.00 N ATOM 0 H ARG A 224 -10.498 -14.703 -60.934 1.00 0.00 H new ATOM 0 HA ARG A 224 -9.253 -14.764 -63.489 1.00 0.00 H new ATOM 0 HB2 ARG A 224 -11.681 -14.100 -62.588 1.00 0.00 H new ATOM 0 HB3 ARG A 224 -10.980 -12.497 -62.482 1.00 0.00 H new ATOM 0 HG2 ARG A 224 -10.372 -12.586 -64.900 1.00 0.00 H new ATOM 0 HG3 ARG A 224 -11.030 -14.206 -65.016 1.00 0.00 H new ATOM 0 HD2 ARG A 224 -13.262 -13.188 -64.141 1.00 0.00 H new ATOM 0 HD3 ARG A 224 -12.546 -11.621 -64.459 1.00 0.00 H new ATOM 0 HE ARG A 224 -13.546 -13.546 -66.416 1.00 0.00 H new ATOM 0 HH11 ARG A 224 -11.359 -10.763 -66.095 1.00 0.00 H new ATOM 0 HH12 ARG A 224 -11.461 -10.415 -67.824 1.00 0.00 H new ATOM 0 HH21 ARG A 224 -13.598 -13.019 -68.559 1.00 0.00 H new ATOM 0 HH22 ARG A 224 -12.675 -11.638 -69.159 1.00 0.00 H new ATOM 940 N LEU A 225 -7.832 -12.684 -63.799 1.00 0.00 N ATOM 941 CA LEU A 225 -6.741 -11.708 -63.946 1.00 0.00 C ATOM 942 C LEU A 225 -6.949 -10.808 -65.179 1.00 0.00 C ATOM 943 O LEU A 225 -7.388 -11.273 -66.234 1.00 0.00 O ATOM 944 CB LEU A 225 -5.415 -12.497 -64.025 1.00 0.00 C ATOM 945 CG LEU A 225 -4.132 -11.647 -64.120 1.00 0.00 C ATOM 946 CD1 LEU A 225 -3.906 -10.786 -62.875 1.00 0.00 C ATOM 947 CD2 LEU A 225 -2.920 -12.563 -64.289 1.00 0.00 C ATOM 0 H LEU A 225 -8.120 -13.094 -64.687 1.00 0.00 H new ATOM 0 HA LEU A 225 -6.720 -11.035 -63.089 1.00 0.00 H new ATOM 0 HB2 LEU A 225 -5.341 -13.135 -63.144 1.00 0.00 H new ATOM 0 HB3 LEU A 225 -5.457 -13.155 -64.893 1.00 0.00 H new ATOM 0 HG LEU A 225 -4.254 -10.987 -64.979 1.00 0.00 H new ATOM 0 HD11 LEU A 225 -2.990 -10.208 -62.994 1.00 0.00 H new ATOM 0 HD12 LEU A 225 -4.749 -10.107 -62.744 1.00 0.00 H new ATOM 0 HD13 LEU A 225 -3.818 -11.429 -61.999 1.00 0.00 H new ATOM 0 HD21 LEU A 225 -2.015 -11.960 -64.356 1.00 0.00 H new ATOM 0 HD22 LEU A 225 -2.848 -13.232 -63.432 1.00 0.00 H new ATOM 0 HD23 LEU A 225 -3.032 -13.151 -65.200 1.00 0.00 H new ATOM 959 N ALA A 226 -6.621 -9.521 -65.034 1.00 0.00 N ATOM 960 CA ALA A 226 -6.741 -8.484 -66.068 1.00 0.00 C ATOM 961 C ALA A 226 -5.591 -7.444 -65.997 1.00 0.00 C ATOM 962 O ALA A 226 -5.753 -6.286 -66.389 1.00 0.00 O ATOM 963 CB ALA A 226 -8.131 -7.842 -65.926 1.00 0.00 C ATOM 0 H ALA A 226 -6.249 -9.156 -64.157 1.00 0.00 H new ATOM 0 HA ALA A 226 -6.645 -8.932 -67.057 1.00 0.00 H new ATOM 0 HB1 ALA A 226 -8.252 -7.066 -66.681 1.00 0.00 H new ATOM 0 HB2 ALA A 226 -8.899 -8.603 -66.062 1.00 0.00 H new ATOM 0 HB3 ALA A 226 -8.229 -7.401 -64.934 1.00 0.00 H new ATOM 969 N ASP A 227 -4.425 -7.844 -65.475 1.00 0.00 N ATOM 970 CA ASP A 227 -3.232 -7.002 -65.282 1.00 0.00 C ATOM 971 C ASP A 227 -1.936 -7.762 -65.612 1.00 0.00 C ATOM 972 O ASP A 227 -1.802 -8.963 -65.331 1.00 0.00 O ATOM 973 CB ASP A 227 -3.183 -6.495 -63.830 1.00 0.00 C ATOM 974 CG ASP A 227 -4.341 -5.549 -63.490 1.00 0.00 C ATOM 975 OD1 ASP A 227 -4.217 -4.338 -63.795 1.00 0.00 O ATOM 976 OD2 ASP A 227 -5.345 -6.031 -62.911 1.00 0.00 O ATOM 0 H ASP A 227 -4.278 -8.803 -65.161 1.00 0.00 H new ATOM 0 HA ASP A 227 -3.306 -6.158 -65.968 1.00 0.00 H new ATOM 0 HB2 ASP A 227 -3.206 -7.348 -63.152 1.00 0.00 H new ATOM 0 HB3 ASP A 227 -2.238 -5.979 -63.662 1.00 0.00 H new TER 981 ASP A 227 HETATM 982 ZN ZN A 301 -7.914 -9.860 -40.323 1.00 0.00 ZN