USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=15 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 -27:sc= 0.0609 USER MOD Single : A 169 THR OG1 : rot 180:sc= 0 USER MOD Single : A 170 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0116) 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=-0.036) USER MOD Single : A 177 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 180 MET CE :methyl 178:sc= 0 (180deg=-0.00648) 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=-0.037) USER MOD Single : A 193 THR OG1 : rot -57:sc= 0.753 USER MOD Single : A 195 ASN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 199 MET CE :methyl 176:sc= 0 (180deg=-0.0201) USER MOD Single : A 201 GLN : amide:sc= -0.0423 X(o=-0.042,f=-0.042) USER MOD Single : A 202 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.16) USER MOD Single : A 204 TYR OH : rot -12:sc= 0.741 USER MOD Single : A 207 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 208 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00799) USER MOD Single : A 211 LYS NZ :NH3+ -109:sc= -0.0882 (180deg=-1.4!) USER MOD Single : A 212 GLN : amide:sc= -0.134 K(o=-0.13,f=-3!) USER MOD Single : A 214 THR OG1 : rot 80:sc= 0.0543 USER MOD Single : A 215 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.063) USER MOD Single : A 217 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0104) USER MOD Single : A 219 MET CE :methyl 179:sc= 0 (180deg=-0.00193) USER MOD Single : A 222 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 168 4.536 14.324 -8.318 1.00 0.00 N ATOM 2 CA SER A 168 3.388 13.548 -8.809 1.00 0.00 C ATOM 3 C SER A 168 3.748 12.489 -9.868 1.00 0.00 C ATOM 4 O SER A 168 2.872 11.789 -10.379 1.00 0.00 O ATOM 5 CB SER A 168 2.293 14.500 -9.318 1.00 0.00 C ATOM 6 OG SER A 168 2.770 15.361 -10.346 1.00 0.00 O ATOM 0 HA SER A 168 3.013 12.978 -7.959 1.00 0.00 H new ATOM 0 HB2 SER A 168 1.452 13.917 -9.694 1.00 0.00 H new ATOM 0 HB3 SER A 168 1.919 15.099 -8.488 1.00 0.00 H new ATOM 0 HG SER A 168 3.734 15.499 -10.236 1.00 0.00 H new ATOM 12 N THR A 169 5.036 12.346 -10.200 1.00 0.00 N ATOM 13 CA THR A 169 5.549 11.374 -11.193 1.00 0.00 C ATOM 14 C THR A 169 5.333 9.909 -10.766 1.00 0.00 C ATOM 15 O THR A 169 5.208 9.028 -11.621 1.00 0.00 O ATOM 16 CB THR A 169 7.046 11.630 -11.475 1.00 0.00 C ATOM 17 OG1 THR A 169 7.249 12.969 -11.890 1.00 0.00 O ATOM 18 CG2 THR A 169 7.629 10.767 -12.598 1.00 0.00 C ATOM 0 H THR A 169 5.774 12.912 -9.781 1.00 0.00 H new ATOM 0 HA THR A 169 4.973 11.527 -12.106 1.00 0.00 H new ATOM 0 HB THR A 169 7.542 11.389 -10.535 1.00 0.00 H new ATOM 0 HG1 THR A 169 8.202 13.117 -12.063 1.00 0.00 H new ATOM 0 HG21 THR A 169 8.683 11.008 -12.732 1.00 0.00 H new ATOM 0 HG22 THR A 169 7.528 9.714 -12.337 1.00 0.00 H new ATOM 0 HG23 THR A 169 7.091 10.964 -13.525 1.00 0.00 H new ATOM 26 N LYS A 170 5.270 9.639 -9.452 1.00 0.00 N ATOM 27 CA LYS A 170 5.104 8.299 -8.849 1.00 0.00 C ATOM 28 C LYS A 170 4.040 8.289 -7.735 1.00 0.00 C ATOM 29 O LYS A 170 4.315 7.916 -6.593 1.00 0.00 O ATOM 30 CB LYS A 170 6.471 7.756 -8.373 1.00 0.00 C ATOM 31 CG LYS A 170 7.485 7.566 -9.517 1.00 0.00 C ATOM 32 CD LYS A 170 8.819 6.959 -9.048 1.00 0.00 C ATOM 33 CE LYS A 170 8.704 5.545 -8.459 1.00 0.00 C ATOM 34 NZ LYS A 170 8.223 4.566 -9.458 1.00 0.00 N ATOM 0 H LYS A 170 5.336 10.375 -8.749 1.00 0.00 H new ATOM 0 HA LYS A 170 4.727 7.623 -9.617 1.00 0.00 H new ATOM 0 HB2 LYS A 170 6.890 8.442 -7.636 1.00 0.00 H new ATOM 0 HB3 LYS A 170 6.319 6.801 -7.870 1.00 0.00 H new ATOM 0 HG2 LYS A 170 7.047 6.921 -10.279 1.00 0.00 H new ATOM 0 HG3 LYS A 170 7.677 8.530 -9.988 1.00 0.00 H new ATOM 0 HD2 LYS A 170 9.508 6.932 -9.892 1.00 0.00 H new ATOM 0 HD3 LYS A 170 9.259 7.616 -8.298 1.00 0.00 H new ATOM 0 HE2 LYS A 170 9.677 5.229 -8.081 1.00 0.00 H new ATOM 0 HE3 LYS A 170 8.022 5.561 -7.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 8.208 3.616 -9.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 7.263 4.824 -9.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 8.859 4.568 -10.280 1.00 0.00 H new ATOM 48 N VAL A 171 2.818 8.717 -8.067 1.00 0.00 N ATOM 49 CA VAL A 171 1.659 8.771 -7.150 1.00 0.00 C ATOM 50 C VAL A 171 0.380 8.282 -7.851 1.00 0.00 C ATOM 51 O VAL A 171 0.278 8.351 -9.077 1.00 0.00 O ATOM 52 CB VAL A 171 1.526 10.191 -6.551 1.00 0.00 C ATOM 53 CG1 VAL A 171 0.762 11.177 -7.443 1.00 0.00 C ATOM 54 CG2 VAL A 171 0.876 10.165 -5.165 1.00 0.00 C ATOM 0 H VAL A 171 2.594 9.046 -9.006 1.00 0.00 H new ATOM 0 HA VAL A 171 1.821 8.088 -6.316 1.00 0.00 H new ATOM 0 HB VAL A 171 2.553 10.549 -6.473 1.00 0.00 H new ATOM 0 HG11 VAL A 171 0.713 12.149 -6.952 1.00 0.00 H new ATOM 0 HG12 VAL A 171 1.278 11.279 -8.398 1.00 0.00 H new ATOM 0 HG13 VAL A 171 -0.248 10.805 -7.614 1.00 0.00 H new ATOM 0 HG21 VAL A 171 0.801 11.182 -4.779 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -0.121 9.730 -5.239 1.00 0.00 H new ATOM 0 HG23 VAL A 171 1.485 9.564 -4.489 1.00 0.00 H new ATOM 64 N GLU A 172 -0.591 7.762 -7.087 1.00 0.00 N ATOM 65 CA GLU A 172 -1.871 7.187 -7.573 1.00 0.00 C ATOM 66 C GLU A 172 -1.736 6.011 -8.581 1.00 0.00 C ATOM 67 O GLU A 172 -2.725 5.578 -9.180 1.00 0.00 O ATOM 68 CB GLU A 172 -2.821 8.312 -8.060 1.00 0.00 C ATOM 69 CG GLU A 172 -3.743 8.861 -6.961 1.00 0.00 C ATOM 70 CD GLU A 172 -2.982 9.574 -5.837 1.00 0.00 C ATOM 71 OE1 GLU A 172 -2.720 10.792 -5.983 1.00 0.00 O ATOM 72 OE2 GLU A 172 -2.666 8.903 -4.825 1.00 0.00 O ATOM 0 H GLU A 172 -0.511 7.725 -6.071 1.00 0.00 H new ATOM 0 HA GLU A 172 -2.328 6.703 -6.710 1.00 0.00 H new ATOM 0 HB2 GLU A 172 -2.224 9.130 -8.463 1.00 0.00 H new ATOM 0 HB3 GLU A 172 -3.432 7.930 -8.878 1.00 0.00 H new ATOM 0 HG2 GLU A 172 -4.455 9.555 -7.406 1.00 0.00 H new ATOM 0 HG3 GLU A 172 -4.321 8.040 -6.536 1.00 0.00 H new ATOM 79 N ALA A 173 -0.529 5.464 -8.764 1.00 0.00 N ATOM 80 CA ALA A 173 -0.248 4.338 -9.660 1.00 0.00 C ATOM 81 C ALA A 173 -0.911 3.019 -9.200 1.00 0.00 C ATOM 82 O ALA A 173 -1.124 2.792 -8.003 1.00 0.00 O ATOM 83 CB ALA A 173 1.276 4.185 -9.766 1.00 0.00 C ATOM 0 H ALA A 173 0.302 5.802 -8.279 1.00 0.00 H new ATOM 0 HA ALA A 173 -0.681 4.553 -10.637 1.00 0.00 H new ATOM 0 HB1 ALA A 173 1.513 3.352 -10.428 1.00 0.00 H new ATOM 0 HB2 ALA A 173 1.707 5.102 -10.168 1.00 0.00 H new ATOM 0 HB3 ALA A 173 1.692 3.992 -8.777 1.00 0.00 H new ATOM 89 N LEU A 174 -1.205 2.131 -10.158 1.00 0.00 N ATOM 90 CA LEU A 174 -1.819 0.813 -9.937 1.00 0.00 C ATOM 91 C LEU A 174 -1.386 -0.177 -11.036 1.00 0.00 C ATOM 92 O LEU A 174 -1.527 0.112 -12.227 1.00 0.00 O ATOM 93 CB LEU A 174 -3.354 0.994 -9.913 1.00 0.00 C ATOM 94 CG LEU A 174 -4.169 -0.299 -9.715 1.00 0.00 C ATOM 95 CD1 LEU A 174 -3.881 -0.977 -8.374 1.00 0.00 C ATOM 96 CD2 LEU A 174 -5.664 0.013 -9.779 1.00 0.00 C ATOM 0 H LEU A 174 -1.016 2.316 -11.143 1.00 0.00 H new ATOM 0 HA LEU A 174 -1.488 0.397 -8.985 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -3.608 1.690 -9.113 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -3.663 1.458 -10.850 1.00 0.00 H new ATOM 0 HG LEU A 174 -3.873 -0.978 -10.515 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -4.482 -1.882 -8.288 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -2.824 -1.236 -8.317 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -4.132 -0.296 -7.561 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -6.234 -0.906 -9.638 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -5.921 0.724 -8.994 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -5.904 0.444 -10.751 1.00 0.00 H new ATOM 108 N HIS A 175 -0.865 -1.347 -10.641 1.00 0.00 N ATOM 109 CA HIS A 175 -0.423 -2.407 -11.568 1.00 0.00 C ATOM 110 C HIS A 175 -1.594 -3.140 -12.253 1.00 0.00 C ATOM 111 O HIS A 175 -1.493 -3.525 -13.420 1.00 0.00 O ATOM 112 CB HIS A 175 0.469 -3.395 -10.795 1.00 0.00 C ATOM 113 CG HIS A 175 1.049 -4.487 -11.660 1.00 0.00 C ATOM 114 ND1 HIS A 175 0.616 -5.799 -11.713 1.00 0.00 N ATOM 115 CD2 HIS A 175 2.087 -4.355 -12.542 1.00 0.00 C ATOM 116 CE1 HIS A 175 1.376 -6.455 -12.611 1.00 0.00 C ATOM 117 NE2 HIS A 175 2.276 -5.594 -13.126 1.00 0.00 N ATOM 0 H HIS A 175 -0.736 -1.590 -9.659 1.00 0.00 H new ATOM 0 HA HIS A 175 0.141 -1.938 -12.375 1.00 0.00 H new ATOM 0 HB2 HIS A 175 1.283 -2.845 -10.324 1.00 0.00 H new ATOM 0 HB3 HIS A 175 -0.115 -3.849 -9.994 1.00 0.00 H new ATOM 0 HD2 HIS A 175 2.650 -3.456 -12.743 1.00 0.00 H new ATOM 0 HE1 HIS A 175 1.280 -7.498 -12.875 1.00 0.00 H new ATOM 0 HE2 HIS A 175 2.979 -5.819 -13.829 1.00 0.00 H new ATOM 126 N GLN A 176 -2.705 -3.327 -11.532 1.00 0.00 N ATOM 127 CA GLN A 176 -3.923 -3.990 -12.020 1.00 0.00 C ATOM 128 C GLN A 176 -4.669 -3.160 -13.085 1.00 0.00 C ATOM 129 O GLN A 176 -4.502 -1.941 -13.185 1.00 0.00 O ATOM 130 CB GLN A 176 -4.859 -4.284 -10.832 1.00 0.00 C ATOM 131 CG GLN A 176 -4.257 -5.281 -9.827 1.00 0.00 C ATOM 132 CD GLN A 176 -5.237 -5.611 -8.699 1.00 0.00 C ATOM 133 OE1 GLN A 176 -5.626 -4.764 -7.905 1.00 0.00 O ATOM 134 NE2 GLN A 176 -5.679 -6.846 -8.577 1.00 0.00 N ATOM 0 H GLN A 176 -2.786 -3.013 -10.565 1.00 0.00 H new ATOM 0 HA GLN A 176 -3.617 -4.919 -12.500 1.00 0.00 H new ATOM 0 HB2 GLN A 176 -5.088 -3.351 -10.317 1.00 0.00 H new ATOM 0 HB3 GLN A 176 -5.802 -4.680 -11.209 1.00 0.00 H new ATOM 0 HG2 GLN A 176 -3.979 -6.198 -10.347 1.00 0.00 H new ATOM 0 HG3 GLN A 176 -3.343 -4.864 -9.404 1.00 0.00 H new ATOM 0 HE21 GLN A 176 -5.367 -7.566 -9.229 1.00 0.00 H new ATOM 0 HE22 GLN A 176 -6.333 -7.082 -7.831 1.00 0.00 H new ATOM 143 N ASN A 177 -5.528 -3.827 -13.862 1.00 0.00 N ATOM 144 CA ASN A 177 -6.365 -3.246 -14.919 1.00 0.00 C ATOM 145 C ASN A 177 -7.719 -3.982 -15.046 1.00 0.00 C ATOM 146 O ASN A 177 -7.931 -5.034 -14.432 1.00 0.00 O ATOM 147 CB ASN A 177 -5.577 -3.241 -16.249 1.00 0.00 C ATOM 148 CG ASN A 177 -5.377 -4.615 -16.885 1.00 0.00 C ATOM 149 OD1 ASN A 177 -5.162 -5.626 -16.229 1.00 0.00 O ATOM 150 ND2 ASN A 177 -5.431 -4.699 -18.195 1.00 0.00 N ATOM 0 H ASN A 177 -5.666 -4.833 -13.768 1.00 0.00 H new ATOM 0 HA ASN A 177 -6.607 -2.216 -14.655 1.00 0.00 H new ATOM 0 HB2 ASN A 177 -6.098 -2.600 -16.960 1.00 0.00 H new ATOM 0 HB3 ASN A 177 -4.599 -2.793 -16.073 1.00 0.00 H new ATOM 0 HD21 ASN A 177 -5.295 -5.599 -18.654 1.00 0.00 H new ATOM 0 HD22 ASN A 177 -5.609 -3.864 -18.753 1.00 0.00 H new ATOM 157 N ARG A 178 -8.642 -3.430 -15.848 1.00 0.00 N ATOM 158 CA ARG A 178 -9.980 -4.005 -16.099 1.00 0.00 C ATOM 159 C ARG A 178 -9.907 -5.369 -16.803 1.00 0.00 C ATOM 160 O ARG A 178 -9.008 -5.631 -17.604 1.00 0.00 O ATOM 161 CB ARG A 178 -10.832 -3.010 -16.909 1.00 0.00 C ATOM 162 CG ARG A 178 -11.276 -1.816 -16.044 1.00 0.00 C ATOM 163 CD ARG A 178 -12.076 -0.778 -16.843 1.00 0.00 C ATOM 164 NE ARG A 178 -11.229 -0.032 -17.794 1.00 0.00 N ATOM 165 CZ ARG A 178 -10.489 1.033 -17.526 1.00 0.00 C ATOM 166 NH1 ARG A 178 -10.415 1.564 -16.333 1.00 0.00 N ATOM 167 NH2 ARG A 178 -9.787 1.599 -18.470 1.00 0.00 N ATOM 0 H ARG A 178 -8.481 -2.557 -16.350 1.00 0.00 H new ATOM 0 HA ARG A 178 -10.454 -4.180 -15.133 1.00 0.00 H new ATOM 0 HB2 ARG A 178 -10.259 -2.649 -17.763 1.00 0.00 H new ATOM 0 HB3 ARG A 178 -11.710 -3.520 -17.306 1.00 0.00 H new ATOM 0 HG2 ARG A 178 -11.883 -2.178 -15.214 1.00 0.00 H new ATOM 0 HG3 ARG A 178 -10.397 -1.338 -15.611 1.00 0.00 H new ATOM 0 HD2 ARG A 178 -12.876 -1.279 -17.388 1.00 0.00 H new ATOM 0 HD3 ARG A 178 -12.549 -0.078 -16.154 1.00 0.00 H new ATOM 0 HE ARG A 178 -11.212 -0.371 -18.756 1.00 0.00 H new ATOM 0 HH11 ARG A 178 -10.942 1.157 -15.560 1.00 0.00 H new ATOM 0 HH12 ARG A 178 -9.831 2.385 -16.176 1.00 0.00 H new ATOM 0 HH21 ARG A 178 -9.808 1.221 -19.417 1.00 0.00 H new ATOM 0 HH22 ARG A 178 -9.218 2.419 -18.260 1.00 0.00 H new ATOM 181 N GLU A 179 -10.873 -6.235 -16.498 1.00 0.00 N ATOM 182 CA GLU A 179 -10.992 -7.594 -17.048 1.00 0.00 C ATOM 183 C GLU A 179 -11.233 -7.613 -18.574 1.00 0.00 C ATOM 184 O GLU A 179 -11.941 -6.755 -19.106 1.00 0.00 O ATOM 185 CB GLU A 179 -12.133 -8.309 -16.297 1.00 0.00 C ATOM 186 CG GLU A 179 -12.270 -9.799 -16.640 1.00 0.00 C ATOM 187 CD GLU A 179 -13.334 -10.471 -15.762 1.00 0.00 C ATOM 188 OE1 GLU A 179 -14.526 -10.447 -16.156 1.00 0.00 O ATOM 189 OE2 GLU A 179 -12.962 -11.013 -14.692 1.00 0.00 O ATOM 0 H GLU A 179 -11.620 -6.007 -15.841 1.00 0.00 H new ATOM 0 HA GLU A 179 -10.045 -8.114 -16.901 1.00 0.00 H new ATOM 0 HB2 GLU A 179 -11.967 -8.208 -15.224 1.00 0.00 H new ATOM 0 HB3 GLU A 179 -13.074 -7.807 -16.523 1.00 0.00 H new ATOM 0 HG2 GLU A 179 -12.537 -9.911 -17.691 1.00 0.00 H new ATOM 0 HG3 GLU A 179 -11.311 -10.297 -16.500 1.00 0.00 H new ATOM 196 N MET A 180 -10.672 -8.626 -19.253 1.00 0.00 N ATOM 197 CA MET A 180 -10.781 -8.929 -20.693 1.00 0.00 C ATOM 198 C MET A 180 -10.831 -7.702 -21.634 1.00 0.00 C ATOM 199 O MET A 180 -11.900 -7.276 -22.083 1.00 0.00 O ATOM 200 CB MET A 180 -11.946 -9.913 -20.914 1.00 0.00 C ATOM 201 CG MET A 180 -11.888 -10.545 -22.311 1.00 0.00 C ATOM 202 SD MET A 180 -13.212 -11.727 -22.694 1.00 0.00 S ATOM 203 CE MET A 180 -14.614 -10.592 -22.895 1.00 0.00 C ATOM 0 H MET A 180 -10.084 -9.309 -18.774 1.00 0.00 H new ATOM 0 HA MET A 180 -9.844 -9.401 -20.987 1.00 0.00 H new ATOM 0 HB2 MET A 180 -11.911 -10.696 -20.157 1.00 0.00 H new ATOM 0 HB3 MET A 180 -12.894 -9.390 -20.789 1.00 0.00 H new ATOM 0 HG2 MET A 180 -11.913 -9.746 -23.053 1.00 0.00 H new ATOM 0 HG3 MET A 180 -10.930 -11.052 -22.421 1.00 0.00 H new ATOM 0 HE1 MET A 180 -15.504 -11.158 -23.170 1.00 0.00 H new ATOM 0 HE2 MET A 180 -14.794 -10.066 -21.957 1.00 0.00 H new ATOM 0 HE3 MET A 180 -14.388 -9.869 -23.679 1.00 0.00 H new ATOM 213 N ILE A 181 -9.654 -7.137 -21.937 1.00 0.00 N ATOM 214 CA ILE A 181 -9.478 -5.977 -22.831 1.00 0.00 C ATOM 215 C ILE A 181 -10.153 -6.172 -24.208 1.00 0.00 C ATOM 216 O ILE A 181 -10.200 -7.274 -24.757 1.00 0.00 O ATOM 217 CB ILE A 181 -7.978 -5.606 -22.929 1.00 0.00 C ATOM 218 CG1 ILE A 181 -7.797 -4.183 -23.505 1.00 0.00 C ATOM 219 CG2 ILE A 181 -7.166 -6.656 -23.712 1.00 0.00 C ATOM 220 CD1 ILE A 181 -6.360 -3.654 -23.419 1.00 0.00 C ATOM 0 H ILE A 181 -8.772 -7.482 -21.558 1.00 0.00 H new ATOM 0 HA ILE A 181 -10.000 -5.127 -22.391 1.00 0.00 H new ATOM 0 HB ILE A 181 -7.575 -5.606 -21.916 1.00 0.00 H new ATOM 0 HG12 ILE A 181 -8.112 -4.182 -24.548 1.00 0.00 H new ATOM 0 HG13 ILE A 181 -8.458 -3.499 -22.972 1.00 0.00 H new ATOM 0 HG21 ILE A 181 -6.120 -6.351 -23.753 1.00 0.00 H new ATOM 0 HG22 ILE A 181 -7.243 -7.622 -23.213 1.00 0.00 H new ATOM 0 HG23 ILE A 181 -7.560 -6.739 -24.725 1.00 0.00 H new ATOM 0 HD11 ILE A 181 -6.316 -2.651 -23.843 1.00 0.00 H new ATOM 0 HD12 ILE A 181 -6.046 -3.621 -22.376 1.00 0.00 H new ATOM 0 HD13 ILE A 181 -5.695 -4.314 -23.977 1.00 0.00 H new ATOM 232 N ASP A 182 -10.695 -5.084 -24.755 1.00 0.00 N ATOM 233 CA ASP A 182 -11.483 -5.022 -25.996 1.00 0.00 C ATOM 234 C ASP A 182 -10.986 -3.923 -26.966 1.00 0.00 C ATOM 235 O ASP A 182 -11.654 -2.900 -27.153 1.00 0.00 O ATOM 236 CB ASP A 182 -12.973 -4.885 -25.608 1.00 0.00 C ATOM 237 CG ASP A 182 -13.367 -3.571 -24.901 1.00 0.00 C ATOM 238 OD1 ASP A 182 -12.616 -3.111 -24.006 1.00 0.00 O ATOM 239 OD2 ASP A 182 -14.456 -3.038 -25.223 1.00 0.00 O ATOM 0 H ASP A 182 -10.592 -4.166 -24.322 1.00 0.00 H new ATOM 0 HA ASP A 182 -11.353 -5.942 -26.565 1.00 0.00 H new ATOM 0 HB2 ASP A 182 -13.574 -4.983 -26.512 1.00 0.00 H new ATOM 0 HB3 ASP A 182 -13.237 -5.719 -24.957 1.00 0.00 H new ATOM 244 N PRO A 183 -9.800 -4.101 -27.583 1.00 0.00 N ATOM 245 CA PRO A 183 -9.229 -3.128 -28.515 1.00 0.00 C ATOM 246 C PRO A 183 -9.959 -3.116 -29.870 1.00 0.00 C ATOM 247 O PRO A 183 -10.591 -4.097 -30.273 1.00 0.00 O ATOM 248 CB PRO A 183 -7.766 -3.557 -28.681 1.00 0.00 C ATOM 249 CG PRO A 183 -7.824 -5.074 -28.509 1.00 0.00 C ATOM 250 CD PRO A 183 -8.918 -5.257 -27.458 1.00 0.00 C ATOM 0 HA PRO A 183 -9.326 -2.112 -28.133 1.00 0.00 H new ATOM 0 HB2 PRO A 183 -7.373 -3.278 -29.659 1.00 0.00 H new ATOM 0 HB3 PRO A 183 -7.123 -3.092 -27.934 1.00 0.00 H new ATOM 0 HG2 PRO A 183 -8.073 -5.577 -29.443 1.00 0.00 H new ATOM 0 HG3 PRO A 183 -6.869 -5.479 -28.173 1.00 0.00 H new ATOM 0 HD2 PRO A 183 -9.466 -6.185 -27.624 1.00 0.00 H new ATOM 0 HD3 PRO A 183 -8.491 -5.314 -26.457 1.00 0.00 H new ATOM 258 N ASP A 184 -9.834 -2.010 -30.607 1.00 0.00 N ATOM 259 CA ASP A 184 -10.383 -1.878 -31.962 1.00 0.00 C ATOM 260 C ASP A 184 -9.520 -2.676 -32.964 1.00 0.00 C ATOM 261 O ASP A 184 -8.287 -2.625 -32.903 1.00 0.00 O ATOM 262 CB ASP A 184 -10.440 -0.390 -32.341 1.00 0.00 C ATOM 263 CG ASP A 184 -11.103 -0.170 -33.707 1.00 0.00 C ATOM 264 OD1 ASP A 184 -12.347 -0.023 -33.736 1.00 0.00 O ATOM 265 OD2 ASP A 184 -10.365 -0.143 -34.720 1.00 0.00 O ATOM 0 H ASP A 184 -9.347 -1.175 -30.280 1.00 0.00 H new ATOM 0 HA ASP A 184 -11.393 -2.286 -31.993 1.00 0.00 H new ATOM 0 HB2 ASP A 184 -10.992 0.158 -31.577 1.00 0.00 H new ATOM 0 HB3 ASP A 184 -9.430 0.019 -32.358 1.00 0.00 H new ATOM 270 N LYS A 185 -10.158 -3.400 -33.892 1.00 0.00 N ATOM 271 CA LYS A 185 -9.509 -4.231 -34.920 1.00 0.00 C ATOM 272 C LYS A 185 -10.194 -4.049 -36.279 1.00 0.00 C ATOM 273 O LYS A 185 -11.317 -3.545 -36.347 1.00 0.00 O ATOM 274 CB LYS A 185 -9.544 -5.702 -34.460 1.00 0.00 C ATOM 275 CG LYS A 185 -8.655 -6.050 -33.253 1.00 0.00 C ATOM 276 CD LYS A 185 -7.155 -5.908 -33.545 1.00 0.00 C ATOM 277 CE LYS A 185 -6.340 -6.331 -32.319 1.00 0.00 C ATOM 278 NZ LYS A 185 -4.890 -6.212 -32.577 1.00 0.00 N ATOM 0 H LYS A 185 -11.176 -3.426 -33.952 1.00 0.00 H new ATOM 0 HA LYS A 185 -8.471 -3.922 -35.045 1.00 0.00 H new ATOM 0 HB2 LYS A 185 -10.574 -5.961 -34.215 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -9.248 -6.332 -35.299 1.00 0.00 H new ATOM 0 HG2 LYS A 185 -8.919 -5.402 -32.417 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -8.862 -7.073 -32.941 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -6.883 -6.524 -34.403 1.00 0.00 H new ATOM 0 HD3 LYS A 185 -6.923 -4.876 -33.807 1.00 0.00 H new ATOM 0 HE2 LYS A 185 -6.613 -5.710 -31.465 1.00 0.00 H new ATOM 0 HE3 LYS A 185 -6.582 -7.360 -32.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 -4.362 -6.505 -31.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 -4.628 -6.823 -33.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 -4.658 -5.224 -32.806 1.00 0.00 H new ATOM 292 N PHE A 186 -9.531 -4.462 -37.361 1.00 0.00 N ATOM 293 CA PHE A 186 -10.032 -4.320 -38.735 1.00 0.00 C ATOM 294 C PHE A 186 -9.626 -5.504 -39.632 1.00 0.00 C ATOM 295 O PHE A 186 -8.599 -6.146 -39.397 1.00 0.00 O ATOM 296 CB PHE A 186 -9.488 -2.990 -39.308 1.00 0.00 C ATOM 297 CG PHE A 186 -10.261 -2.429 -40.492 1.00 0.00 C ATOM 298 CD1 PHE A 186 -10.019 -2.895 -41.800 1.00 0.00 C ATOM 299 CD2 PHE A 186 -11.251 -1.450 -40.280 1.00 0.00 C ATOM 300 CE1 PHE A 186 -10.826 -2.458 -42.866 1.00 0.00 C ATOM 301 CE2 PHE A 186 -12.015 -0.966 -41.359 1.00 0.00 C ATOM 302 CZ PHE A 186 -11.818 -1.487 -42.649 1.00 0.00 C ATOM 0 H PHE A 186 -8.617 -4.912 -37.310 1.00 0.00 H new ATOM 0 HA PHE A 186 -11.122 -4.313 -38.715 1.00 0.00 H new ATOM 0 HB2 PHE A 186 -9.483 -2.245 -38.512 1.00 0.00 H new ATOM 0 HB3 PHE A 186 -8.451 -3.140 -39.610 1.00 0.00 H new ATOM 0 HD1 PHE A 186 -9.212 -3.589 -41.984 1.00 0.00 H new ATOM 0 HD2 PHE A 186 -11.425 -1.069 -39.285 1.00 0.00 H new ATOM 0 HE1 PHE A 186 -10.683 -2.870 -43.854 1.00 0.00 H new ATOM 0 HE2 PHE A 186 -12.753 -0.194 -41.195 1.00 0.00 H new ATOM 0 HZ PHE A 186 -12.427 -1.142 -43.471 1.00 0.00 H new ATOM 312 N CYS A 187 -10.408 -5.755 -40.684 1.00 0.00 N ATOM 313 CA CYS A 187 -10.168 -6.756 -41.722 1.00 0.00 C ATOM 314 C CYS A 187 -10.157 -6.055 -43.090 1.00 0.00 C ATOM 315 O CYS A 187 -11.182 -5.555 -43.567 1.00 0.00 O ATOM 316 CB CYS A 187 -11.233 -7.857 -41.655 1.00 0.00 C ATOM 317 SG CYS A 187 -10.925 -9.066 -42.978 1.00 0.00 S ATOM 0 H CYS A 187 -11.272 -5.237 -40.842 1.00 0.00 H new ATOM 0 HA CYS A 187 -9.202 -7.236 -41.567 1.00 0.00 H new ATOM 0 HB2 CYS A 187 -11.205 -8.349 -40.683 1.00 0.00 H new ATOM 0 HB3 CYS A 187 -12.228 -7.425 -41.765 1.00 0.00 H new ATOM 322 N SER A 188 -8.976 -5.974 -43.709 1.00 0.00 N ATOM 323 CA SER A 188 -8.767 -5.330 -45.013 1.00 0.00 C ATOM 324 C SER A 188 -9.196 -6.200 -46.206 1.00 0.00 C ATOM 325 O SER A 188 -9.355 -5.682 -47.314 1.00 0.00 O ATOM 326 CB SER A 188 -7.305 -4.899 -45.146 1.00 0.00 C ATOM 327 OG SER A 188 -6.430 -6.007 -44.988 1.00 0.00 O ATOM 0 H SER A 188 -8.120 -6.361 -43.312 1.00 0.00 H new ATOM 0 HA SER A 188 -9.415 -4.454 -45.043 1.00 0.00 H new ATOM 0 HB2 SER A 188 -7.145 -4.441 -46.122 1.00 0.00 H new ATOM 0 HB3 SER A 188 -7.076 -4.141 -44.397 1.00 0.00 H new ATOM 0 HG SER A 188 -5.502 -5.706 -45.079 1.00 0.00 H new ATOM 333 N LEU A 189 -9.441 -7.498 -45.990 1.00 0.00 N ATOM 334 CA LEU A 189 -9.963 -8.426 -46.997 1.00 0.00 C ATOM 335 C LEU A 189 -11.488 -8.231 -47.109 1.00 0.00 C ATOM 336 O LEU A 189 -11.995 -7.946 -48.198 1.00 0.00 O ATOM 337 CB LEU A 189 -9.593 -9.867 -46.583 1.00 0.00 C ATOM 338 CG LEU A 189 -10.384 -10.975 -47.294 1.00 0.00 C ATOM 339 CD1 LEU A 189 -9.953 -11.121 -48.753 1.00 0.00 C ATOM 340 CD2 LEU A 189 -10.126 -12.273 -46.546 1.00 0.00 C ATOM 0 H LEU A 189 -9.277 -7.942 -45.086 1.00 0.00 H new ATOM 0 HA LEU A 189 -9.526 -8.233 -47.977 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -8.531 -10.021 -46.774 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -9.742 -9.969 -45.508 1.00 0.00 H new ATOM 0 HG LEU A 189 -11.445 -10.725 -47.294 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -10.533 -11.914 -49.226 1.00 0.00 H new ATOM 0 HD12 LEU A 189 -10.125 -10.182 -49.279 1.00 0.00 H new ATOM 0 HD13 LEU A 189 -8.893 -11.372 -48.796 1.00 0.00 H new ATOM 0 HD21 LEU A 189 -10.674 -13.084 -47.025 1.00 0.00 H new ATOM 0 HD22 LEU A 189 -9.059 -12.497 -46.562 1.00 0.00 H new ATOM 0 HD23 LEU A 189 -10.459 -12.170 -45.513 1.00 0.00 H new ATOM 352 N CYS A 190 -12.207 -8.378 -45.993 1.00 0.00 N ATOM 353 CA CYS A 190 -13.662 -8.273 -45.898 1.00 0.00 C ATOM 354 C CYS A 190 -14.180 -6.825 -45.729 1.00 0.00 C ATOM 355 O CYS A 190 -15.397 -6.610 -45.746 1.00 0.00 O ATOM 356 CB CYS A 190 -14.113 -9.142 -44.707 1.00 0.00 C ATOM 357 SG CYS A 190 -13.560 -10.877 -44.850 1.00 0.00 S ATOM 0 H CYS A 190 -11.771 -8.582 -45.094 1.00 0.00 H new ATOM 0 HA CYS A 190 -14.086 -8.620 -46.840 1.00 0.00 H new ATOM 0 HB2 CYS A 190 -13.722 -8.716 -43.783 1.00 0.00 H new ATOM 0 HB3 CYS A 190 -15.200 -9.116 -44.635 1.00 0.00 H new ATOM 362 N HIS A 191 -13.284 -5.842 -45.545 1.00 0.00 N ATOM 363 CA HIS A 191 -13.598 -4.424 -45.280 1.00 0.00 C ATOM 364 C HIS A 191 -14.549 -4.304 -44.077 1.00 0.00 C ATOM 365 O HIS A 191 -15.681 -3.823 -44.193 1.00 0.00 O ATOM 366 CB HIS A 191 -14.066 -3.713 -46.564 1.00 0.00 C ATOM 367 CG HIS A 191 -13.015 -3.706 -47.648 1.00 0.00 C ATOM 368 ND1 HIS A 191 -12.708 -4.759 -48.491 1.00 0.00 N ATOM 369 CD2 HIS A 191 -12.163 -2.677 -47.943 1.00 0.00 C ATOM 370 CE1 HIS A 191 -11.684 -4.381 -49.278 1.00 0.00 C ATOM 371 NE2 HIS A 191 -11.342 -3.115 -48.965 1.00 0.00 N ATOM 0 H HIS A 191 -12.280 -6.018 -45.578 1.00 0.00 H new ATOM 0 HA HIS A 191 -12.695 -3.888 -44.986 1.00 0.00 H new ATOM 0 HB2 HIS A 191 -14.964 -4.204 -46.939 1.00 0.00 H new ATOM 0 HB3 HIS A 191 -14.341 -2.686 -46.325 1.00 0.00 H new ATOM 0 HD2 HIS A 191 -12.137 -1.707 -47.468 1.00 0.00 H new ATOM 0 HE1 HIS A 191 -11.214 -4.991 -50.035 1.00 0.00 H new ATOM 0 HE2 HIS A 191 -10.601 -2.571 -49.408 1.00 0.00 H new ATOM 380 N ALA A 192 -14.080 -4.791 -42.926 1.00 0.00 N ATOM 381 CA ALA A 192 -14.839 -4.891 -41.672 1.00 0.00 C ATOM 382 C ALA A 192 -14.072 -4.343 -40.454 1.00 0.00 C ATOM 383 O ALA A 192 -12.848 -4.224 -40.483 1.00 0.00 O ATOM 384 CB ALA A 192 -15.230 -6.367 -41.475 1.00 0.00 C ATOM 0 H ALA A 192 -13.126 -5.140 -42.836 1.00 0.00 H new ATOM 0 HA ALA A 192 -15.728 -4.266 -41.748 1.00 0.00 H new ATOM 0 HB1 ALA A 192 -15.796 -6.473 -40.550 1.00 0.00 H new ATOM 0 HB2 ALA A 192 -15.842 -6.696 -42.315 1.00 0.00 H new ATOM 0 HB3 ALA A 192 -14.329 -6.978 -41.421 1.00 0.00 H new ATOM 390 N THR A 193 -14.794 -4.022 -39.375 1.00 0.00 N ATOM 391 CA THR A 193 -14.259 -3.441 -38.124 1.00 0.00 C ATOM 392 C THR A 193 -14.828 -4.171 -36.903 1.00 0.00 C ATOM 393 O THR A 193 -15.987 -4.597 -36.925 1.00 0.00 O ATOM 394 CB THR A 193 -14.625 -1.946 -38.016 1.00 0.00 C ATOM 395 OG1 THR A 193 -14.469 -1.275 -39.249 1.00 0.00 O ATOM 396 CG2 THR A 193 -13.777 -1.192 -36.989 1.00 0.00 C ATOM 0 H THR A 193 -15.804 -4.162 -39.341 1.00 0.00 H new ATOM 0 HA THR A 193 -13.175 -3.552 -38.148 1.00 0.00 H new ATOM 0 HB THR A 193 -15.669 -1.945 -37.701 1.00 0.00 H new ATOM 0 HG1 THR A 193 -13.547 -1.381 -39.565 1.00 0.00 H new ATOM 0 HG21 THR A 193 -14.084 -0.146 -36.961 1.00 0.00 H new ATOM 0 HG22 THR A 193 -13.917 -1.638 -36.004 1.00 0.00 H new ATOM 0 HG23 THR A 193 -12.725 -1.254 -37.269 1.00 0.00 H new ATOM 404 N PHE A 194 -14.039 -4.304 -35.831 1.00 0.00 N ATOM 405 CA PHE A 194 -14.417 -5.011 -34.598 1.00 0.00 C ATOM 406 C PHE A 194 -13.989 -4.214 -33.357 1.00 0.00 C ATOM 407 O PHE A 194 -13.030 -3.441 -33.407 1.00 0.00 O ATOM 408 CB PHE A 194 -13.796 -6.425 -34.592 1.00 0.00 C ATOM 409 CG PHE A 194 -13.702 -7.074 -35.964 1.00 0.00 C ATOM 410 CD1 PHE A 194 -14.860 -7.562 -36.598 1.00 0.00 C ATOM 411 CD2 PHE A 194 -12.477 -7.065 -36.661 1.00 0.00 C ATOM 412 CE1 PHE A 194 -14.798 -8.005 -37.930 1.00 0.00 C ATOM 413 CE2 PHE A 194 -12.415 -7.509 -37.992 1.00 0.00 C ATOM 414 CZ PHE A 194 -13.579 -7.968 -38.628 1.00 0.00 C ATOM 0 H PHE A 194 -13.097 -3.914 -35.794 1.00 0.00 H new ATOM 0 HA PHE A 194 -15.502 -5.108 -34.567 1.00 0.00 H new ATOM 0 HB2 PHE A 194 -12.797 -6.368 -34.161 1.00 0.00 H new ATOM 0 HB3 PHE A 194 -14.389 -7.066 -33.940 1.00 0.00 H new ATOM 0 HD1 PHE A 194 -15.796 -7.596 -36.061 1.00 0.00 H new ATOM 0 HD2 PHE A 194 -11.582 -6.715 -36.169 1.00 0.00 H new ATOM 0 HE1 PHE A 194 -15.688 -8.374 -38.418 1.00 0.00 H new ATOM 0 HE2 PHE A 194 -11.475 -7.497 -38.524 1.00 0.00 H new ATOM 0 HZ PHE A 194 -13.538 -8.294 -39.657 1.00 0.00 H new ATOM 424 N ASN A 195 -14.702 -4.403 -32.245 1.00 0.00 N ATOM 425 CA ASN A 195 -14.492 -3.695 -30.973 1.00 0.00 C ATOM 426 C ASN A 195 -14.555 -4.618 -29.736 1.00 0.00 C ATOM 427 O ASN A 195 -14.812 -4.159 -28.624 1.00 0.00 O ATOM 428 CB ASN A 195 -15.495 -2.524 -30.895 1.00 0.00 C ATOM 429 CG ASN A 195 -16.944 -2.953 -30.680 1.00 0.00 C ATOM 430 OD1 ASN A 195 -17.406 -3.982 -31.155 1.00 0.00 O ATOM 431 ND2 ASN A 195 -17.720 -2.170 -29.963 1.00 0.00 N ATOM 0 H ASN A 195 -15.468 -5.075 -32.200 1.00 0.00 H new ATOM 0 HA ASN A 195 -13.475 -3.304 -30.957 1.00 0.00 H new ATOM 0 HB2 ASN A 195 -15.200 -1.861 -30.081 1.00 0.00 H new ATOM 0 HB3 ASN A 195 -15.432 -1.945 -31.816 1.00 0.00 H new ATOM 0 HD21 ASN A 195 -18.696 -2.423 -29.808 1.00 0.00 H new ATOM 0 HD22 ASN A 195 -17.346 -1.310 -29.562 1.00 0.00 H new ATOM 438 N ASP A 196 -14.319 -5.921 -29.919 1.00 0.00 N ATOM 439 CA ASP A 196 -14.292 -6.950 -28.870 1.00 0.00 C ATOM 440 C ASP A 196 -13.282 -8.054 -29.239 1.00 0.00 C ATOM 441 O ASP A 196 -13.053 -8.294 -30.431 1.00 0.00 O ATOM 442 CB ASP A 196 -15.701 -7.537 -28.665 1.00 0.00 C ATOM 443 CG ASP A 196 -16.570 -6.663 -27.753 1.00 0.00 C ATOM 444 OD1 ASP A 196 -16.237 -6.578 -26.547 1.00 0.00 O ATOM 445 OD2 ASP A 196 -17.583 -6.114 -28.247 1.00 0.00 O ATOM 0 H ASP A 196 -14.133 -6.307 -30.845 1.00 0.00 H new ATOM 0 HA ASP A 196 -13.974 -6.495 -27.932 1.00 0.00 H new ATOM 0 HB2 ASP A 196 -16.190 -7.647 -29.633 1.00 0.00 H new ATOM 0 HB3 ASP A 196 -15.617 -8.535 -28.235 1.00 0.00 H new ATOM 450 N PRO A 197 -12.673 -8.738 -28.248 1.00 0.00 N ATOM 451 CA PRO A 197 -11.639 -9.740 -28.507 1.00 0.00 C ATOM 452 C PRO A 197 -12.175 -10.958 -29.259 1.00 0.00 C ATOM 453 O PRO A 197 -11.596 -11.417 -30.245 1.00 0.00 O ATOM 454 CB PRO A 197 -11.106 -10.163 -27.129 1.00 0.00 C ATOM 455 CG PRO A 197 -12.188 -9.742 -26.137 1.00 0.00 C ATOM 456 CD PRO A 197 -12.896 -8.577 -26.816 1.00 0.00 C ATOM 0 HA PRO A 197 -10.862 -9.317 -29.143 1.00 0.00 H new ATOM 0 HB2 PRO A 197 -10.930 -11.238 -27.088 1.00 0.00 H new ATOM 0 HB3 PRO A 197 -10.157 -9.676 -26.907 1.00 0.00 H new ATOM 0 HG2 PRO A 197 -12.878 -10.560 -25.931 1.00 0.00 H new ATOM 0 HG3 PRO A 197 -11.756 -9.442 -25.182 1.00 0.00 H new ATOM 0 HD2 PRO A 197 -13.961 -8.583 -26.586 1.00 0.00 H new ATOM 0 HD3 PRO A 197 -12.499 -7.624 -26.466 1.00 0.00 H new ATOM 464 N VAL A 198 -13.303 -11.483 -28.780 1.00 0.00 N ATOM 465 CA VAL A 198 -13.962 -12.668 -29.338 1.00 0.00 C ATOM 466 C VAL A 198 -14.581 -12.348 -30.698 1.00 0.00 C ATOM 467 O VAL A 198 -14.482 -13.169 -31.602 1.00 0.00 O ATOM 468 CB VAL A 198 -14.974 -13.232 -28.323 1.00 0.00 C ATOM 469 CG1 VAL A 198 -15.716 -14.464 -28.853 1.00 0.00 C ATOM 470 CG2 VAL A 198 -14.235 -13.642 -27.036 1.00 0.00 C ATOM 0 H VAL A 198 -13.795 -11.090 -27.978 1.00 0.00 H new ATOM 0 HA VAL A 198 -13.225 -13.451 -29.518 1.00 0.00 H new ATOM 0 HB VAL A 198 -15.704 -12.445 -28.134 1.00 0.00 H new ATOM 0 HG11 VAL A 198 -16.416 -14.820 -28.097 1.00 0.00 H new ATOM 0 HG12 VAL A 198 -16.263 -14.198 -29.758 1.00 0.00 H new ATOM 0 HG13 VAL A 198 -14.997 -15.251 -29.081 1.00 0.00 H new ATOM 0 HG21 VAL A 198 -14.950 -14.041 -26.317 1.00 0.00 H new ATOM 0 HG22 VAL A 198 -13.492 -14.404 -27.270 1.00 0.00 H new ATOM 0 HG23 VAL A 198 -13.739 -12.771 -26.608 1.00 0.00 H new ATOM 480 N MET A 199 -15.141 -11.147 -30.893 1.00 0.00 N ATOM 481 CA MET A 199 -15.679 -10.719 -32.194 1.00 0.00 C ATOM 482 C MET A 199 -14.577 -10.700 -33.265 1.00 0.00 C ATOM 483 O MET A 199 -14.753 -11.260 -34.349 1.00 0.00 O ATOM 484 CB MET A 199 -16.338 -9.337 -32.049 1.00 0.00 C ATOM 485 CG MET A 199 -17.029 -8.858 -33.334 1.00 0.00 C ATOM 486 SD MET A 199 -18.337 -9.932 -33.998 1.00 0.00 S ATOM 487 CE MET A 199 -19.587 -9.796 -32.689 1.00 0.00 C ATOM 0 H MET A 199 -15.234 -10.446 -30.158 1.00 0.00 H new ATOM 0 HA MET A 199 -16.434 -11.435 -32.519 1.00 0.00 H new ATOM 0 HB2 MET A 199 -17.070 -9.374 -31.243 1.00 0.00 H new ATOM 0 HB3 MET A 199 -15.580 -8.609 -31.759 1.00 0.00 H new ATOM 0 HG2 MET A 199 -17.458 -7.874 -33.144 1.00 0.00 H new ATOM 0 HG3 MET A 199 -16.268 -8.731 -34.104 1.00 0.00 H new ATOM 0 HE1 MET A 199 -20.482 -10.344 -32.983 1.00 0.00 H new ATOM 0 HE2 MET A 199 -19.192 -10.216 -31.764 1.00 0.00 H new ATOM 0 HE3 MET A 199 -19.838 -8.747 -32.533 1.00 0.00 H new ATOM 497 N ALA A 200 -13.419 -10.110 -32.941 1.00 0.00 N ATOM 498 CA ALA A 200 -12.253 -10.086 -33.822 1.00 0.00 C ATOM 499 C ALA A 200 -11.790 -11.511 -34.170 1.00 0.00 C ATOM 500 O ALA A 200 -11.661 -11.864 -35.344 1.00 0.00 O ATOM 501 CB ALA A 200 -11.127 -9.311 -33.123 1.00 0.00 C ATOM 0 H ALA A 200 -13.268 -9.633 -32.052 1.00 0.00 H new ATOM 0 HA ALA A 200 -12.519 -9.593 -34.757 1.00 0.00 H new ATOM 0 HB1 ALA A 200 -10.249 -9.284 -33.768 1.00 0.00 H new ATOM 0 HB2 ALA A 200 -11.458 -8.293 -32.919 1.00 0.00 H new ATOM 0 HB3 ALA A 200 -10.873 -9.805 -32.185 1.00 0.00 H new ATOM 507 N GLN A 201 -11.565 -12.344 -33.146 1.00 0.00 N ATOM 508 CA GLN A 201 -11.102 -13.719 -33.320 1.00 0.00 C ATOM 509 C GLN A 201 -12.079 -14.571 -34.155 1.00 0.00 C ATOM 510 O GLN A 201 -11.660 -15.257 -35.089 1.00 0.00 O ATOM 511 CB GLN A 201 -10.848 -14.340 -31.934 1.00 0.00 C ATOM 512 CG GLN A 201 -10.176 -15.723 -31.979 1.00 0.00 C ATOM 513 CD GLN A 201 -8.749 -15.672 -32.529 1.00 0.00 C ATOM 514 OE1 GLN A 201 -8.501 -15.842 -33.715 1.00 0.00 O ATOM 515 NE2 GLN A 201 -7.756 -15.428 -31.697 1.00 0.00 N ATOM 0 H GLN A 201 -11.701 -12.078 -32.171 1.00 0.00 H new ATOM 0 HA GLN A 201 -10.171 -13.701 -33.886 1.00 0.00 H new ATOM 0 HB2 GLN A 201 -10.222 -13.662 -31.353 1.00 0.00 H new ATOM 0 HB3 GLN A 201 -11.798 -14.427 -31.407 1.00 0.00 H new ATOM 0 HG2 GLN A 201 -10.158 -16.146 -30.975 1.00 0.00 H new ATOM 0 HG3 GLN A 201 -10.775 -16.393 -32.596 1.00 0.00 H new ATOM 0 HE21 GLN A 201 -7.945 -15.284 -30.705 1.00 0.00 H new ATOM 0 HE22 GLN A 201 -6.798 -15.383 -32.045 1.00 0.00 H new ATOM 524 N GLN A 202 -13.382 -14.505 -33.852 1.00 0.00 N ATOM 525 CA GLN A 202 -14.436 -15.232 -34.571 1.00 0.00 C ATOM 526 C GLN A 202 -14.509 -14.821 -36.047 1.00 0.00 C ATOM 527 O GLN A 202 -14.736 -15.678 -36.902 1.00 0.00 O ATOM 528 CB GLN A 202 -15.799 -15.034 -33.885 1.00 0.00 C ATOM 529 CG GLN A 202 -15.935 -15.852 -32.587 1.00 0.00 C ATOM 530 CD GLN A 202 -15.961 -17.364 -32.824 1.00 0.00 C ATOM 531 OE1 GLN A 202 -16.683 -17.886 -33.664 1.00 0.00 O ATOM 532 NE2 GLN A 202 -15.174 -18.134 -32.099 1.00 0.00 N ATOM 0 H GLN A 202 -13.740 -13.934 -33.086 1.00 0.00 H new ATOM 0 HA GLN A 202 -14.180 -16.291 -34.539 1.00 0.00 H new ATOM 0 HB2 GLN A 202 -15.938 -13.977 -33.660 1.00 0.00 H new ATOM 0 HB3 GLN A 202 -16.593 -15.320 -34.575 1.00 0.00 H new ATOM 0 HG2 GLN A 202 -15.104 -15.609 -31.924 1.00 0.00 H new ATOM 0 HG3 GLN A 202 -16.850 -15.556 -32.073 1.00 0.00 H new ATOM 0 HE21 GLN A 202 -14.564 -17.720 -31.394 1.00 0.00 H new ATOM 0 HE22 GLN A 202 -15.175 -19.144 -32.243 1.00 0.00 H new ATOM 541 N HIS A 203 -14.277 -13.540 -36.364 1.00 0.00 N ATOM 542 CA HIS A 203 -14.250 -13.084 -37.753 1.00 0.00 C ATOM 543 C HIS A 203 -13.080 -13.729 -38.517 1.00 0.00 C ATOM 544 O HIS A 203 -13.298 -14.380 -39.540 1.00 0.00 O ATOM 545 CB HIS A 203 -14.183 -11.549 -37.835 1.00 0.00 C ATOM 546 CG HIS A 203 -14.216 -11.094 -39.273 1.00 0.00 C ATOM 547 ND1 HIS A 203 -15.345 -10.937 -40.049 1.00 0.00 N ATOM 548 CD2 HIS A 203 -13.134 -10.965 -40.107 1.00 0.00 C ATOM 549 CE1 HIS A 203 -14.952 -10.769 -41.324 1.00 0.00 C ATOM 550 NE2 HIS A 203 -13.613 -10.802 -41.410 1.00 0.00 N ATOM 0 H HIS A 203 -14.106 -12.806 -35.677 1.00 0.00 H new ATOM 0 HA HIS A 203 -15.180 -13.400 -38.227 1.00 0.00 H new ATOM 0 HB2 HIS A 203 -15.021 -11.113 -37.290 1.00 0.00 H new ATOM 0 HB3 HIS A 203 -13.271 -11.193 -37.356 1.00 0.00 H new ATOM 0 HD1 HIS A 203 -16.309 -10.947 -39.715 1.00 0.00 H new ATOM 0 HD2 HIS A 203 -12.096 -10.986 -39.809 1.00 0.00 H new ATOM 0 HE1 HIS A 203 -15.620 -10.627 -42.161 1.00 0.00 H new ATOM 558 N TYR A 204 -11.846 -13.580 -38.017 1.00 0.00 N ATOM 559 CA TYR A 204 -10.644 -14.111 -38.671 1.00 0.00 C ATOM 560 C TYR A 204 -10.631 -15.642 -38.821 1.00 0.00 C ATOM 561 O TYR A 204 -10.214 -16.149 -39.863 1.00 0.00 O ATOM 562 CB TYR A 204 -9.388 -13.657 -37.909 1.00 0.00 C ATOM 563 CG TYR A 204 -9.211 -12.155 -37.745 1.00 0.00 C ATOM 564 CD1 TYR A 204 -9.453 -11.280 -38.824 1.00 0.00 C ATOM 565 CD2 TYR A 204 -8.775 -11.635 -36.510 1.00 0.00 C ATOM 566 CE1 TYR A 204 -9.287 -9.892 -38.664 1.00 0.00 C ATOM 567 CE2 TYR A 204 -8.598 -10.247 -36.348 1.00 0.00 C ATOM 568 CZ TYR A 204 -8.848 -9.371 -37.425 1.00 0.00 C ATOM 569 OH TYR A 204 -8.636 -8.038 -37.263 1.00 0.00 O ATOM 0 H TYR A 204 -11.653 -13.086 -37.145 1.00 0.00 H new ATOM 0 HA TYR A 204 -10.652 -13.705 -39.683 1.00 0.00 H new ATOM 0 HB2 TYR A 204 -9.405 -14.111 -36.918 1.00 0.00 H new ATOM 0 HB3 TYR A 204 -8.512 -14.051 -38.425 1.00 0.00 H new ATOM 0 HD1 TYR A 204 -9.767 -11.677 -39.778 1.00 0.00 H new ATOM 0 HD2 TYR A 204 -8.576 -12.303 -35.685 1.00 0.00 H new ATOM 0 HE1 TYR A 204 -9.495 -9.225 -39.487 1.00 0.00 H new ATOM 0 HE2 TYR A 204 -8.270 -9.853 -35.397 1.00 0.00 H new ATOM 0 HH TYR A 204 -8.652 -7.596 -38.137 1.00 0.00 H new ATOM 579 N VAL A 205 -11.075 -16.389 -37.801 1.00 0.00 N ATOM 580 CA VAL A 205 -11.093 -17.866 -37.826 1.00 0.00 C ATOM 581 C VAL A 205 -12.266 -18.456 -38.633 1.00 0.00 C ATOM 582 O VAL A 205 -12.259 -19.645 -38.954 1.00 0.00 O ATOM 583 CB VAL A 205 -11.037 -18.420 -36.384 1.00 0.00 C ATOM 584 CG1 VAL A 205 -12.405 -18.468 -35.695 1.00 0.00 C ATOM 585 CG2 VAL A 205 -10.397 -19.811 -36.318 1.00 0.00 C ATOM 0 H VAL A 205 -11.433 -15.990 -36.933 1.00 0.00 H new ATOM 0 HA VAL A 205 -10.200 -18.190 -38.360 1.00 0.00 H new ATOM 0 HB VAL A 205 -10.411 -17.709 -35.845 1.00 0.00 H new ATOM 0 HG11 VAL A 205 -12.291 -18.867 -34.687 1.00 0.00 H new ATOM 0 HG12 VAL A 205 -12.821 -17.462 -35.642 1.00 0.00 H new ATOM 0 HG13 VAL A 205 -13.077 -19.109 -36.265 1.00 0.00 H new ATOM 0 HG21 VAL A 205 -10.381 -20.156 -35.284 1.00 0.00 H new ATOM 0 HG22 VAL A 205 -10.977 -20.507 -36.924 1.00 0.00 H new ATOM 0 HG23 VAL A 205 -9.377 -19.761 -36.699 1.00 0.00 H new ATOM 595 N GLY A 206 -13.279 -17.646 -38.965 1.00 0.00 N ATOM 596 CA GLY A 206 -14.478 -18.067 -39.697 1.00 0.00 C ATOM 597 C GLY A 206 -14.211 -18.610 -41.107 1.00 0.00 C ATOM 598 O GLY A 206 -13.375 -18.087 -41.849 1.00 0.00 O ATOM 0 H GLY A 206 -13.287 -16.655 -38.725 1.00 0.00 H new ATOM 0 HA2 GLY A 206 -14.990 -18.835 -39.117 1.00 0.00 H new ATOM 0 HA3 GLY A 206 -15.158 -17.218 -39.772 1.00 0.00 H new ATOM 602 N LYS A 207 -14.957 -19.653 -41.500 1.00 0.00 N ATOM 603 CA LYS A 207 -14.852 -20.323 -42.815 1.00 0.00 C ATOM 604 C LYS A 207 -14.954 -19.348 -43.994 1.00 0.00 C ATOM 605 O LYS A 207 -14.167 -19.438 -44.936 1.00 0.00 O ATOM 606 CB LYS A 207 -15.916 -21.431 -42.926 1.00 0.00 C ATOM 607 CG LYS A 207 -15.667 -22.582 -41.933 1.00 0.00 C ATOM 608 CD LYS A 207 -16.711 -23.703 -42.039 1.00 0.00 C ATOM 609 CE LYS A 207 -18.104 -23.241 -41.592 1.00 0.00 C ATOM 610 NZ LYS A 207 -19.076 -24.354 -41.636 1.00 0.00 N ATOM 0 H LYS A 207 -15.670 -20.068 -40.900 1.00 0.00 H new ATOM 0 HA LYS A 207 -13.858 -20.766 -42.872 1.00 0.00 H new ATOM 0 HB2 LYS A 207 -16.902 -21.004 -42.744 1.00 0.00 H new ATOM 0 HB3 LYS A 207 -15.922 -21.826 -43.942 1.00 0.00 H new ATOM 0 HG2 LYS A 207 -14.675 -22.999 -42.110 1.00 0.00 H new ATOM 0 HG3 LYS A 207 -15.670 -22.185 -40.918 1.00 0.00 H new ATOM 0 HD2 LYS A 207 -16.760 -24.055 -43.069 1.00 0.00 H new ATOM 0 HD3 LYS A 207 -16.397 -24.549 -41.427 1.00 0.00 H new ATOM 0 HE2 LYS A 207 -18.050 -22.842 -40.579 1.00 0.00 H new ATOM 0 HE3 LYS A 207 -18.445 -22.431 -42.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 -20.009 -24.012 -41.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 -19.143 -24.718 -42.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 -18.760 -25.116 -41.002 1.00 0.00 H new ATOM 624 N LYS A 208 -15.884 -18.387 -43.923 1.00 0.00 N ATOM 625 CA LYS A 208 -16.074 -17.341 -44.947 1.00 0.00 C ATOM 626 C LYS A 208 -14.830 -16.461 -45.133 1.00 0.00 C ATOM 627 O LYS A 208 -14.458 -16.180 -46.273 1.00 0.00 O ATOM 628 CB LYS A 208 -17.347 -16.522 -44.656 1.00 0.00 C ATOM 629 CG LYS A 208 -17.344 -15.759 -43.318 1.00 0.00 C ATOM 630 CD LYS A 208 -18.685 -15.044 -43.096 1.00 0.00 C ATOM 631 CE LYS A 208 -18.751 -14.352 -41.728 1.00 0.00 C ATOM 632 NZ LYS A 208 -17.795 -13.227 -41.628 1.00 0.00 N ATOM 0 H LYS A 208 -16.537 -18.310 -43.143 1.00 0.00 H new ATOM 0 HA LYS A 208 -16.217 -17.840 -45.906 1.00 0.00 H new ATOM 0 HB2 LYS A 208 -17.491 -15.805 -45.464 1.00 0.00 H new ATOM 0 HB3 LYS A 208 -18.204 -17.195 -44.670 1.00 0.00 H new ATOM 0 HG2 LYS A 208 -17.157 -16.453 -42.499 1.00 0.00 H new ATOM 0 HG3 LYS A 208 -16.533 -15.031 -43.311 1.00 0.00 H new ATOM 0 HD2 LYS A 208 -18.836 -14.305 -43.883 1.00 0.00 H new ATOM 0 HD3 LYS A 208 -19.498 -15.766 -43.176 1.00 0.00 H new ATOM 0 HE2 LYS A 208 -19.763 -13.984 -41.556 1.00 0.00 H new ATOM 0 HE3 LYS A 208 -18.539 -15.079 -40.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 208 -17.908 -12.756 -40.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 208 -16.824 -13.588 -41.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 208 -17.980 -12.545 -42.391 1.00 0.00 H new ATOM 646 N HIS A 209 -14.146 -16.093 -44.043 1.00 0.00 N ATOM 647 CA HIS A 209 -12.903 -15.313 -44.099 1.00 0.00 C ATOM 648 C HIS A 209 -11.795 -16.141 -44.752 1.00 0.00 C ATOM 649 O HIS A 209 -11.146 -15.661 -45.678 1.00 0.00 O ATOM 650 CB HIS A 209 -12.500 -14.828 -42.698 1.00 0.00 C ATOM 651 CG HIS A 209 -11.233 -14.000 -42.708 1.00 0.00 C ATOM 652 ND1 HIS A 209 -11.160 -12.606 -42.828 1.00 0.00 N ATOM 653 CD2 HIS A 209 -9.965 -14.508 -42.658 1.00 0.00 C ATOM 654 CE1 HIS A 209 -9.846 -12.317 -42.855 1.00 0.00 C ATOM 655 NE2 HIS A 209 -9.107 -13.437 -42.760 1.00 0.00 N ATOM 0 H HIS A 209 -14.439 -16.328 -43.095 1.00 0.00 H new ATOM 0 HA HIS A 209 -13.067 -14.427 -44.712 1.00 0.00 H new ATOM 0 HB2 HIS A 209 -13.312 -14.237 -42.275 1.00 0.00 H new ATOM 0 HB3 HIS A 209 -12.361 -15.690 -42.046 1.00 0.00 H new ATOM 0 HD2 HIS A 209 -9.690 -15.548 -42.558 1.00 0.00 H new ATOM 0 HE1 HIS A 209 -9.439 -11.320 -42.941 1.00 0.00 H new ATOM 0 HE2 HIS A 209 -8.088 -13.484 -42.763 1.00 0.00 H new ATOM 663 N ARG A 210 -11.617 -17.409 -44.339 1.00 0.00 N ATOM 664 CA ARG A 210 -10.635 -18.330 -44.948 1.00 0.00 C ATOM 665 C ARG A 210 -10.854 -18.466 -46.460 1.00 0.00 C ATOM 666 O ARG A 210 -9.902 -18.323 -47.227 1.00 0.00 O ATOM 667 CB ARG A 210 -10.678 -19.717 -44.271 1.00 0.00 C ATOM 668 CG ARG A 210 -9.759 -19.855 -43.048 1.00 0.00 C ATOM 669 CD ARG A 210 -10.193 -19.014 -41.842 1.00 0.00 C ATOM 670 NE ARG A 210 -9.321 -19.264 -40.680 1.00 0.00 N ATOM 671 CZ ARG A 210 -8.143 -18.711 -40.438 1.00 0.00 C ATOM 672 NH1 ARG A 210 -7.582 -17.847 -41.243 1.00 0.00 N ATOM 673 NH2 ARG A 210 -7.479 -19.032 -39.360 1.00 0.00 N ATOM 0 H ARG A 210 -12.148 -17.825 -43.574 1.00 0.00 H new ATOM 0 HA ARG A 210 -9.646 -17.900 -44.788 1.00 0.00 H new ATOM 0 HB2 ARG A 210 -11.703 -19.927 -43.966 1.00 0.00 H new ATOM 0 HB3 ARG A 210 -10.402 -20.475 -45.005 1.00 0.00 H new ATOM 0 HG2 ARG A 210 -9.721 -20.903 -42.752 1.00 0.00 H new ATOM 0 HG3 ARG A 210 -8.747 -19.567 -43.333 1.00 0.00 H new ATOM 0 HD2 ARG A 210 -10.163 -17.956 -42.103 1.00 0.00 H new ATOM 0 HD3 ARG A 210 -11.225 -19.249 -41.583 1.00 0.00 H new ATOM 0 HE ARG A 210 -9.661 -19.934 -39.990 1.00 0.00 H new ATOM 0 HH11 ARG A 210 -8.054 -17.570 -42.104 1.00 0.00 H new ATOM 0 HH12 ARG A 210 -6.672 -17.450 -41.010 1.00 0.00 H new ATOM 0 HH21 ARG A 210 -7.868 -19.709 -38.704 1.00 0.00 H new ATOM 0 HH22 ARG A 210 -6.571 -18.605 -39.174 1.00 0.00 H new ATOM 687 N LYS A 211 -12.098 -18.699 -46.898 1.00 0.00 N ATOM 688 CA LYS A 211 -12.465 -18.828 -48.321 1.00 0.00 C ATOM 689 C LYS A 211 -12.104 -17.562 -49.108 1.00 0.00 C ATOM 690 O LYS A 211 -11.404 -17.649 -50.116 1.00 0.00 O ATOM 691 CB LYS A 211 -13.955 -19.222 -48.426 1.00 0.00 C ATOM 692 CG LYS A 211 -14.342 -19.944 -49.732 1.00 0.00 C ATOM 693 CD LYS A 211 -14.482 -19.111 -51.020 1.00 0.00 C ATOM 694 CE LYS A 211 -15.736 -18.227 -51.064 1.00 0.00 C ATOM 695 NZ LYS A 211 -15.561 -16.954 -50.335 1.00 0.00 N ATOM 0 H LYS A 211 -12.892 -18.805 -46.267 1.00 0.00 H new ATOM 0 HA LYS A 211 -11.883 -19.624 -48.785 1.00 0.00 H new ATOM 0 HB2 LYS A 211 -14.206 -19.866 -47.583 1.00 0.00 H new ATOM 0 HB3 LYS A 211 -14.562 -18.322 -48.331 1.00 0.00 H new ATOM 0 HG2 LYS A 211 -13.596 -20.717 -49.917 1.00 0.00 H new ATOM 0 HG3 LYS A 211 -15.291 -20.452 -49.561 1.00 0.00 H new ATOM 0 HD2 LYS A 211 -13.601 -18.478 -51.128 1.00 0.00 H new ATOM 0 HD3 LYS A 211 -14.496 -19.786 -51.876 1.00 0.00 H new ATOM 0 HE2 LYS A 211 -15.990 -18.014 -52.103 1.00 0.00 H new ATOM 0 HE3 LYS A 211 -16.576 -18.774 -50.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 211 -16.128 -16.972 -49.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 211 -14.558 -16.828 -50.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 211 -15.874 -16.164 -50.935 1.00 0.00 H new ATOM 709 N GLN A 212 -12.522 -16.385 -48.634 1.00 0.00 N ATOM 710 CA GLN A 212 -12.198 -15.107 -49.283 1.00 0.00 C ATOM 711 C GLN A 212 -10.686 -14.813 -49.289 1.00 0.00 C ATOM 712 O GLN A 212 -10.164 -14.313 -50.286 1.00 0.00 O ATOM 713 CB GLN A 212 -12.967 -13.954 -48.604 1.00 0.00 C ATOM 714 CG GLN A 212 -14.498 -13.973 -48.779 1.00 0.00 C ATOM 715 CD GLN A 212 -14.990 -13.595 -50.181 1.00 0.00 C ATOM 716 OE1 GLN A 212 -14.371 -13.859 -51.203 1.00 0.00 O ATOM 717 NE2 GLN A 212 -16.144 -12.974 -50.293 1.00 0.00 N ATOM 0 H GLN A 212 -13.092 -16.289 -47.794 1.00 0.00 H new ATOM 0 HA GLN A 212 -12.510 -15.188 -50.324 1.00 0.00 H new ATOM 0 HB2 GLN A 212 -12.742 -13.971 -47.538 1.00 0.00 H new ATOM 0 HB3 GLN A 212 -12.587 -13.010 -48.995 1.00 0.00 H new ATOM 0 HG2 GLN A 212 -14.865 -14.971 -48.537 1.00 0.00 H new ATOM 0 HG3 GLN A 212 -14.941 -13.287 -48.057 1.00 0.00 H new ATOM 0 HE21 GLN A 212 -16.681 -12.742 -49.458 1.00 0.00 H new ATOM 0 HE22 GLN A 212 -16.502 -12.725 -51.215 1.00 0.00 H new ATOM 726 N GLU A 213 -9.963 -15.139 -48.213 1.00 0.00 N ATOM 727 CA GLU A 213 -8.513 -14.928 -48.106 1.00 0.00 C ATOM 728 C GLU A 213 -7.787 -15.754 -49.183 1.00 0.00 C ATOM 729 O GLU A 213 -6.917 -15.238 -49.886 1.00 0.00 O ATOM 730 CB GLU A 213 -8.047 -15.305 -46.688 1.00 0.00 C ATOM 731 CG GLU A 213 -6.603 -14.882 -46.403 1.00 0.00 C ATOM 732 CD GLU A 213 -6.248 -15.150 -44.934 1.00 0.00 C ATOM 733 OE1 GLU A 213 -6.511 -14.260 -44.089 1.00 0.00 O ATOM 734 OE2 GLU A 213 -5.722 -16.254 -44.648 1.00 0.00 O ATOM 0 H GLU A 213 -10.372 -15.562 -47.380 1.00 0.00 H new ATOM 0 HA GLU A 213 -8.272 -13.878 -48.275 1.00 0.00 H new ATOM 0 HB2 GLU A 213 -8.708 -14.838 -45.958 1.00 0.00 H new ATOM 0 HB3 GLU A 213 -8.137 -16.383 -46.556 1.00 0.00 H new ATOM 0 HG2 GLU A 213 -5.922 -15.429 -47.054 1.00 0.00 H new ATOM 0 HG3 GLU A 213 -6.476 -13.823 -46.627 1.00 0.00 H new ATOM 741 N THR A 214 -8.194 -17.018 -49.366 1.00 0.00 N ATOM 742 CA THR A 214 -7.679 -17.909 -50.419 1.00 0.00 C ATOM 743 C THR A 214 -7.995 -17.353 -51.811 1.00 0.00 C ATOM 744 O THR A 214 -7.118 -17.371 -52.676 1.00 0.00 O ATOM 745 CB THR A 214 -8.237 -19.335 -50.261 1.00 0.00 C ATOM 746 OG1 THR A 214 -7.768 -19.880 -49.044 1.00 0.00 O ATOM 747 CG2 THR A 214 -7.784 -20.294 -51.364 1.00 0.00 C ATOM 0 H THR A 214 -8.902 -17.458 -48.778 1.00 0.00 H new ATOM 0 HA THR A 214 -6.595 -17.958 -50.312 1.00 0.00 H new ATOM 0 HB THR A 214 -9.322 -19.241 -50.302 1.00 0.00 H new ATOM 0 HG1 THR A 214 -8.310 -19.539 -48.302 1.00 0.00 H new ATOM 0 HG21 THR A 214 -8.215 -21.280 -51.189 1.00 0.00 H new ATOM 0 HG22 THR A 214 -8.117 -19.919 -52.332 1.00 0.00 H new ATOM 0 HG23 THR A 214 -6.696 -20.367 -51.358 1.00 0.00 H new ATOM 755 N LYS A 215 -9.203 -16.809 -52.047 1.00 0.00 N ATOM 756 CA LYS A 215 -9.555 -16.182 -53.337 1.00 0.00 C ATOM 757 C LYS A 215 -8.653 -14.980 -53.634 1.00 0.00 C ATOM 758 O LYS A 215 -8.104 -14.898 -54.732 1.00 0.00 O ATOM 759 CB LYS A 215 -11.042 -15.780 -53.374 1.00 0.00 C ATOM 760 CG LYS A 215 -12.017 -16.967 -53.455 1.00 0.00 C ATOM 761 CD LYS A 215 -11.969 -17.699 -54.807 1.00 0.00 C ATOM 762 CE LYS A 215 -13.007 -18.826 -54.884 1.00 0.00 C ATOM 763 NZ LYS A 215 -14.389 -18.301 -54.941 1.00 0.00 N ATOM 0 H LYS A 215 -9.956 -16.791 -51.359 1.00 0.00 H new ATOM 0 HA LYS A 215 -9.390 -16.923 -54.119 1.00 0.00 H new ATOM 0 HB2 LYS A 215 -11.271 -15.197 -52.482 1.00 0.00 H new ATOM 0 HB3 LYS A 215 -11.209 -15.129 -54.232 1.00 0.00 H new ATOM 0 HG2 LYS A 215 -11.786 -17.674 -52.658 1.00 0.00 H new ATOM 0 HG3 LYS A 215 -13.031 -16.609 -53.279 1.00 0.00 H new ATOM 0 HD2 LYS A 215 -12.146 -16.986 -55.612 1.00 0.00 H new ATOM 0 HD3 LYS A 215 -10.972 -18.112 -54.961 1.00 0.00 H new ATOM 0 HE2 LYS A 215 -12.814 -19.437 -55.766 1.00 0.00 H new ATOM 0 HE3 LYS A 215 -12.901 -19.477 -54.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 215 -15.050 -19.082 -55.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 215 -14.629 -17.855 -54.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 215 -14.462 -17.596 -55.702 1.00 0.00 H new ATOM 777 N LEU A 216 -8.436 -14.086 -52.662 1.00 0.00 N ATOM 778 CA LEU A 216 -7.530 -12.939 -52.820 1.00 0.00 C ATOM 779 C LEU A 216 -6.086 -13.399 -53.092 1.00 0.00 C ATOM 780 O LEU A 216 -5.428 -12.864 -53.985 1.00 0.00 O ATOM 781 CB LEU A 216 -7.626 -12.028 -51.580 1.00 0.00 C ATOM 782 CG LEU A 216 -6.726 -10.775 -51.647 1.00 0.00 C ATOM 783 CD1 LEU A 216 -7.075 -9.861 -52.825 1.00 0.00 C ATOM 784 CD2 LEU A 216 -6.860 -9.956 -50.363 1.00 0.00 C ATOM 0 H LEU A 216 -8.881 -14.136 -51.746 1.00 0.00 H new ATOM 0 HA LEU A 216 -7.837 -12.361 -53.691 1.00 0.00 H new ATOM 0 HB2 LEU A 216 -8.662 -11.712 -51.454 1.00 0.00 H new ATOM 0 HB3 LEU A 216 -7.359 -12.607 -50.696 1.00 0.00 H new ATOM 0 HG LEU A 216 -5.707 -11.139 -51.776 1.00 0.00 H new ATOM 0 HD11 LEU A 216 -6.411 -8.996 -52.824 1.00 0.00 H new ATOM 0 HD12 LEU A 216 -6.954 -10.409 -53.759 1.00 0.00 H new ATOM 0 HD13 LEU A 216 -8.108 -9.526 -52.732 1.00 0.00 H new ATOM 0 HD21 LEU A 216 -6.220 -9.076 -50.424 1.00 0.00 H new ATOM 0 HD22 LEU A 216 -7.897 -9.643 -50.238 1.00 0.00 H new ATOM 0 HD23 LEU A 216 -6.559 -10.565 -49.510 1.00 0.00 H new ATOM 796 N LYS A 217 -5.601 -14.417 -52.365 1.00 0.00 N ATOM 797 CA LYS A 217 -4.265 -15.004 -52.563 1.00 0.00 C ATOM 798 C LYS A 217 -4.114 -15.574 -53.979 1.00 0.00 C ATOM 799 O LYS A 217 -3.112 -15.304 -54.639 1.00 0.00 O ATOM 800 CB LYS A 217 -4.007 -16.060 -51.474 1.00 0.00 C ATOM 801 CG LYS A 217 -2.562 -16.581 -51.498 1.00 0.00 C ATOM 802 CD LYS A 217 -2.325 -17.585 -50.360 1.00 0.00 C ATOM 803 CE LYS A 217 -0.868 -18.061 -50.305 1.00 0.00 C ATOM 804 NZ LYS A 217 -0.503 -18.866 -51.492 1.00 0.00 N ATOM 0 H LYS A 217 -6.130 -14.861 -51.615 1.00 0.00 H new ATOM 0 HA LYS A 217 -3.508 -14.226 -52.467 1.00 0.00 H new ATOM 0 HB2 LYS A 217 -4.219 -15.629 -50.496 1.00 0.00 H new ATOM 0 HB3 LYS A 217 -4.694 -16.895 -51.611 1.00 0.00 H new ATOM 0 HG2 LYS A 217 -2.358 -17.057 -52.457 1.00 0.00 H new ATOM 0 HG3 LYS A 217 -1.868 -15.746 -51.403 1.00 0.00 H new ATOM 0 HD2 LYS A 217 -2.591 -17.124 -49.409 1.00 0.00 H new ATOM 0 HD3 LYS A 217 -2.982 -18.445 -50.493 1.00 0.00 H new ATOM 0 HE2 LYS A 217 -0.207 -17.197 -50.235 1.00 0.00 H new ATOM 0 HE3 LYS A 217 -0.714 -18.654 -49.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 217 0.467 -19.224 -51.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 217 -1.160 -19.667 -51.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 217 -0.560 -18.273 -52.344 1.00 0.00 H new ATOM 818 N LEU A 218 -5.117 -16.308 -54.469 1.00 0.00 N ATOM 819 CA LEU A 218 -5.150 -16.857 -55.830 1.00 0.00 C ATOM 820 C LEU A 218 -5.116 -15.726 -56.869 1.00 0.00 C ATOM 821 O LEU A 218 -4.302 -15.773 -57.788 1.00 0.00 O ATOM 822 CB LEU A 218 -6.382 -17.777 -55.968 1.00 0.00 C ATOM 823 CG LEU A 218 -6.556 -18.573 -57.281 1.00 0.00 C ATOM 824 CD1 LEU A 218 -7.076 -17.736 -58.453 1.00 0.00 C ATOM 825 CD2 LEU A 218 -5.279 -19.292 -57.719 1.00 0.00 C ATOM 0 H LEU A 218 -5.945 -16.542 -53.921 1.00 0.00 H new ATOM 0 HA LEU A 218 -4.264 -17.462 -56.020 1.00 0.00 H new ATOM 0 HB2 LEU A 218 -6.357 -18.492 -55.146 1.00 0.00 H new ATOM 0 HB3 LEU A 218 -7.273 -17.164 -55.830 1.00 0.00 H new ATOM 0 HG LEU A 218 -7.316 -19.313 -57.028 1.00 0.00 H new ATOM 0 HD11 LEU A 218 -7.171 -18.367 -59.337 1.00 0.00 H new ATOM 0 HD12 LEU A 218 -8.051 -17.319 -58.198 1.00 0.00 H new ATOM 0 HD13 LEU A 218 -6.377 -16.925 -58.659 1.00 0.00 H new ATOM 0 HD21 LEU A 218 -5.466 -19.833 -58.647 1.00 0.00 H new ATOM 0 HD22 LEU A 218 -4.486 -18.561 -57.878 1.00 0.00 H new ATOM 0 HD23 LEU A 218 -4.974 -19.995 -56.944 1.00 0.00 H new ATOM 837 N MET A 219 -5.942 -14.686 -56.708 1.00 0.00 N ATOM 838 CA MET A 219 -5.956 -13.514 -57.599 1.00 0.00 C ATOM 839 C MET A 219 -4.580 -12.829 -57.656 1.00 0.00 C ATOM 840 O MET A 219 -4.092 -12.519 -58.745 1.00 0.00 O ATOM 841 CB MET A 219 -7.038 -12.519 -57.146 1.00 0.00 C ATOM 842 CG MET A 219 -8.457 -13.034 -57.417 1.00 0.00 C ATOM 843 SD MET A 219 -9.777 -12.126 -56.558 1.00 0.00 S ATOM 844 CE MET A 219 -9.607 -10.482 -57.308 1.00 0.00 C ATOM 0 H MET A 219 -6.625 -14.631 -55.952 1.00 0.00 H new ATOM 0 HA MET A 219 -6.190 -13.860 -58.606 1.00 0.00 H new ATOM 0 HB2 MET A 219 -6.923 -12.322 -56.080 1.00 0.00 H new ATOM 0 HB3 MET A 219 -6.894 -11.570 -57.663 1.00 0.00 H new ATOM 0 HG2 MET A 219 -8.645 -12.991 -58.490 1.00 0.00 H new ATOM 0 HG3 MET A 219 -8.509 -14.083 -57.126 1.00 0.00 H new ATOM 0 HE1 MET A 219 -10.363 -9.814 -56.895 1.00 0.00 H new ATOM 0 HE2 MET A 219 -8.615 -10.085 -57.093 1.00 0.00 H new ATOM 0 HE3 MET A 219 -9.741 -10.559 -58.387 1.00 0.00 H new ATOM 854 N ALA A 220 -3.923 -12.633 -56.507 1.00 0.00 N ATOM 855 CA ALA A 220 -2.583 -12.048 -56.427 1.00 0.00 C ATOM 856 C ALA A 220 -1.517 -12.936 -57.108 1.00 0.00 C ATOM 857 O ALA A 220 -0.658 -12.427 -57.834 1.00 0.00 O ATOM 858 CB ALA A 220 -2.250 -11.795 -54.951 1.00 0.00 C ATOM 0 H ALA A 220 -4.313 -12.880 -55.597 1.00 0.00 H new ATOM 0 HA ALA A 220 -2.573 -11.104 -56.972 1.00 0.00 H new ATOM 0 HB1 ALA A 220 -1.254 -11.359 -54.872 1.00 0.00 H new ATOM 0 HB2 ALA A 220 -2.982 -11.108 -54.525 1.00 0.00 H new ATOM 0 HB3 ALA A 220 -2.277 -12.738 -54.405 1.00 0.00 H new ATOM 864 N ARG A 221 -1.586 -14.261 -56.907 1.00 0.00 N ATOM 865 CA ARG A 221 -0.684 -15.264 -57.508 1.00 0.00 C ATOM 866 C ARG A 221 -0.844 -15.353 -59.034 1.00 0.00 C ATOM 867 O ARG A 221 0.148 -15.480 -59.751 1.00 0.00 O ATOM 868 CB ARG A 221 -0.965 -16.622 -56.831 1.00 0.00 C ATOM 869 CG ARG A 221 -0.038 -17.777 -57.244 1.00 0.00 C ATOM 870 CD ARG A 221 1.422 -17.540 -56.836 1.00 0.00 C ATOM 871 NE ARG A 221 2.252 -18.736 -57.072 1.00 0.00 N ATOM 872 CZ ARG A 221 2.382 -19.782 -56.270 1.00 0.00 C ATOM 873 NH1 ARG A 221 1.754 -19.884 -55.128 1.00 0.00 N ATOM 874 NH2 ARG A 221 3.162 -20.775 -56.607 1.00 0.00 N ATOM 0 H ARG A 221 -2.293 -14.680 -56.303 1.00 0.00 H new ATOM 0 HA ARG A 221 0.351 -14.966 -57.338 1.00 0.00 H new ATOM 0 HB2 ARG A 221 -0.893 -16.491 -55.751 1.00 0.00 H new ATOM 0 HB3 ARG A 221 -1.993 -16.910 -57.049 1.00 0.00 H new ATOM 0 HG2 ARG A 221 -0.392 -18.702 -56.789 1.00 0.00 H new ATOM 0 HG3 ARG A 221 -0.092 -17.912 -58.324 1.00 0.00 H new ATOM 0 HD2 ARG A 221 1.826 -16.699 -57.399 1.00 0.00 H new ATOM 0 HD3 ARG A 221 1.466 -17.268 -55.781 1.00 0.00 H new ATOM 0 HE ARG A 221 2.781 -18.760 -57.944 1.00 0.00 H new ATOM 0 HH11 ARG A 221 1.131 -19.137 -54.820 1.00 0.00 H new ATOM 0 HH12 ARG A 221 1.887 -20.710 -54.545 1.00 0.00 H new ATOM 0 HH21 ARG A 221 3.673 -20.746 -57.490 1.00 0.00 H new ATOM 0 HH22 ARG A 221 3.260 -21.579 -55.987 1.00 0.00 H new ATOM 888 N TYR A 222 -2.084 -15.283 -59.521 1.00 0.00 N ATOM 889 CA TYR A 222 -2.446 -15.339 -60.943 1.00 0.00 C ATOM 890 C TYR A 222 -2.122 -14.033 -61.698 1.00 0.00 C ATOM 891 O TYR A 222 -1.785 -14.066 -62.885 1.00 0.00 O ATOM 892 CB TYR A 222 -3.945 -15.667 -61.034 1.00 0.00 C ATOM 893 CG TYR A 222 -4.444 -15.984 -62.430 1.00 0.00 C ATOM 894 CD1 TYR A 222 -4.297 -17.288 -62.944 1.00 0.00 C ATOM 895 CD2 TYR A 222 -5.067 -14.989 -63.209 1.00 0.00 C ATOM 896 CE1 TYR A 222 -4.770 -17.598 -64.233 1.00 0.00 C ATOM 897 CE2 TYR A 222 -5.538 -15.294 -64.501 1.00 0.00 C ATOM 898 CZ TYR A 222 -5.391 -16.601 -65.018 1.00 0.00 C ATOM 899 OH TYR A 222 -5.845 -16.909 -66.264 1.00 0.00 O ATOM 0 H TYR A 222 -2.897 -15.182 -58.914 1.00 0.00 H new ATOM 0 HA TYR A 222 -1.849 -16.112 -61.427 1.00 0.00 H new ATOM 0 HB2 TYR A 222 -4.156 -16.518 -60.386 1.00 0.00 H new ATOM 0 HB3 TYR A 222 -4.512 -14.821 -60.644 1.00 0.00 H new ATOM 0 HD1 TYR A 222 -3.820 -18.051 -62.347 1.00 0.00 H new ATOM 0 HD2 TYR A 222 -5.184 -13.990 -62.815 1.00 0.00 H new ATOM 0 HE1 TYR A 222 -4.658 -18.599 -64.622 1.00 0.00 H new ATOM 0 HE2 TYR A 222 -6.012 -14.528 -65.097 1.00 0.00 H new ATOM 0 HH TYR A 222 -6.247 -16.114 -66.672 1.00 0.00 H new ATOM 909 N GLY A 223 -2.213 -12.884 -61.016 1.00 0.00 N ATOM 910 CA GLY A 223 -1.931 -11.550 -61.558 1.00 0.00 C ATOM 911 C GLY A 223 -0.436 -11.233 -61.737 1.00 0.00 C ATOM 912 O GLY A 223 0.437 -12.083 -61.531 1.00 0.00 O ATOM 0 H GLY A 223 -2.495 -12.858 -60.036 1.00 0.00 H new ATOM 0 HA2 GLY A 223 -2.428 -11.452 -62.523 1.00 0.00 H new ATOM 0 HA3 GLY A 223 -2.370 -10.803 -60.897 1.00 0.00 H new ATOM 916 N ARG A 224 -0.139 -9.986 -62.132 1.00 0.00 N ATOM 917 CA ARG A 224 1.230 -9.476 -62.357 1.00 0.00 C ATOM 918 C ARG A 224 2.104 -9.596 -61.098 1.00 0.00 C ATOM 919 O ARG A 224 1.663 -9.269 -59.994 1.00 0.00 O ATOM 920 CB ARG A 224 1.181 -8.010 -62.831 1.00 0.00 C ATOM 921 CG ARG A 224 0.522 -7.851 -64.213 1.00 0.00 C ATOM 922 CD ARG A 224 0.552 -6.398 -64.707 1.00 0.00 C ATOM 923 NE ARG A 224 -0.285 -5.510 -63.877 1.00 0.00 N ATOM 924 CZ ARG A 224 -0.437 -4.205 -64.039 1.00 0.00 C ATOM 925 NH1 ARG A 224 0.162 -3.537 -64.992 1.00 0.00 N ATOM 926 NH2 ARG A 224 -1.210 -3.528 -63.233 1.00 0.00 N ATOM 0 H ARG A 224 -0.858 -9.284 -62.309 1.00 0.00 H new ATOM 0 HA ARG A 224 1.685 -10.093 -63.132 1.00 0.00 H new ATOM 0 HB2 ARG A 224 0.632 -7.415 -62.101 1.00 0.00 H new ATOM 0 HB3 ARG A 224 2.195 -7.611 -62.869 1.00 0.00 H new ATOM 0 HG2 ARG A 224 1.035 -8.488 -64.933 1.00 0.00 H new ATOM 0 HG3 ARG A 224 -0.511 -8.194 -64.162 1.00 0.00 H new ATOM 0 HD2 ARG A 224 1.580 -6.035 -64.702 1.00 0.00 H new ATOM 0 HD3 ARG A 224 0.206 -6.360 -65.740 1.00 0.00 H new ATOM 0 HE ARG A 224 -0.794 -5.942 -63.106 1.00 0.00 H new ATOM 0 HH11 ARG A 224 0.775 -4.022 -65.647 1.00 0.00 H new ATOM 0 HH12 ARG A 224 0.016 -2.531 -65.079 1.00 0.00 H new ATOM 0 HH21 ARG A 224 -1.699 -4.005 -62.475 1.00 0.00 H new ATOM 0 HH22 ARG A 224 -1.325 -2.523 -63.361 1.00 0.00 H new ATOM 940 N LEU A 225 3.349 -10.046 -61.272 1.00 0.00 N ATOM 941 CA LEU A 225 4.336 -10.217 -60.198 1.00 0.00 C ATOM 942 C LEU A 225 4.792 -8.858 -59.627 1.00 0.00 C ATOM 943 O LEU A 225 5.550 -8.126 -60.268 1.00 0.00 O ATOM 944 CB LEU A 225 5.509 -11.058 -60.742 1.00 0.00 C ATOM 945 CG LEU A 225 6.635 -11.335 -59.726 1.00 0.00 C ATOM 946 CD1 LEU A 225 6.144 -12.097 -58.491 1.00 0.00 C ATOM 947 CD2 LEU A 225 7.734 -12.165 -60.390 1.00 0.00 C ATOM 0 H LEU A 225 3.710 -10.309 -62.189 1.00 0.00 H new ATOM 0 HA LEU A 225 3.885 -10.748 -59.360 1.00 0.00 H new ATOM 0 HB2 LEU A 225 5.119 -12.011 -61.099 1.00 0.00 H new ATOM 0 HB3 LEU A 225 5.935 -10.545 -61.604 1.00 0.00 H new ATOM 0 HG LEU A 225 7.010 -10.364 -59.402 1.00 0.00 H new ATOM 0 HD11 LEU A 225 6.979 -12.264 -57.811 1.00 0.00 H new ATOM 0 HD12 LEU A 225 5.375 -11.513 -57.985 1.00 0.00 H new ATOM 0 HD13 LEU A 225 5.728 -13.057 -58.797 1.00 0.00 H new ATOM 0 HD21 LEU A 225 8.529 -12.359 -59.670 1.00 0.00 H new ATOM 0 HD22 LEU A 225 7.317 -13.111 -60.735 1.00 0.00 H new ATOM 0 HD23 LEU A 225 8.141 -11.617 -61.240 1.00 0.00 H new ATOM 959 N ALA A 226 4.320 -8.516 -58.425 1.00 0.00 N ATOM 960 CA ALA A 226 4.633 -7.256 -57.739 1.00 0.00 C ATOM 961 C ALA A 226 6.052 -7.190 -57.121 1.00 0.00 C ATOM 962 O ALA A 226 6.536 -6.099 -56.810 1.00 0.00 O ATOM 963 CB ALA A 226 3.564 -7.035 -56.661 1.00 0.00 C ATOM 0 H ALA A 226 3.696 -9.119 -57.889 1.00 0.00 H new ATOM 0 HA ALA A 226 4.626 -6.464 -58.488 1.00 0.00 H new ATOM 0 HB1 ALA A 226 3.768 -6.104 -56.131 1.00 0.00 H new ATOM 0 HB2 ALA A 226 2.581 -6.978 -57.129 1.00 0.00 H new ATOM 0 HB3 ALA A 226 3.582 -7.866 -55.955 1.00 0.00 H new ATOM 969 N ASP A 227 6.722 -8.335 -56.933 1.00 0.00 N ATOM 970 CA ASP A 227 8.067 -8.433 -56.338 1.00 0.00 C ATOM 971 C ASP A 227 8.850 -9.659 -56.839 1.00 0.00 C ATOM 972 O ASP A 227 9.335 -9.684 -57.977 1.00 0.00 O ATOM 973 CB ASP A 227 7.962 -8.452 -54.802 1.00 0.00 C ATOM 974 CG ASP A 227 7.171 -9.649 -54.260 1.00 0.00 C ATOM 975 OD1 ASP A 227 7.746 -10.764 -54.240 1.00 0.00 O ATOM 976 OD2 ASP A 227 5.994 -9.455 -53.873 1.00 0.00 O ATOM 0 H ASP A 227 6.337 -9.242 -57.196 1.00 0.00 H new ATOM 0 HA ASP A 227 8.626 -7.553 -56.656 1.00 0.00 H new ATOM 0 HB2 ASP A 227 8.966 -8.467 -54.377 1.00 0.00 H new ATOM 0 HB3 ASP A 227 7.487 -7.530 -54.466 1.00 0.00 H new TER 981 ASP A 227 HETATM 982 ZN ZN A 301 -12.292 -10.873 -42.993 1.00 0.00 ZN