USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=11 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 212 GLN : amide:sc= 0.229 K(o=0.46,f=-0.23) USER MOD Set 1.2: A 215 LYS NZ :NH3+ 170:sc= 0.236 (180deg=0) USER MOD Single : A 168 SER OG : rot -28:sc= 0.0534 USER MOD Single : A 169 THR OG1 : rot -45:sc= 0.102 USER MOD Single : A 170 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 175 HIS : no HE2:sc= 0.00397 X(o=0.004,f=-0.073) USER MOD Single : A 176 GLN : amide:sc= 0.331 K(o=0.33,f=-0.24) USER MOD Single : A 177 ASN : amide:sc= -0.0641 K(o=-0.064,f=-0.66) USER MOD Single : A 180 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 185 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0288) 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=-0.0067) USER MOD Single : A 193 THR OG1 : rot 180:sc= 0 USER MOD Single : A 195 ASN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 199 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 201 GLN : amide:sc= 0 X(o=0,f=-0.004) USER MOD Single : A 202 GLN : amide:sc= -0.0799 X(o=-0.08,f=-0.11) USER MOD Single : A 204 TYR OH : rot 30:sc= 0 USER MOD Single : A 207 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 208 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 211 LYS NZ :NH3+ 144:sc= -0.213 (180deg=-0.953) USER MOD Single : A 214 THR OG1 : rot 77:sc= 0.85 USER MOD Single : A 217 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 219 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 222 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 168 5.603 -7.587 -10.069 1.00 0.00 N ATOM 2 CA SER A 168 5.237 -6.173 -10.243 1.00 0.00 C ATOM 3 C SER A 168 3.748 -5.940 -10.562 1.00 0.00 C ATOM 4 O SER A 168 3.293 -4.795 -10.613 1.00 0.00 O ATOM 5 CB SER A 168 6.121 -5.537 -11.327 1.00 0.00 C ATOM 6 OG SER A 168 5.968 -6.211 -12.570 1.00 0.00 O ATOM 0 HA SER A 168 5.410 -5.693 -9.280 1.00 0.00 H new ATOM 0 HB2 SER A 168 5.858 -4.486 -11.445 1.00 0.00 H new ATOM 0 HB3 SER A 168 7.165 -5.572 -11.016 1.00 0.00 H new ATOM 0 HG SER A 168 5.721 -7.145 -12.407 1.00 0.00 H new ATOM 12 N THR A 169 2.983 -7.019 -10.772 1.00 0.00 N ATOM 13 CA THR A 169 1.542 -6.999 -11.112 1.00 0.00 C ATOM 14 C THR A 169 0.726 -8.104 -10.403 1.00 0.00 C ATOM 15 O THR A 169 -0.464 -8.296 -10.670 1.00 0.00 O ATOM 16 CB THR A 169 1.395 -7.021 -12.649 1.00 0.00 C ATOM 17 OG1 THR A 169 0.110 -6.593 -13.053 1.00 0.00 O ATOM 18 CG2 THR A 169 1.682 -8.386 -13.283 1.00 0.00 C ATOM 0 H THR A 169 3.357 -7.966 -10.709 1.00 0.00 H new ATOM 0 HA THR A 169 1.107 -6.076 -10.730 1.00 0.00 H new ATOM 0 HB THR A 169 2.154 -6.326 -13.007 1.00 0.00 H new ATOM 0 HG1 THR A 169 -0.569 -7.022 -12.491 1.00 0.00 H new ATOM 0 HG21 THR A 169 1.557 -8.319 -14.364 1.00 0.00 H new ATOM 0 HG22 THR A 169 2.705 -8.686 -13.054 1.00 0.00 H new ATOM 0 HG23 THR A 169 0.989 -9.126 -12.883 1.00 0.00 H new ATOM 26 N LYS A 170 1.349 -8.837 -9.464 1.00 0.00 N ATOM 27 CA LYS A 170 0.759 -9.930 -8.662 1.00 0.00 C ATOM 28 C LYS A 170 -0.213 -9.415 -7.577 1.00 0.00 C ATOM 29 O LYS A 170 0.034 -9.570 -6.378 1.00 0.00 O ATOM 30 CB LYS A 170 1.903 -10.794 -8.083 1.00 0.00 C ATOM 31 CG LYS A 170 1.411 -12.171 -7.594 1.00 0.00 C ATOM 32 CD LYS A 170 2.359 -12.821 -6.575 1.00 0.00 C ATOM 33 CE LYS A 170 3.770 -13.046 -7.129 1.00 0.00 C ATOM 34 NZ LYS A 170 4.644 -13.660 -6.108 1.00 0.00 N ATOM 0 H LYS A 170 2.329 -8.677 -9.230 1.00 0.00 H new ATOM 0 HA LYS A 170 0.141 -10.552 -9.309 1.00 0.00 H new ATOM 0 HB2 LYS A 170 2.669 -10.935 -8.845 1.00 0.00 H new ATOM 0 HB3 LYS A 170 2.371 -10.263 -7.254 1.00 0.00 H new ATOM 0 HG2 LYS A 170 0.425 -12.059 -7.144 1.00 0.00 H new ATOM 0 HG3 LYS A 170 1.297 -12.835 -8.451 1.00 0.00 H new ATOM 0 HD2 LYS A 170 2.419 -12.190 -5.689 1.00 0.00 H new ATOM 0 HD3 LYS A 170 1.942 -13.777 -6.258 1.00 0.00 H new ATOM 0 HE2 LYS A 170 3.722 -13.690 -8.007 1.00 0.00 H new ATOM 0 HE3 LYS A 170 4.194 -12.096 -7.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 5.594 -13.803 -6.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 4.705 -13.033 -5.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 4.248 -14.577 -5.818 1.00 0.00 H new ATOM 48 N VAL A 171 -1.306 -8.768 -7.992 1.00 0.00 N ATOM 49 CA VAL A 171 -2.327 -8.184 -7.098 1.00 0.00 C ATOM 50 C VAL A 171 -3.741 -8.555 -7.566 1.00 0.00 C ATOM 51 O VAL A 171 -4.386 -9.380 -6.922 1.00 0.00 O ATOM 52 CB VAL A 171 -2.143 -6.652 -6.954 1.00 0.00 C ATOM 53 CG1 VAL A 171 -3.115 -6.069 -5.920 1.00 0.00 C ATOM 54 CG2 VAL A 171 -0.725 -6.265 -6.512 1.00 0.00 C ATOM 0 H VAL A 171 -1.516 -8.629 -8.980 1.00 0.00 H new ATOM 0 HA VAL A 171 -2.192 -8.611 -6.105 1.00 0.00 H new ATOM 0 HB VAL A 171 -2.339 -6.245 -7.946 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -2.961 -4.993 -5.842 1.00 0.00 H new ATOM 0 HG12 VAL A 171 -4.140 -6.267 -6.232 1.00 0.00 H new ATOM 0 HG13 VAL A 171 -2.935 -6.532 -4.950 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -0.653 -5.181 -6.427 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -0.509 -6.719 -5.545 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -0.005 -6.620 -7.249 1.00 0.00 H new ATOM 64 N GLU A 172 -4.213 -7.990 -8.688 1.00 0.00 N ATOM 65 CA GLU A 172 -5.542 -8.222 -9.304 1.00 0.00 C ATOM 66 C GLU A 172 -6.734 -8.228 -8.303 1.00 0.00 C ATOM 67 O GLU A 172 -7.726 -8.940 -8.481 1.00 0.00 O ATOM 68 CB GLU A 172 -5.462 -9.486 -10.191 1.00 0.00 C ATOM 69 CG GLU A 172 -6.457 -9.525 -11.366 1.00 0.00 C ATOM 70 CD GLU A 172 -6.116 -8.507 -12.465 1.00 0.00 C ATOM 71 OE1 GLU A 172 -5.152 -8.763 -13.227 1.00 0.00 O ATOM 72 OE2 GLU A 172 -6.819 -7.471 -12.556 1.00 0.00 O ATOM 0 H GLU A 172 -3.655 -7.324 -9.222 1.00 0.00 H new ATOM 0 HA GLU A 172 -5.777 -7.362 -9.931 1.00 0.00 H new ATOM 0 HB2 GLU A 172 -4.451 -9.568 -10.589 1.00 0.00 H new ATOM 0 HB3 GLU A 172 -5.630 -10.362 -9.564 1.00 0.00 H new ATOM 0 HG2 GLU A 172 -6.467 -10.527 -11.795 1.00 0.00 H new ATOM 0 HG3 GLU A 172 -7.462 -9.328 -10.993 1.00 0.00 H new ATOM 79 N ALA A 173 -6.634 -7.449 -7.217 1.00 0.00 N ATOM 80 CA ALA A 173 -7.628 -7.371 -6.137 1.00 0.00 C ATOM 81 C ALA A 173 -8.981 -6.742 -6.541 1.00 0.00 C ATOM 82 O ALA A 173 -9.982 -6.930 -5.844 1.00 0.00 O ATOM 83 CB ALA A 173 -6.995 -6.601 -4.970 1.00 0.00 C ATOM 0 H ALA A 173 -5.834 -6.836 -7.061 1.00 0.00 H new ATOM 0 HA ALA A 173 -7.883 -8.393 -5.855 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -7.711 -6.527 -4.152 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -6.105 -7.128 -4.627 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -6.719 -5.600 -5.302 1.00 0.00 H new ATOM 89 N LEU A 174 -9.021 -6.011 -7.661 1.00 0.00 N ATOM 90 CA LEU A 174 -10.198 -5.338 -8.225 1.00 0.00 C ATOM 91 C LEU A 174 -10.192 -5.457 -9.759 1.00 0.00 C ATOM 92 O LEU A 174 -9.125 -5.501 -10.379 1.00 0.00 O ATOM 93 CB LEU A 174 -10.177 -3.844 -7.831 1.00 0.00 C ATOM 94 CG LEU A 174 -10.364 -3.531 -6.334 1.00 0.00 C ATOM 95 CD1 LEU A 174 -10.156 -2.034 -6.096 1.00 0.00 C ATOM 96 CD2 LEU A 174 -11.764 -3.896 -5.836 1.00 0.00 C ATOM 0 H LEU A 174 -8.187 -5.865 -8.230 1.00 0.00 H new ATOM 0 HA LEU A 174 -11.098 -5.812 -7.832 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -9.227 -3.418 -8.154 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -10.961 -3.332 -8.388 1.00 0.00 H new ATOM 0 HG LEU A 174 -9.633 -4.128 -5.789 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -10.288 -1.812 -5.037 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -9.148 -1.753 -6.402 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -10.883 -1.468 -6.679 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -11.847 -3.657 -4.776 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -12.508 -3.329 -6.395 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -11.936 -4.962 -5.982 1.00 0.00 H new ATOM 108 N HIS A 175 -11.379 -5.479 -10.376 1.00 0.00 N ATOM 109 CA HIS A 175 -11.533 -5.532 -11.838 1.00 0.00 C ATOM 110 C HIS A 175 -11.355 -4.136 -12.464 1.00 0.00 C ATOM 111 O HIS A 175 -11.687 -3.120 -11.845 1.00 0.00 O ATOM 112 CB HIS A 175 -12.902 -6.142 -12.184 1.00 0.00 C ATOM 113 CG HIS A 175 -13.028 -6.517 -13.640 1.00 0.00 C ATOM 114 ND1 HIS A 175 -13.612 -5.753 -14.632 1.00 0.00 N ATOM 115 CD2 HIS A 175 -12.557 -7.663 -14.221 1.00 0.00 C ATOM 116 CE1 HIS A 175 -13.494 -6.417 -15.798 1.00 0.00 C ATOM 117 NE2 HIS A 175 -12.858 -7.583 -15.568 1.00 0.00 N ATOM 0 H HIS A 175 -12.266 -5.460 -9.874 1.00 0.00 H new ATOM 0 HA HIS A 175 -10.754 -6.167 -12.260 1.00 0.00 H new ATOM 0 HB2 HIS A 175 -13.064 -7.028 -11.571 1.00 0.00 H new ATOM 0 HB3 HIS A 175 -13.686 -5.430 -11.929 1.00 0.00 H new ATOM 0 HD1 HIS A 175 -14.056 -4.844 -14.504 1.00 0.00 H new ATOM 0 HD2 HIS A 175 -12.048 -8.475 -13.723 1.00 0.00 H new ATOM 0 HE1 HIS A 175 -13.850 -6.072 -16.758 1.00 0.00 H new ATOM 126 N GLN A 176 -10.848 -4.080 -13.697 1.00 0.00 N ATOM 127 CA GLN A 176 -10.629 -2.831 -14.444 1.00 0.00 C ATOM 128 C GLN A 176 -11.956 -2.157 -14.855 1.00 0.00 C ATOM 129 O GLN A 176 -12.968 -2.823 -15.085 1.00 0.00 O ATOM 130 CB GLN A 176 -9.746 -3.124 -15.674 1.00 0.00 C ATOM 131 CG GLN A 176 -8.237 -3.155 -15.362 1.00 0.00 C ATOM 132 CD GLN A 176 -7.830 -4.126 -14.251 1.00 0.00 C ATOM 133 OE1 GLN A 176 -7.549 -3.735 -13.126 1.00 0.00 O ATOM 134 NE2 GLN A 176 -7.784 -5.417 -14.509 1.00 0.00 N ATOM 0 H GLN A 176 -10.572 -4.913 -14.217 1.00 0.00 H new ATOM 0 HA GLN A 176 -10.117 -2.124 -13.791 1.00 0.00 H new ATOM 0 HB2 GLN A 176 -10.039 -4.083 -16.100 1.00 0.00 H new ATOM 0 HB3 GLN A 176 -9.935 -2.366 -16.434 1.00 0.00 H new ATOM 0 HG2 GLN A 176 -7.698 -3.419 -16.272 1.00 0.00 H new ATOM 0 HG3 GLN A 176 -7.918 -2.151 -15.083 1.00 0.00 H new ATOM 0 HE21 GLN A 176 -8.015 -5.759 -15.442 1.00 0.00 H new ATOM 0 HE22 GLN A 176 -7.517 -6.074 -13.776 1.00 0.00 H new ATOM 143 N ASN A 177 -11.945 -0.824 -14.963 1.00 0.00 N ATOM 144 CA ASN A 177 -13.104 0.007 -15.330 1.00 0.00 C ATOM 145 C ASN A 177 -12.669 1.231 -16.172 1.00 0.00 C ATOM 146 O ASN A 177 -13.053 2.373 -15.903 1.00 0.00 O ATOM 147 CB ASN A 177 -13.867 0.375 -14.039 1.00 0.00 C ATOM 148 CG ASN A 177 -15.217 1.030 -14.305 1.00 0.00 C ATOM 149 OD1 ASN A 177 -15.897 0.759 -15.287 1.00 0.00 O ATOM 150 ND2 ASN A 177 -15.664 1.906 -13.432 1.00 0.00 N ATOM 0 H ASN A 177 -11.104 -0.273 -14.793 1.00 0.00 H new ATOM 0 HA ASN A 177 -13.787 -0.546 -15.974 1.00 0.00 H new ATOM 0 HB2 ASN A 177 -14.019 -0.526 -13.445 1.00 0.00 H new ATOM 0 HB3 ASN A 177 -13.254 1.051 -13.442 1.00 0.00 H new ATOM 0 HD21 ASN A 177 -16.569 2.353 -13.576 1.00 0.00 H new ATOM 0 HD22 ASN A 177 -15.105 2.138 -12.611 1.00 0.00 H new ATOM 157 N ARG A 178 -11.815 0.985 -17.177 1.00 0.00 N ATOM 158 CA ARG A 178 -11.221 1.988 -18.086 1.00 0.00 C ATOM 159 C ARG A 178 -11.297 1.530 -19.548 1.00 0.00 C ATOM 160 O ARG A 178 -11.508 0.349 -19.829 1.00 0.00 O ATOM 161 CB ARG A 178 -9.759 2.259 -17.673 1.00 0.00 C ATOM 162 CG ARG A 178 -9.623 2.837 -16.254 1.00 0.00 C ATOM 163 CD ARG A 178 -8.152 3.068 -15.891 1.00 0.00 C ATOM 164 NE ARG A 178 -8.018 3.539 -14.500 1.00 0.00 N ATOM 165 CZ ARG A 178 -6.919 3.511 -13.763 1.00 0.00 C ATOM 166 NH1 ARG A 178 -5.775 3.064 -14.214 1.00 0.00 N ATOM 167 NH2 ARG A 178 -6.945 3.939 -12.530 1.00 0.00 N ATOM 0 H ARG A 178 -11.502 0.038 -17.392 1.00 0.00 H new ATOM 0 HA ARG A 178 -11.793 2.912 -18.005 1.00 0.00 H new ATOM 0 HB2 ARG A 178 -9.193 1.329 -17.734 1.00 0.00 H new ATOM 0 HB3 ARG A 178 -9.311 2.952 -18.384 1.00 0.00 H new ATOM 0 HG2 ARG A 178 -10.169 3.778 -16.187 1.00 0.00 H new ATOM 0 HG3 ARG A 178 -10.075 2.154 -15.535 1.00 0.00 H new ATOM 0 HD2 ARG A 178 -7.592 2.142 -16.020 1.00 0.00 H new ATOM 0 HD3 ARG A 178 -7.717 3.801 -16.570 1.00 0.00 H new ATOM 0 HE ARG A 178 -8.855 3.924 -14.063 1.00 0.00 H new ATOM 0 HH11 ARG A 178 -5.704 2.718 -15.171 1.00 0.00 H new ATOM 0 HH12 ARG A 178 -4.954 3.062 -13.609 1.00 0.00 H new ATOM 0 HH21 ARG A 178 -7.814 4.296 -12.132 1.00 0.00 H new ATOM 0 HH22 ARG A 178 -6.097 3.916 -11.964 1.00 0.00 H new ATOM 181 N GLU A 179 -11.118 2.465 -20.479 1.00 0.00 N ATOM 182 CA GLU A 179 -11.169 2.230 -21.932 1.00 0.00 C ATOM 183 C GLU A 179 -10.277 3.205 -22.732 1.00 0.00 C ATOM 184 O GLU A 179 -9.677 4.129 -22.175 1.00 0.00 O ATOM 185 CB GLU A 179 -12.637 2.271 -22.423 1.00 0.00 C ATOM 186 CG GLU A 179 -13.342 3.639 -22.354 1.00 0.00 C ATOM 187 CD GLU A 179 -13.666 4.077 -20.919 1.00 0.00 C ATOM 188 OE1 GLU A 179 -14.629 3.524 -20.335 1.00 0.00 O ATOM 189 OE2 GLU A 179 -12.947 4.962 -20.394 1.00 0.00 O ATOM 0 H GLU A 179 -10.927 3.439 -20.242 1.00 0.00 H new ATOM 0 HA GLU A 179 -10.761 1.236 -22.116 1.00 0.00 H new ATOM 0 HB2 GLU A 179 -12.662 1.925 -23.456 1.00 0.00 H new ATOM 0 HB3 GLU A 179 -13.215 1.558 -21.834 1.00 0.00 H new ATOM 0 HG2 GLU A 179 -12.708 4.392 -22.823 1.00 0.00 H new ATOM 0 HG3 GLU A 179 -14.265 3.595 -22.931 1.00 0.00 H new ATOM 196 N MET A 180 -10.210 3.002 -24.052 1.00 0.00 N ATOM 197 CA MET A 180 -9.453 3.803 -25.030 1.00 0.00 C ATOM 198 C MET A 180 -10.296 4.038 -26.302 1.00 0.00 C ATOM 199 O MET A 180 -11.427 3.552 -26.399 1.00 0.00 O ATOM 200 CB MET A 180 -8.124 3.096 -25.365 1.00 0.00 C ATOM 201 CG MET A 180 -7.176 3.018 -24.162 1.00 0.00 C ATOM 202 SD MET A 180 -5.547 2.321 -24.550 1.00 0.00 S ATOM 203 CE MET A 180 -4.763 2.479 -22.922 1.00 0.00 C ATOM 0 H MET A 180 -10.710 2.231 -24.495 1.00 0.00 H new ATOM 0 HA MET A 180 -9.226 4.777 -24.597 1.00 0.00 H new ATOM 0 HB2 MET A 180 -8.334 2.088 -25.723 1.00 0.00 H new ATOM 0 HB3 MET A 180 -7.630 3.627 -26.178 1.00 0.00 H new ATOM 0 HG2 MET A 180 -7.043 4.019 -23.752 1.00 0.00 H new ATOM 0 HG3 MET A 180 -7.642 2.414 -23.384 1.00 0.00 H new ATOM 0 HE1 MET A 180 -3.744 2.096 -22.970 1.00 0.00 H new ATOM 0 HE2 MET A 180 -4.743 3.528 -22.628 1.00 0.00 H new ATOM 0 HE3 MET A 180 -5.331 1.908 -22.188 1.00 0.00 H new ATOM 213 N ILE A 181 -9.762 4.790 -27.276 1.00 0.00 N ATOM 214 CA ILE A 181 -10.439 5.105 -28.548 1.00 0.00 C ATOM 215 C ILE A 181 -10.948 3.839 -29.268 1.00 0.00 C ATOM 216 O ILE A 181 -10.275 2.807 -29.307 1.00 0.00 O ATOM 217 CB ILE A 181 -9.537 6.001 -29.433 1.00 0.00 C ATOM 218 CG1 ILE A 181 -10.267 6.625 -30.644 1.00 0.00 C ATOM 219 CG2 ILE A 181 -8.282 5.264 -29.935 1.00 0.00 C ATOM 220 CD1 ILE A 181 -11.449 7.530 -30.271 1.00 0.00 C ATOM 0 H ILE A 181 -8.833 5.204 -27.203 1.00 0.00 H new ATOM 0 HA ILE A 181 -11.338 5.681 -28.326 1.00 0.00 H new ATOM 0 HB ILE A 181 -9.240 6.811 -28.766 1.00 0.00 H new ATOM 0 HG12 ILE A 181 -9.550 7.204 -31.226 1.00 0.00 H new ATOM 0 HG13 ILE A 181 -10.628 5.823 -31.289 1.00 0.00 H new ATOM 0 HG21 ILE A 181 -7.686 5.938 -30.550 1.00 0.00 H new ATOM 0 HG22 ILE A 181 -7.690 4.932 -29.082 1.00 0.00 H new ATOM 0 HG23 ILE A 181 -8.581 4.400 -30.528 1.00 0.00 H new ATOM 0 HD11 ILE A 181 -11.904 7.926 -31.179 1.00 0.00 H new ATOM 0 HD12 ILE A 181 -12.188 6.953 -29.716 1.00 0.00 H new ATOM 0 HD13 ILE A 181 -11.095 8.355 -29.653 1.00 0.00 H new ATOM 232 N ASP A 182 -12.162 3.916 -29.814 1.00 0.00 N ATOM 233 CA ASP A 182 -12.902 2.811 -30.440 1.00 0.00 C ATOM 234 C ASP A 182 -13.412 3.158 -31.858 1.00 0.00 C ATOM 235 O ASP A 182 -14.614 3.360 -32.062 1.00 0.00 O ATOM 236 CB ASP A 182 -14.014 2.353 -29.469 1.00 0.00 C ATOM 237 CG ASP A 182 -15.135 3.378 -29.205 1.00 0.00 C ATOM 238 OD1 ASP A 182 -14.826 4.575 -28.986 1.00 0.00 O ATOM 239 OD2 ASP A 182 -16.317 2.957 -29.180 1.00 0.00 O ATOM 0 H ASP A 182 -12.685 4.792 -29.835 1.00 0.00 H new ATOM 0 HA ASP A 182 -12.228 1.971 -30.609 1.00 0.00 H new ATOM 0 HB2 ASP A 182 -14.465 1.443 -29.865 1.00 0.00 H new ATOM 0 HB3 ASP A 182 -13.554 2.092 -28.516 1.00 0.00 H new ATOM 244 N PRO A 183 -12.510 3.251 -32.855 1.00 0.00 N ATOM 245 CA PRO A 183 -12.879 3.573 -34.232 1.00 0.00 C ATOM 246 C PRO A 183 -13.572 2.391 -34.932 1.00 0.00 C ATOM 247 O PRO A 183 -13.326 1.223 -34.620 1.00 0.00 O ATOM 248 CB PRO A 183 -11.555 3.923 -34.921 1.00 0.00 C ATOM 249 CG PRO A 183 -10.537 3.052 -34.186 1.00 0.00 C ATOM 250 CD PRO A 183 -11.071 3.030 -32.755 1.00 0.00 C ATOM 0 HA PRO A 183 -13.597 4.392 -34.273 1.00 0.00 H new ATOM 0 HB2 PRO A 183 -11.584 3.696 -35.987 1.00 0.00 H new ATOM 0 HB3 PRO A 183 -11.320 4.983 -34.827 1.00 0.00 H new ATOM 0 HG2 PRO A 183 -10.482 2.050 -34.611 1.00 0.00 H new ATOM 0 HG3 PRO A 183 -9.534 3.475 -34.236 1.00 0.00 H new ATOM 0 HD2 PRO A 183 -10.856 2.076 -32.274 1.00 0.00 H new ATOM 0 HD3 PRO A 183 -10.599 3.805 -32.151 1.00 0.00 H new ATOM 258 N ASP A 184 -14.407 2.691 -35.928 1.00 0.00 N ATOM 259 CA ASP A 184 -15.051 1.674 -36.768 1.00 0.00 C ATOM 260 C ASP A 184 -14.074 1.243 -37.878 1.00 0.00 C ATOM 261 O ASP A 184 -13.446 2.096 -38.517 1.00 0.00 O ATOM 262 CB ASP A 184 -16.352 2.224 -37.369 1.00 0.00 C ATOM 263 CG ASP A 184 -17.405 2.497 -36.290 1.00 0.00 C ATOM 264 OD1 ASP A 184 -17.929 1.511 -35.719 1.00 0.00 O ATOM 265 OD2 ASP A 184 -17.689 3.692 -36.035 1.00 0.00 O ATOM 0 H ASP A 184 -14.658 3.648 -36.177 1.00 0.00 H new ATOM 0 HA ASP A 184 -15.305 0.806 -36.160 1.00 0.00 H new ATOM 0 HB2 ASP A 184 -16.141 3.145 -37.912 1.00 0.00 H new ATOM 0 HB3 ASP A 184 -16.748 1.511 -38.092 1.00 0.00 H new ATOM 270 N LYS A 185 -13.933 -0.068 -38.115 1.00 0.00 N ATOM 271 CA LYS A 185 -13.006 -0.644 -39.102 1.00 0.00 C ATOM 272 C LYS A 185 -13.647 -1.805 -39.864 1.00 0.00 C ATOM 273 O LYS A 185 -14.622 -2.399 -39.404 1.00 0.00 O ATOM 274 CB LYS A 185 -11.735 -1.115 -38.373 1.00 0.00 C ATOM 275 CG LYS A 185 -10.842 0.036 -37.883 1.00 0.00 C ATOM 276 CD LYS A 185 -9.572 -0.513 -37.212 1.00 0.00 C ATOM 277 CE LYS A 185 -8.636 0.603 -36.733 1.00 0.00 C ATOM 278 NZ LYS A 185 -8.032 1.339 -37.864 1.00 0.00 N ATOM 0 H LYS A 185 -14.472 -0.775 -37.615 1.00 0.00 H new ATOM 0 HA LYS A 185 -12.752 0.121 -39.836 1.00 0.00 H new ATOM 0 HB2 LYS A 185 -12.023 -1.729 -37.519 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -11.157 -1.752 -39.043 1.00 0.00 H new ATOM 0 HG2 LYS A 185 -10.569 0.675 -38.723 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -11.394 0.656 -37.177 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -9.853 -1.137 -36.364 1.00 0.00 H new ATOM 0 HD3 LYS A 185 -9.040 -1.153 -37.916 1.00 0.00 H new ATOM 0 HE2 LYS A 185 -9.192 1.298 -36.103 1.00 0.00 H new ATOM 0 HE3 LYS A 185 -7.846 0.175 -36.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 -7.355 2.039 -37.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 -7.537 0.671 -38.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 -8.779 1.825 -38.400 1.00 0.00 H new ATOM 292 N PHE A 186 -13.078 -2.137 -41.022 1.00 0.00 N ATOM 293 CA PHE A 186 -13.547 -3.210 -41.903 1.00 0.00 C ATOM 294 C PHE A 186 -12.374 -3.893 -42.623 1.00 0.00 C ATOM 295 O PHE A 186 -11.628 -3.246 -43.366 1.00 0.00 O ATOM 296 CB PHE A 186 -14.549 -2.622 -42.912 1.00 0.00 C ATOM 297 CG PHE A 186 -15.051 -3.602 -43.959 1.00 0.00 C ATOM 298 CD1 PHE A 186 -15.876 -4.676 -43.580 1.00 0.00 C ATOM 299 CD2 PHE A 186 -14.702 -3.441 -45.314 1.00 0.00 C ATOM 300 CE1 PHE A 186 -16.333 -5.598 -44.539 1.00 0.00 C ATOM 301 CE2 PHE A 186 -15.180 -4.347 -46.279 1.00 0.00 C ATOM 302 CZ PHE A 186 -15.988 -5.431 -45.891 1.00 0.00 C ATOM 0 H PHE A 186 -12.256 -1.655 -41.385 1.00 0.00 H new ATOM 0 HA PHE A 186 -14.041 -3.976 -41.305 1.00 0.00 H new ATOM 0 HB2 PHE A 186 -15.405 -2.228 -42.364 1.00 0.00 H new ATOM 0 HB3 PHE A 186 -14.079 -1.779 -43.419 1.00 0.00 H new ATOM 0 HD1 PHE A 186 -16.161 -4.794 -42.545 1.00 0.00 H new ATOM 0 HD2 PHE A 186 -14.066 -2.621 -45.613 1.00 0.00 H new ATOM 0 HE1 PHE A 186 -16.948 -6.433 -44.237 1.00 0.00 H new ATOM 0 HE2 PHE A 186 -14.926 -4.210 -47.320 1.00 0.00 H new ATOM 0 HZ PHE A 186 -16.343 -6.134 -46.631 1.00 0.00 H new ATOM 312 N CYS A 187 -12.230 -5.205 -42.420 1.00 0.00 N ATOM 313 CA CYS A 187 -11.226 -6.047 -43.063 1.00 0.00 C ATOM 314 C CYS A 187 -11.783 -6.501 -44.427 1.00 0.00 C ATOM 315 O CYS A 187 -12.469 -7.521 -44.545 1.00 0.00 O ATOM 316 CB CYS A 187 -10.857 -7.210 -42.123 1.00 0.00 C ATOM 317 SG CYS A 187 -9.266 -7.956 -42.605 1.00 0.00 S ATOM 0 H CYS A 187 -12.831 -5.725 -41.781 1.00 0.00 H new ATOM 0 HA CYS A 187 -10.299 -5.506 -43.253 1.00 0.00 H new ATOM 0 HB2 CYS A 187 -10.797 -6.848 -41.096 1.00 0.00 H new ATOM 0 HB3 CYS A 187 -11.641 -7.967 -42.149 1.00 0.00 H new ATOM 322 N SER A 188 -11.554 -5.694 -45.469 1.00 0.00 N ATOM 323 CA SER A 188 -12.074 -5.938 -46.826 1.00 0.00 C ATOM 324 C SER A 188 -11.598 -7.259 -47.460 1.00 0.00 C ATOM 325 O SER A 188 -12.231 -7.763 -48.391 1.00 0.00 O ATOM 326 CB SER A 188 -11.727 -4.747 -47.730 1.00 0.00 C ATOM 327 OG SER A 188 -12.520 -4.732 -48.907 1.00 0.00 O ATOM 0 H SER A 188 -10.997 -4.843 -45.397 1.00 0.00 H new ATOM 0 HA SER A 188 -13.155 -6.040 -46.729 1.00 0.00 H new ATOM 0 HB2 SER A 188 -11.875 -3.818 -47.180 1.00 0.00 H new ATOM 0 HB3 SER A 188 -10.673 -4.792 -48.002 1.00 0.00 H new ATOM 0 HG SER A 188 -12.273 -3.960 -49.458 1.00 0.00 H new ATOM 333 N LEU A 189 -10.504 -7.839 -46.955 1.00 0.00 N ATOM 334 CA LEU A 189 -9.933 -9.106 -47.426 1.00 0.00 C ATOM 335 C LEU A 189 -10.600 -10.338 -46.766 1.00 0.00 C ATOM 336 O LEU A 189 -10.510 -11.441 -47.314 1.00 0.00 O ATOM 337 CB LEU A 189 -8.412 -9.108 -47.167 1.00 0.00 C ATOM 338 CG LEU A 189 -7.575 -8.182 -48.078 1.00 0.00 C ATOM 339 CD1 LEU A 189 -7.738 -6.684 -47.797 1.00 0.00 C ATOM 340 CD2 LEU A 189 -6.091 -8.511 -47.905 1.00 0.00 C ATOM 0 H LEU A 189 -9.976 -7.428 -46.185 1.00 0.00 H new ATOM 0 HA LEU A 189 -10.127 -9.184 -48.496 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -8.238 -8.820 -46.130 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -8.044 -10.128 -47.281 1.00 0.00 H new ATOM 0 HG LEU A 189 -7.942 -8.368 -49.087 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -7.113 -6.115 -48.485 1.00 0.00 H new ATOM 0 HD12 LEU A 189 -8.781 -6.399 -47.934 1.00 0.00 H new ATOM 0 HD13 LEU A 189 -7.436 -6.471 -46.772 1.00 0.00 H new ATOM 0 HD21 LEU A 189 -5.497 -7.860 -48.546 1.00 0.00 H new ATOM 0 HD22 LEU A 189 -5.803 -8.357 -46.865 1.00 0.00 H new ATOM 0 HD23 LEU A 189 -5.914 -9.551 -48.180 1.00 0.00 H new ATOM 352 N CYS A 190 -11.277 -10.146 -45.625 1.00 0.00 N ATOM 353 CA CYS A 190 -11.935 -11.182 -44.814 1.00 0.00 C ATOM 354 C CYS A 190 -13.465 -11.000 -44.687 1.00 0.00 C ATOM 355 O CYS A 190 -14.156 -11.912 -44.221 1.00 0.00 O ATOM 356 CB CYS A 190 -11.310 -11.139 -43.404 1.00 0.00 C ATOM 357 SG CYS A 190 -9.517 -11.459 -43.395 1.00 0.00 S ATOM 0 H CYS A 190 -11.386 -9.216 -45.221 1.00 0.00 H new ATOM 0 HA CYS A 190 -11.781 -12.138 -45.314 1.00 0.00 H new ATOM 0 HB2 CYS A 190 -11.499 -10.161 -42.961 1.00 0.00 H new ATOM 0 HB3 CYS A 190 -11.806 -11.876 -42.773 1.00 0.00 H new ATOM 362 N HIS A 191 -13.991 -9.831 -45.075 1.00 0.00 N ATOM 363 CA HIS A 191 -15.398 -9.418 -44.958 1.00 0.00 C ATOM 364 C HIS A 191 -15.884 -9.453 -43.493 1.00 0.00 C ATOM 365 O HIS A 191 -16.850 -10.136 -43.143 1.00 0.00 O ATOM 366 CB HIS A 191 -16.276 -10.176 -45.973 1.00 0.00 C ATOM 367 CG HIS A 191 -17.581 -9.476 -46.263 1.00 0.00 C ATOM 368 ND1 HIS A 191 -18.735 -9.547 -45.504 1.00 0.00 N ATOM 369 CD2 HIS A 191 -17.833 -8.645 -47.321 1.00 0.00 C ATOM 370 CE1 HIS A 191 -19.670 -8.773 -46.085 1.00 0.00 C ATOM 371 NE2 HIS A 191 -19.141 -8.215 -47.193 1.00 0.00 N ATOM 0 H HIS A 191 -13.415 -9.106 -45.503 1.00 0.00 H new ATOM 0 HA HIS A 191 -15.493 -8.368 -45.236 1.00 0.00 H new ATOM 0 HB2 HIS A 191 -15.722 -10.299 -46.903 1.00 0.00 H new ATOM 0 HB3 HIS A 191 -16.483 -11.175 -45.591 1.00 0.00 H new ATOM 0 HD2 HIS A 191 -17.142 -8.376 -48.106 1.00 0.00 H new ATOM 0 HE1 HIS A 191 -20.677 -8.623 -45.724 1.00 0.00 H new ATOM 0 HE2 HIS A 191 -19.625 -7.582 -47.830 1.00 0.00 H new ATOM 380 N ALA A 192 -15.182 -8.710 -42.631 1.00 0.00 N ATOM 381 CA ALA A 192 -15.436 -8.594 -41.190 1.00 0.00 C ATOM 382 C ALA A 192 -15.384 -7.119 -40.741 1.00 0.00 C ATOM 383 O ALA A 192 -14.566 -6.351 -41.245 1.00 0.00 O ATOM 384 CB ALA A 192 -14.396 -9.449 -40.450 1.00 0.00 C ATOM 0 H ALA A 192 -14.386 -8.148 -42.931 1.00 0.00 H new ATOM 0 HA ALA A 192 -16.436 -8.957 -40.953 1.00 0.00 H new ATOM 0 HB1 ALA A 192 -14.565 -9.378 -39.376 1.00 0.00 H new ATOM 0 HB2 ALA A 192 -14.489 -10.488 -40.764 1.00 0.00 H new ATOM 0 HB3 ALA A 192 -13.395 -9.088 -40.684 1.00 0.00 H new ATOM 390 N THR A 193 -16.246 -6.723 -39.796 1.00 0.00 N ATOM 391 CA THR A 193 -16.378 -5.333 -39.297 1.00 0.00 C ATOM 392 C THR A 193 -16.120 -5.259 -37.789 1.00 0.00 C ATOM 393 O THR A 193 -16.500 -6.177 -37.056 1.00 0.00 O ATOM 394 CB THR A 193 -17.789 -4.781 -39.596 1.00 0.00 C ATOM 395 OG1 THR A 193 -18.186 -5.061 -40.925 1.00 0.00 O ATOM 396 CG2 THR A 193 -17.893 -3.263 -39.442 1.00 0.00 C ATOM 0 H THR A 193 -16.890 -7.370 -39.341 1.00 0.00 H new ATOM 0 HA THR A 193 -15.632 -4.729 -39.813 1.00 0.00 H new ATOM 0 HB THR A 193 -18.429 -5.276 -38.866 1.00 0.00 H new ATOM 0 HG1 THR A 193 -19.084 -4.700 -41.081 1.00 0.00 H new ATOM 0 HG21 THR A 193 -18.910 -2.943 -39.667 1.00 0.00 H new ATOM 0 HG22 THR A 193 -17.643 -2.983 -38.419 1.00 0.00 H new ATOM 0 HG23 THR A 193 -17.200 -2.779 -40.130 1.00 0.00 H new ATOM 404 N PHE A 194 -15.500 -4.172 -37.310 1.00 0.00 N ATOM 405 CA PHE A 194 -15.148 -3.970 -35.896 1.00 0.00 C ATOM 406 C PHE A 194 -15.517 -2.555 -35.428 1.00 0.00 C ATOM 407 O PHE A 194 -15.564 -1.619 -36.228 1.00 0.00 O ATOM 408 CB PHE A 194 -13.639 -4.227 -35.682 1.00 0.00 C ATOM 409 CG PHE A 194 -13.037 -5.302 -36.573 1.00 0.00 C ATOM 410 CD1 PHE A 194 -13.458 -6.640 -36.462 1.00 0.00 C ATOM 411 CD2 PHE A 194 -12.125 -4.942 -37.585 1.00 0.00 C ATOM 412 CE1 PHE A 194 -13.015 -7.598 -37.391 1.00 0.00 C ATOM 413 CE2 PHE A 194 -11.676 -5.900 -38.506 1.00 0.00 C ATOM 414 CZ PHE A 194 -12.139 -7.222 -38.424 1.00 0.00 C ATOM 0 H PHE A 194 -15.223 -3.392 -37.906 1.00 0.00 H new ATOM 0 HA PHE A 194 -15.720 -4.681 -35.300 1.00 0.00 H new ATOM 0 HB2 PHE A 194 -13.100 -3.294 -35.849 1.00 0.00 H new ATOM 0 HB3 PHE A 194 -13.478 -4.507 -34.641 1.00 0.00 H new ATOM 0 HD1 PHE A 194 -14.122 -6.932 -35.662 1.00 0.00 H new ATOM 0 HD2 PHE A 194 -11.770 -3.924 -37.652 1.00 0.00 H new ATOM 0 HE1 PHE A 194 -13.348 -8.622 -37.311 1.00 0.00 H new ATOM 0 HE2 PHE A 194 -10.974 -5.620 -39.278 1.00 0.00 H new ATOM 0 HZ PHE A 194 -11.822 -7.951 -39.155 1.00 0.00 H new ATOM 424 N ASN A 195 -15.772 -2.405 -34.127 1.00 0.00 N ATOM 425 CA ASN A 195 -16.172 -1.149 -33.476 1.00 0.00 C ATOM 426 C ASN A 195 -15.504 -0.939 -32.097 1.00 0.00 C ATOM 427 O ASN A 195 -15.985 -0.155 -31.281 1.00 0.00 O ATOM 428 CB ASN A 195 -17.713 -1.108 -33.397 1.00 0.00 C ATOM 429 CG ASN A 195 -18.316 -2.091 -32.397 1.00 0.00 C ATOM 430 OD1 ASN A 195 -17.827 -3.191 -32.173 1.00 0.00 O ATOM 431 ND2 ASN A 195 -19.413 -1.733 -31.766 1.00 0.00 N ATOM 0 H ASN A 195 -15.704 -3.182 -33.470 1.00 0.00 H new ATOM 0 HA ASN A 195 -15.817 -0.314 -34.080 1.00 0.00 H new ATOM 0 HB2 ASN A 195 -18.025 -0.098 -33.130 1.00 0.00 H new ATOM 0 HB3 ASN A 195 -18.122 -1.317 -34.386 1.00 0.00 H new ATOM 0 HD21 ASN A 195 -19.848 -2.369 -31.098 1.00 0.00 H new ATOM 0 HD22 ASN A 195 -19.829 -0.819 -31.945 1.00 0.00 H new ATOM 438 N ASP A 196 -14.396 -1.638 -31.827 1.00 0.00 N ATOM 439 CA ASP A 196 -13.605 -1.569 -30.590 1.00 0.00 C ATOM 440 C ASP A 196 -12.119 -1.849 -30.893 1.00 0.00 C ATOM 441 O ASP A 196 -11.822 -2.571 -31.854 1.00 0.00 O ATOM 442 CB ASP A 196 -14.148 -2.580 -29.563 1.00 0.00 C ATOM 443 CG ASP A 196 -15.369 -2.046 -28.806 1.00 0.00 C ATOM 444 OD1 ASP A 196 -15.190 -1.075 -28.032 1.00 0.00 O ATOM 445 OD2 ASP A 196 -16.469 -2.626 -28.968 1.00 0.00 O ATOM 0 H ASP A 196 -14.006 -2.300 -32.497 1.00 0.00 H new ATOM 0 HA ASP A 196 -13.687 -0.567 -30.170 1.00 0.00 H new ATOM 0 HB2 ASP A 196 -14.417 -3.504 -30.074 1.00 0.00 H new ATOM 0 HB3 ASP A 196 -13.362 -2.827 -28.850 1.00 0.00 H new ATOM 450 N PRO A 197 -11.174 -1.309 -30.094 1.00 0.00 N ATOM 451 CA PRO A 197 -9.740 -1.468 -30.347 1.00 0.00 C ATOM 452 C PRO A 197 -9.279 -2.924 -30.269 1.00 0.00 C ATOM 453 O PRO A 197 -8.571 -3.418 -31.147 1.00 0.00 O ATOM 454 CB PRO A 197 -9.027 -0.626 -29.275 1.00 0.00 C ATOM 455 CG PRO A 197 -10.070 -0.403 -28.180 1.00 0.00 C ATOM 456 CD PRO A 197 -11.402 -0.478 -28.917 1.00 0.00 C ATOM 0 HA PRO A 197 -9.504 -1.142 -31.360 1.00 0.00 H new ATOM 0 HB2 PRO A 197 -8.151 -1.145 -28.885 1.00 0.00 H new ATOM 0 HB3 PRO A 197 -8.679 0.322 -29.686 1.00 0.00 H new ATOM 0 HG2 PRO A 197 -10.001 -1.164 -27.402 1.00 0.00 H new ATOM 0 HG3 PRO A 197 -9.937 0.563 -27.693 1.00 0.00 H new ATOM 0 HD2 PRO A 197 -12.175 -0.909 -28.280 1.00 0.00 H new ATOM 0 HD3 PRO A 197 -11.744 0.516 -29.204 1.00 0.00 H new ATOM 464 N VAL A 198 -9.692 -3.616 -29.206 1.00 0.00 N ATOM 465 CA VAL A 198 -9.321 -5.011 -28.944 1.00 0.00 C ATOM 466 C VAL A 198 -10.011 -5.954 -29.930 1.00 0.00 C ATOM 467 O VAL A 198 -9.379 -6.894 -30.397 1.00 0.00 O ATOM 468 CB VAL A 198 -9.598 -5.360 -27.469 1.00 0.00 C ATOM 469 CG1 VAL A 198 -9.253 -6.815 -27.131 1.00 0.00 C ATOM 470 CG2 VAL A 198 -8.751 -4.449 -26.562 1.00 0.00 C ATOM 0 H VAL A 198 -10.302 -3.219 -28.492 1.00 0.00 H new ATOM 0 HA VAL A 198 -8.251 -5.141 -29.106 1.00 0.00 H new ATOM 0 HB VAL A 198 -10.665 -5.214 -27.304 1.00 0.00 H new ATOM 0 HG11 VAL A 198 -9.468 -7.005 -26.079 1.00 0.00 H new ATOM 0 HG12 VAL A 198 -9.851 -7.484 -27.750 1.00 0.00 H new ATOM 0 HG13 VAL A 198 -8.195 -6.992 -27.323 1.00 0.00 H new ATOM 0 HG21 VAL A 198 -8.945 -4.694 -25.518 1.00 0.00 H new ATOM 0 HG22 VAL A 198 -7.694 -4.600 -26.780 1.00 0.00 H new ATOM 0 HG23 VAL A 198 -9.014 -3.407 -26.745 1.00 0.00 H new ATOM 480 N MET A 199 -11.263 -5.684 -30.323 1.00 0.00 N ATOM 481 CA MET A 199 -11.973 -6.483 -31.335 1.00 0.00 C ATOM 482 C MET A 199 -11.231 -6.445 -32.681 1.00 0.00 C ATOM 483 O MET A 199 -10.981 -7.490 -33.286 1.00 0.00 O ATOM 484 CB MET A 199 -13.414 -5.965 -31.477 1.00 0.00 C ATOM 485 CG MET A 199 -14.259 -6.788 -32.457 1.00 0.00 C ATOM 486 SD MET A 199 -14.485 -8.531 -32.006 1.00 0.00 S ATOM 487 CE MET A 199 -15.410 -9.096 -33.460 1.00 0.00 C ATOM 0 H MET A 199 -11.812 -4.909 -29.951 1.00 0.00 H new ATOM 0 HA MET A 199 -12.005 -7.524 -31.012 1.00 0.00 H new ATOM 0 HB2 MET A 199 -13.894 -5.973 -30.498 1.00 0.00 H new ATOM 0 HB3 MET A 199 -13.389 -4.928 -31.811 1.00 0.00 H new ATOM 0 HG2 MET A 199 -15.240 -6.322 -32.546 1.00 0.00 H new ATOM 0 HG3 MET A 199 -13.793 -6.741 -33.441 1.00 0.00 H new ATOM 0 HE1 MET A 199 -15.638 -10.157 -33.356 1.00 0.00 H new ATOM 0 HE2 MET A 199 -16.339 -8.531 -33.543 1.00 0.00 H new ATOM 0 HE3 MET A 199 -14.810 -8.940 -34.356 1.00 0.00 H new ATOM 497 N ALA A 200 -10.825 -5.246 -33.117 1.00 0.00 N ATOM 498 CA ALA A 200 -10.030 -5.061 -34.330 1.00 0.00 C ATOM 499 C ALA A 200 -8.689 -5.807 -34.229 1.00 0.00 C ATOM 500 O ALA A 200 -8.353 -6.622 -35.090 1.00 0.00 O ATOM 501 CB ALA A 200 -9.794 -3.559 -34.536 1.00 0.00 C ATOM 0 H ALA A 200 -11.042 -4.375 -32.633 1.00 0.00 H new ATOM 0 HA ALA A 200 -10.570 -5.473 -35.183 1.00 0.00 H new ATOM 0 HB1 ALA A 200 -9.202 -3.404 -35.438 1.00 0.00 H new ATOM 0 HB2 ALA A 200 -10.753 -3.051 -34.640 1.00 0.00 H new ATOM 0 HB3 ALA A 200 -9.260 -3.153 -33.677 1.00 0.00 H new ATOM 507 N GLN A 201 -7.934 -5.548 -33.154 1.00 0.00 N ATOM 508 CA GLN A 201 -6.627 -6.156 -32.919 1.00 0.00 C ATOM 509 C GLN A 201 -6.679 -7.695 -32.886 1.00 0.00 C ATOM 510 O GLN A 201 -5.828 -8.348 -33.490 1.00 0.00 O ATOM 511 CB GLN A 201 -6.035 -5.581 -31.620 1.00 0.00 C ATOM 512 CG GLN A 201 -4.586 -6.031 -31.375 1.00 0.00 C ATOM 513 CD GLN A 201 -3.979 -5.379 -30.132 1.00 0.00 C ATOM 514 OE1 GLN A 201 -4.569 -5.332 -29.060 1.00 0.00 O ATOM 515 NE2 GLN A 201 -2.775 -4.849 -30.217 1.00 0.00 N ATOM 0 H GLN A 201 -8.220 -4.903 -32.418 1.00 0.00 H new ATOM 0 HA GLN A 201 -5.979 -5.907 -33.759 1.00 0.00 H new ATOM 0 HB2 GLN A 201 -6.070 -4.492 -31.661 1.00 0.00 H new ATOM 0 HB3 GLN A 201 -6.654 -5.889 -30.777 1.00 0.00 H new ATOM 0 HG2 GLN A 201 -4.558 -7.115 -31.264 1.00 0.00 H new ATOM 0 HG3 GLN A 201 -3.979 -5.784 -32.246 1.00 0.00 H new ATOM 0 HE21 GLN A 201 -2.266 -4.878 -31.101 1.00 0.00 H new ATOM 0 HE22 GLN A 201 -2.352 -4.410 -29.399 1.00 0.00 H new ATOM 524 N GLN A 202 -7.683 -8.278 -32.217 1.00 0.00 N ATOM 525 CA GLN A 202 -7.877 -9.728 -32.112 1.00 0.00 C ATOM 526 C GLN A 202 -8.128 -10.376 -33.479 1.00 0.00 C ATOM 527 O GLN A 202 -7.603 -11.461 -33.735 1.00 0.00 O ATOM 528 CB GLN A 202 -9.029 -10.046 -31.140 1.00 0.00 C ATOM 529 CG GLN A 202 -8.624 -9.906 -29.662 1.00 0.00 C ATOM 530 CD GLN A 202 -7.670 -11.009 -29.204 1.00 0.00 C ATOM 531 OE1 GLN A 202 -6.456 -10.857 -29.190 1.00 0.00 O ATOM 532 NE2 GLN A 202 -8.173 -12.163 -28.815 1.00 0.00 N ATOM 0 H GLN A 202 -8.397 -7.742 -31.724 1.00 0.00 H new ATOM 0 HA GLN A 202 -6.954 -10.154 -31.719 1.00 0.00 H new ATOM 0 HB2 GLN A 202 -9.866 -9.379 -31.346 1.00 0.00 H new ATOM 0 HB3 GLN A 202 -9.379 -11.062 -31.320 1.00 0.00 H new ATOM 0 HG2 GLN A 202 -8.151 -8.936 -29.510 1.00 0.00 H new ATOM 0 HG3 GLN A 202 -9.520 -9.925 -29.041 1.00 0.00 H new ATOM 0 HE21 GLN A 202 -9.183 -12.307 -28.820 1.00 0.00 H new ATOM 0 HE22 GLN A 202 -7.553 -12.912 -28.509 1.00 0.00 H new ATOM 541 N HIS A 203 -8.873 -9.719 -34.377 1.00 0.00 N ATOM 542 CA HIS A 203 -9.088 -10.245 -35.730 1.00 0.00 C ATOM 543 C HIS A 203 -7.757 -10.336 -36.493 1.00 0.00 C ATOM 544 O HIS A 203 -7.423 -11.397 -37.018 1.00 0.00 O ATOM 545 CB HIS A 203 -10.101 -9.391 -36.506 1.00 0.00 C ATOM 546 CG HIS A 203 -10.354 -9.927 -37.898 1.00 0.00 C ATOM 547 ND1 HIS A 203 -11.335 -10.824 -38.266 1.00 0.00 N ATOM 548 CD2 HIS A 203 -9.627 -9.649 -39.029 1.00 0.00 C ATOM 549 CE1 HIS A 203 -11.191 -11.084 -39.580 1.00 0.00 C ATOM 550 NE2 HIS A 203 -10.152 -10.399 -40.089 1.00 0.00 N ATOM 0 H HIS A 203 -9.334 -8.828 -34.193 1.00 0.00 H new ATOM 0 HA HIS A 203 -9.502 -11.249 -35.636 1.00 0.00 H new ATOM 0 HB2 HIS A 203 -11.041 -9.356 -35.956 1.00 0.00 H new ATOM 0 HB3 HIS A 203 -9.734 -8.367 -36.574 1.00 0.00 H new ATOM 0 HD1 HIS A 203 -12.045 -11.221 -37.651 1.00 0.00 H new ATOM 0 HD2 HIS A 203 -8.792 -8.967 -39.091 1.00 0.00 H new ATOM 0 HE1 HIS A 203 -11.823 -11.751 -40.147 1.00 0.00 H new ATOM 558 N TYR A 204 -6.973 -9.250 -36.514 1.00 0.00 N ATOM 559 CA TYR A 204 -5.681 -9.167 -37.213 1.00 0.00 C ATOM 560 C TYR A 204 -4.605 -10.182 -36.761 1.00 0.00 C ATOM 561 O TYR A 204 -3.585 -10.325 -37.440 1.00 0.00 O ATOM 562 CB TYR A 204 -5.151 -7.723 -37.145 1.00 0.00 C ATOM 563 CG TYR A 204 -6.093 -6.642 -37.663 1.00 0.00 C ATOM 564 CD1 TYR A 204 -6.869 -6.857 -38.822 1.00 0.00 C ATOM 565 CD2 TYR A 204 -6.184 -5.406 -36.990 1.00 0.00 C ATOM 566 CE1 TYR A 204 -7.760 -5.868 -39.279 1.00 0.00 C ATOM 567 CE2 TYR A 204 -7.064 -4.407 -37.451 1.00 0.00 C ATOM 568 CZ TYR A 204 -7.862 -4.638 -38.593 1.00 0.00 C ATOM 569 OH TYR A 204 -8.708 -3.667 -39.036 1.00 0.00 O ATOM 0 H TYR A 204 -7.224 -8.385 -36.035 1.00 0.00 H new ATOM 0 HA TYR A 204 -5.887 -9.453 -38.244 1.00 0.00 H new ATOM 0 HB2 TYR A 204 -4.904 -7.496 -36.108 1.00 0.00 H new ATOM 0 HB3 TYR A 204 -4.222 -7.671 -37.713 1.00 0.00 H new ATOM 0 HD1 TYR A 204 -6.778 -7.788 -39.362 1.00 0.00 H new ATOM 0 HD2 TYR A 204 -5.576 -5.224 -36.116 1.00 0.00 H new ATOM 0 HE1 TYR A 204 -8.366 -6.050 -40.154 1.00 0.00 H new ATOM 0 HE2 TYR A 204 -7.128 -3.463 -36.930 1.00 0.00 H new ATOM 0 HH TYR A 204 -9.474 -4.081 -39.485 1.00 0.00 H new ATOM 579 N VAL A 205 -4.824 -10.911 -35.657 1.00 0.00 N ATOM 580 CA VAL A 205 -3.920 -11.958 -35.131 1.00 0.00 C ATOM 581 C VAL A 205 -4.610 -13.327 -34.987 1.00 0.00 C ATOM 582 O VAL A 205 -3.998 -14.279 -34.500 1.00 0.00 O ATOM 583 CB VAL A 205 -3.237 -11.530 -33.812 1.00 0.00 C ATOM 584 CG1 VAL A 205 -2.473 -10.209 -33.972 1.00 0.00 C ATOM 585 CG2 VAL A 205 -4.213 -11.399 -32.637 1.00 0.00 C ATOM 0 H VAL A 205 -5.659 -10.789 -35.084 1.00 0.00 H new ATOM 0 HA VAL A 205 -3.138 -12.079 -35.881 1.00 0.00 H new ATOM 0 HB VAL A 205 -2.539 -12.335 -33.582 1.00 0.00 H new ATOM 0 HG11 VAL A 205 -2.007 -9.941 -33.024 1.00 0.00 H new ATOM 0 HG12 VAL A 205 -1.703 -10.324 -34.735 1.00 0.00 H new ATOM 0 HG13 VAL A 205 -3.166 -9.422 -34.271 1.00 0.00 H new ATOM 0 HG21 VAL A 205 -3.668 -11.096 -31.743 1.00 0.00 H new ATOM 0 HG22 VAL A 205 -4.968 -10.649 -32.873 1.00 0.00 H new ATOM 0 HG23 VAL A 205 -4.698 -12.359 -32.458 1.00 0.00 H new ATOM 595 N GLY A 206 -5.870 -13.456 -35.420 1.00 0.00 N ATOM 596 CA GLY A 206 -6.642 -14.701 -35.366 1.00 0.00 C ATOM 597 C GLY A 206 -6.366 -15.608 -36.568 1.00 0.00 C ATOM 598 O GLY A 206 -6.065 -15.134 -37.666 1.00 0.00 O ATOM 0 H GLY A 206 -6.392 -12.680 -35.827 1.00 0.00 H new ATOM 0 HA2 GLY A 206 -6.401 -15.236 -34.447 1.00 0.00 H new ATOM 0 HA3 GLY A 206 -7.706 -14.465 -35.328 1.00 0.00 H new ATOM 602 N LYS A 207 -6.464 -16.932 -36.385 1.00 0.00 N ATOM 603 CA LYS A 207 -6.202 -17.944 -37.434 1.00 0.00 C ATOM 604 C LYS A 207 -6.987 -17.697 -38.730 1.00 0.00 C ATOM 605 O LYS A 207 -6.441 -17.865 -39.821 1.00 0.00 O ATOM 606 CB LYS A 207 -6.478 -19.344 -36.848 1.00 0.00 C ATOM 607 CG LYS A 207 -6.086 -20.519 -37.764 1.00 0.00 C ATOM 608 CD LYS A 207 -4.597 -20.588 -38.153 1.00 0.00 C ATOM 609 CE LYS A 207 -3.635 -20.628 -36.956 1.00 0.00 C ATOM 610 NZ LYS A 207 -3.838 -21.833 -36.123 1.00 0.00 N ATOM 0 H LYS A 207 -6.732 -17.343 -35.491 1.00 0.00 H new ATOM 0 HA LYS A 207 -5.155 -17.868 -37.729 1.00 0.00 H new ATOM 0 HB2 LYS A 207 -5.938 -19.441 -35.906 1.00 0.00 H new ATOM 0 HB3 LYS A 207 -7.540 -19.422 -36.616 1.00 0.00 H new ATOM 0 HG2 LYS A 207 -6.357 -21.450 -37.267 1.00 0.00 H new ATOM 0 HG3 LYS A 207 -6.680 -20.460 -38.676 1.00 0.00 H new ATOM 0 HD2 LYS A 207 -4.434 -21.475 -38.766 1.00 0.00 H new ATOM 0 HD3 LYS A 207 -4.354 -19.724 -38.771 1.00 0.00 H new ATOM 0 HE2 LYS A 207 -2.607 -20.605 -37.316 1.00 0.00 H new ATOM 0 HE3 LYS A 207 -3.779 -19.737 -36.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 -3.169 -21.821 -35.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 -4.812 -21.842 -35.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 -3.676 -22.684 -36.698 1.00 0.00 H new ATOM 624 N LYS A 208 -8.246 -17.258 -38.620 1.00 0.00 N ATOM 625 CA LYS A 208 -9.121 -16.939 -39.764 1.00 0.00 C ATOM 626 C LYS A 208 -8.564 -15.824 -40.658 1.00 0.00 C ATOM 627 O LYS A 208 -8.670 -15.938 -41.876 1.00 0.00 O ATOM 628 CB LYS A 208 -10.538 -16.592 -39.276 1.00 0.00 C ATOM 629 CG LYS A 208 -11.248 -17.813 -38.669 1.00 0.00 C ATOM 630 CD LYS A 208 -12.694 -17.479 -38.280 1.00 0.00 C ATOM 631 CE LYS A 208 -13.385 -18.720 -37.705 1.00 0.00 C ATOM 632 NZ LYS A 208 -14.788 -18.430 -37.342 1.00 0.00 N ATOM 0 H LYS A 208 -8.698 -17.110 -37.718 1.00 0.00 H new ATOM 0 HA LYS A 208 -9.164 -17.834 -40.384 1.00 0.00 H new ATOM 0 HB2 LYS A 208 -10.482 -15.797 -38.532 1.00 0.00 H new ATOM 0 HB3 LYS A 208 -11.125 -16.207 -40.110 1.00 0.00 H new ATOM 0 HG2 LYS A 208 -11.242 -18.634 -39.386 1.00 0.00 H new ATOM 0 HG3 LYS A 208 -10.702 -18.154 -37.790 1.00 0.00 H new ATOM 0 HD2 LYS A 208 -12.704 -16.674 -37.545 1.00 0.00 H new ATOM 0 HD3 LYS A 208 -13.240 -17.121 -39.153 1.00 0.00 H new ATOM 0 HE2 LYS A 208 -13.355 -19.528 -38.436 1.00 0.00 H new ATOM 0 HE3 LYS A 208 -12.843 -19.066 -36.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 208 -15.231 -19.288 -36.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 208 -14.813 -17.675 -36.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 208 -15.309 -18.122 -38.188 1.00 0.00 H new ATOM 646 N HIS A 209 -7.929 -14.794 -40.090 1.00 0.00 N ATOM 647 CA HIS A 209 -7.323 -13.695 -40.861 1.00 0.00 C ATOM 648 C HIS A 209 -6.155 -14.198 -41.715 1.00 0.00 C ATOM 649 O HIS A 209 -6.094 -13.922 -42.913 1.00 0.00 O ATOM 650 CB HIS A 209 -6.899 -12.575 -39.902 1.00 0.00 C ATOM 651 CG HIS A 209 -6.284 -11.365 -40.571 1.00 0.00 C ATOM 652 ND1 HIS A 209 -6.980 -10.369 -41.267 1.00 0.00 N ATOM 653 CD2 HIS A 209 -4.954 -11.049 -40.561 1.00 0.00 C ATOM 654 CE1 HIS A 209 -6.052 -9.486 -41.670 1.00 0.00 C ATOM 655 NE2 HIS A 209 -4.828 -9.865 -41.257 1.00 0.00 N ATOM 0 H HIS A 209 -7.819 -14.695 -39.081 1.00 0.00 H new ATOM 0 HA HIS A 209 -8.060 -13.290 -41.555 1.00 0.00 H new ATOM 0 HB2 HIS A 209 -7.771 -12.254 -39.333 1.00 0.00 H new ATOM 0 HB3 HIS A 209 -6.183 -12.980 -39.187 1.00 0.00 H new ATOM 0 HD2 HIS A 209 -4.159 -11.615 -40.099 1.00 0.00 H new ATOM 0 HE1 HIS A 209 -6.259 -8.596 -42.245 1.00 0.00 H new ATOM 0 HE2 HIS A 209 -3.957 -9.363 -41.429 1.00 0.00 H new ATOM 663 N ARG A 210 -5.257 -15.010 -41.132 1.00 0.00 N ATOM 664 CA ARG A 210 -4.136 -15.625 -41.870 1.00 0.00 C ATOM 665 C ARG A 210 -4.642 -16.586 -42.952 1.00 0.00 C ATOM 666 O ARG A 210 -4.138 -16.561 -44.077 1.00 0.00 O ATOM 667 CB ARG A 210 -3.155 -16.331 -40.914 1.00 0.00 C ATOM 668 CG ARG A 210 -2.195 -15.368 -40.189 1.00 0.00 C ATOM 669 CD ARG A 210 -2.790 -14.603 -38.995 1.00 0.00 C ATOM 670 NE ARG A 210 -3.185 -15.496 -37.890 1.00 0.00 N ATOM 671 CZ ARG A 210 -2.387 -16.112 -37.031 1.00 0.00 C ATOM 672 NH1 ARG A 210 -1.086 -15.990 -37.056 1.00 0.00 N ATOM 673 NH2 ARG A 210 -2.886 -16.889 -36.108 1.00 0.00 N ATOM 0 H ARG A 210 -5.285 -15.258 -40.143 1.00 0.00 H new ATOM 0 HA ARG A 210 -3.592 -14.822 -42.368 1.00 0.00 H new ATOM 0 HB2 ARG A 210 -3.724 -16.890 -40.171 1.00 0.00 H new ATOM 0 HB3 ARG A 210 -2.570 -17.056 -41.479 1.00 0.00 H new ATOM 0 HG2 ARG A 210 -1.335 -15.938 -39.839 1.00 0.00 H new ATOM 0 HG3 ARG A 210 -1.823 -14.642 -40.913 1.00 0.00 H new ATOM 0 HD2 ARG A 210 -2.060 -13.881 -38.630 1.00 0.00 H new ATOM 0 HD3 ARG A 210 -3.660 -14.036 -39.328 1.00 0.00 H new ATOM 0 HE ARG A 210 -4.185 -15.657 -37.774 1.00 0.00 H new ATOM 0 HH11 ARG A 210 -0.643 -15.399 -37.759 1.00 0.00 H new ATOM 0 HH12 ARG A 210 -0.514 -16.485 -36.372 1.00 0.00 H new ATOM 0 HH21 ARG A 210 -3.895 -17.024 -36.046 1.00 0.00 H new ATOM 0 HH22 ARG A 210 -2.267 -17.361 -35.449 1.00 0.00 H new ATOM 687 N LYS A 211 -5.661 -17.398 -42.641 1.00 0.00 N ATOM 688 CA LYS A 211 -6.298 -18.339 -43.581 1.00 0.00 C ATOM 689 C LYS A 211 -6.905 -17.608 -44.785 1.00 0.00 C ATOM 690 O LYS A 211 -6.598 -17.953 -45.925 1.00 0.00 O ATOM 691 CB LYS A 211 -7.346 -19.173 -42.821 1.00 0.00 C ATOM 692 CG LYS A 211 -7.941 -20.307 -43.673 1.00 0.00 C ATOM 693 CD LYS A 211 -9.124 -21.037 -43.014 1.00 0.00 C ATOM 694 CE LYS A 211 -8.786 -21.774 -41.709 1.00 0.00 C ATOM 695 NZ LYS A 211 -8.819 -20.880 -40.530 1.00 0.00 N ATOM 0 H LYS A 211 -6.077 -17.422 -41.710 1.00 0.00 H new ATOM 0 HA LYS A 211 -5.542 -19.011 -43.987 1.00 0.00 H new ATOM 0 HB2 LYS A 211 -6.887 -19.598 -41.929 1.00 0.00 H new ATOM 0 HB3 LYS A 211 -8.150 -18.518 -42.485 1.00 0.00 H new ATOM 0 HG2 LYS A 211 -8.269 -19.895 -44.628 1.00 0.00 H new ATOM 0 HG3 LYS A 211 -7.157 -21.032 -43.891 1.00 0.00 H new ATOM 0 HD2 LYS A 211 -9.911 -20.311 -42.810 1.00 0.00 H new ATOM 0 HD3 LYS A 211 -9.530 -21.756 -43.725 1.00 0.00 H new ATOM 0 HE2 LYS A 211 -9.494 -22.590 -41.562 1.00 0.00 H new ATOM 0 HE3 LYS A 211 -7.796 -22.222 -41.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 211 -9.189 -21.401 -39.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 211 -7.857 -20.544 -40.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 211 -9.434 -20.066 -40.729 1.00 0.00 H new ATOM 709 N GLN A 212 -7.731 -16.587 -44.548 1.00 0.00 N ATOM 710 CA GLN A 212 -8.365 -15.788 -45.604 1.00 0.00 C ATOM 711 C GLN A 212 -7.342 -14.992 -46.425 1.00 0.00 C ATOM 712 O GLN A 212 -7.454 -14.958 -47.649 1.00 0.00 O ATOM 713 CB GLN A 212 -9.410 -14.843 -44.990 1.00 0.00 C ATOM 714 CG GLN A 212 -10.663 -15.547 -44.442 1.00 0.00 C ATOM 715 CD GLN A 212 -11.620 -15.993 -45.545 1.00 0.00 C ATOM 716 OE1 GLN A 212 -11.411 -16.991 -46.223 1.00 0.00 O ATOM 717 NE2 GLN A 212 -12.711 -15.289 -45.765 1.00 0.00 N ATOM 0 H GLN A 212 -7.983 -16.286 -43.606 1.00 0.00 H new ATOM 0 HA GLN A 212 -8.856 -16.479 -46.289 1.00 0.00 H new ATOM 0 HB2 GLN A 212 -8.942 -14.280 -44.182 1.00 0.00 H new ATOM 0 HB3 GLN A 212 -9.716 -14.120 -45.746 1.00 0.00 H new ATOM 0 HG2 GLN A 212 -10.360 -16.415 -43.857 1.00 0.00 H new ATOM 0 HG3 GLN A 212 -11.186 -14.873 -43.764 1.00 0.00 H new ATOM 0 HE21 GLN A 212 -12.900 -14.455 -45.209 1.00 0.00 H new ATOM 0 HE22 GLN A 212 -13.367 -15.578 -46.491 1.00 0.00 H new ATOM 726 N GLU A 213 -6.317 -14.404 -45.797 1.00 0.00 N ATOM 727 CA GLU A 213 -5.234 -13.706 -46.504 1.00 0.00 C ATOM 728 C GLU A 213 -4.522 -14.674 -47.465 1.00 0.00 C ATOM 729 O GLU A 213 -4.335 -14.361 -48.640 1.00 0.00 O ATOM 730 CB GLU A 213 -4.255 -13.107 -45.476 1.00 0.00 C ATOM 731 CG GLU A 213 -3.037 -12.386 -46.074 1.00 0.00 C ATOM 732 CD GLU A 213 -3.422 -11.099 -46.813 1.00 0.00 C ATOM 733 OE1 GLU A 213 -3.686 -11.179 -48.036 1.00 0.00 O ATOM 734 OE2 GLU A 213 -3.443 -10.030 -46.157 1.00 0.00 O ATOM 0 H GLU A 213 -6.214 -14.398 -44.782 1.00 0.00 H new ATOM 0 HA GLU A 213 -5.645 -12.892 -47.100 1.00 0.00 H new ATOM 0 HB2 GLU A 213 -4.800 -12.404 -44.846 1.00 0.00 H new ATOM 0 HB3 GLU A 213 -3.900 -13.908 -44.827 1.00 0.00 H new ATOM 0 HG2 GLU A 213 -2.333 -12.147 -45.277 1.00 0.00 H new ATOM 0 HG3 GLU A 213 -2.523 -13.057 -46.763 1.00 0.00 H new ATOM 741 N THR A 214 -4.178 -15.877 -46.988 1.00 0.00 N ATOM 742 CA THR A 214 -3.547 -16.927 -47.806 1.00 0.00 C ATOM 743 C THR A 214 -4.467 -17.368 -48.950 1.00 0.00 C ATOM 744 O THR A 214 -4.015 -17.464 -50.093 1.00 0.00 O ATOM 745 CB THR A 214 -3.147 -18.140 -46.945 1.00 0.00 C ATOM 746 OG1 THR A 214 -2.285 -17.736 -45.900 1.00 0.00 O ATOM 747 CG2 THR A 214 -2.385 -19.202 -47.740 1.00 0.00 C ATOM 0 H THR A 214 -4.330 -16.153 -46.018 1.00 0.00 H new ATOM 0 HA THR A 214 -2.642 -16.501 -48.239 1.00 0.00 H new ATOM 0 HB THR A 214 -4.082 -18.558 -46.571 1.00 0.00 H new ATOM 0 HG1 THR A 214 -2.808 -17.305 -45.192 1.00 0.00 H new ATOM 0 HG21 THR A 214 -2.128 -20.033 -47.084 1.00 0.00 H new ATOM 0 HG22 THR A 214 -3.010 -19.564 -48.556 1.00 0.00 H new ATOM 0 HG23 THR A 214 -1.473 -18.767 -48.147 1.00 0.00 H new ATOM 755 N LYS A 215 -5.761 -17.595 -48.676 1.00 0.00 N ATOM 756 CA LYS A 215 -6.765 -17.998 -49.676 1.00 0.00 C ATOM 757 C LYS A 215 -6.919 -16.950 -50.783 1.00 0.00 C ATOM 758 O LYS A 215 -6.858 -17.289 -51.965 1.00 0.00 O ATOM 759 CB LYS A 215 -8.093 -18.266 -48.945 1.00 0.00 C ATOM 760 CG LYS A 215 -9.179 -18.871 -49.850 1.00 0.00 C ATOM 761 CD LYS A 215 -10.533 -18.982 -49.133 1.00 0.00 C ATOM 762 CE LYS A 215 -10.487 -19.911 -47.913 1.00 0.00 C ATOM 763 NZ LYS A 215 -11.783 -19.917 -47.204 1.00 0.00 N ATOM 0 H LYS A 215 -6.147 -17.502 -47.736 1.00 0.00 H new ATOM 0 HA LYS A 215 -6.438 -18.909 -50.177 1.00 0.00 H new ATOM 0 HB2 LYS A 215 -7.909 -18.942 -48.110 1.00 0.00 H new ATOM 0 HB3 LYS A 215 -8.462 -17.331 -48.523 1.00 0.00 H new ATOM 0 HG2 LYS A 215 -9.291 -18.255 -50.742 1.00 0.00 H new ATOM 0 HG3 LYS A 215 -8.863 -19.860 -50.183 1.00 0.00 H new ATOM 0 HD2 LYS A 215 -10.853 -17.989 -48.816 1.00 0.00 H new ATOM 0 HD3 LYS A 215 -11.281 -19.349 -49.835 1.00 0.00 H new ATOM 0 HE2 LYS A 215 -10.238 -20.923 -48.231 1.00 0.00 H new ATOM 0 HE3 LYS A 215 -9.698 -19.587 -47.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 215 -11.784 -20.673 -46.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 215 -11.928 -18.999 -46.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 215 -12.551 -20.083 -47.885 1.00 0.00 H new ATOM 777 N LEU A 216 -7.080 -15.678 -50.411 1.00 0.00 N ATOM 778 CA LEU A 216 -7.216 -14.560 -51.346 1.00 0.00 C ATOM 779 C LEU A 216 -5.940 -14.355 -52.177 1.00 0.00 C ATOM 780 O LEU A 216 -6.028 -14.206 -53.396 1.00 0.00 O ATOM 781 CB LEU A 216 -7.602 -13.297 -50.555 1.00 0.00 C ATOM 782 CG LEU A 216 -7.841 -12.048 -51.424 1.00 0.00 C ATOM 783 CD1 LEU A 216 -8.974 -12.235 -52.437 1.00 0.00 C ATOM 784 CD2 LEU A 216 -8.201 -10.871 -50.521 1.00 0.00 C ATOM 0 H LEU A 216 -7.120 -15.391 -49.433 1.00 0.00 H new ATOM 0 HA LEU A 216 -8.005 -14.783 -52.064 1.00 0.00 H new ATOM 0 HB2 LEU A 216 -8.506 -13.504 -49.982 1.00 0.00 H new ATOM 0 HB3 LEU A 216 -6.812 -13.078 -49.836 1.00 0.00 H new ATOM 0 HG LEU A 216 -6.920 -11.866 -51.978 1.00 0.00 H new ATOM 0 HD11 LEU A 216 -9.095 -11.322 -53.020 1.00 0.00 H new ATOM 0 HD12 LEU A 216 -8.732 -13.062 -53.104 1.00 0.00 H new ATOM 0 HD13 LEU A 216 -9.902 -12.454 -51.909 1.00 0.00 H new ATOM 0 HD21 LEU A 216 -8.371 -9.984 -51.131 1.00 0.00 H new ATOM 0 HD22 LEU A 216 -9.106 -11.106 -49.961 1.00 0.00 H new ATOM 0 HD23 LEU A 216 -7.383 -10.682 -49.826 1.00 0.00 H new ATOM 796 N LYS A 217 -4.758 -14.390 -51.545 1.00 0.00 N ATOM 797 CA LYS A 217 -3.457 -14.266 -52.225 1.00 0.00 C ATOM 798 C LYS A 217 -3.260 -15.379 -53.262 1.00 0.00 C ATOM 799 O LYS A 217 -2.879 -15.099 -54.398 1.00 0.00 O ATOM 800 CB LYS A 217 -2.348 -14.240 -51.160 1.00 0.00 C ATOM 801 CG LYS A 217 -0.942 -14.061 -51.756 1.00 0.00 C ATOM 802 CD LYS A 217 0.123 -13.787 -50.680 1.00 0.00 C ATOM 803 CE LYS A 217 0.202 -14.851 -49.574 1.00 0.00 C ATOM 804 NZ LYS A 217 0.576 -16.179 -50.109 1.00 0.00 N ATOM 0 H LYS A 217 -4.676 -14.507 -50.535 1.00 0.00 H new ATOM 0 HA LYS A 217 -3.418 -13.333 -52.787 1.00 0.00 H new ATOM 0 HB2 LYS A 217 -2.545 -13.429 -50.459 1.00 0.00 H new ATOM 0 HB3 LYS A 217 -2.379 -15.168 -50.590 1.00 0.00 H new ATOM 0 HG2 LYS A 217 -0.670 -14.958 -52.312 1.00 0.00 H new ATOM 0 HG3 LYS A 217 -0.955 -13.236 -52.468 1.00 0.00 H new ATOM 0 HD2 LYS A 217 1.097 -13.710 -51.163 1.00 0.00 H new ATOM 0 HD3 LYS A 217 -0.083 -12.820 -50.222 1.00 0.00 H new ATOM 0 HE2 LYS A 217 0.932 -14.543 -48.826 1.00 0.00 H new ATOM 0 HE3 LYS A 217 -0.761 -14.922 -49.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 217 0.618 -16.868 -49.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 217 -0.134 -16.486 -50.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 217 1.507 -16.119 -50.568 1.00 0.00 H new ATOM 818 N LEU A 218 -3.573 -16.626 -52.897 1.00 0.00 N ATOM 819 CA LEU A 218 -3.514 -17.782 -53.798 1.00 0.00 C ATOM 820 C LEU A 218 -4.488 -17.604 -54.975 1.00 0.00 C ATOM 821 O LEU A 218 -4.088 -17.754 -56.129 1.00 0.00 O ATOM 822 CB LEU A 218 -3.768 -19.056 -52.967 1.00 0.00 C ATOM 823 CG LEU A 218 -3.653 -20.380 -53.749 1.00 0.00 C ATOM 824 CD1 LEU A 218 -3.219 -21.507 -52.809 1.00 0.00 C ATOM 825 CD2 LEU A 218 -4.981 -20.815 -54.378 1.00 0.00 C ATOM 0 H LEU A 218 -3.879 -16.865 -51.954 1.00 0.00 H new ATOM 0 HA LEU A 218 -2.528 -17.873 -54.254 1.00 0.00 H new ATOM 0 HB2 LEU A 218 -3.060 -19.078 -52.139 1.00 0.00 H new ATOM 0 HB3 LEU A 218 -4.765 -18.994 -52.532 1.00 0.00 H new ATOM 0 HG LEU A 218 -2.923 -20.201 -54.538 1.00 0.00 H new ATOM 0 HD11 LEU A 218 -3.140 -22.438 -53.370 1.00 0.00 H new ATOM 0 HD12 LEU A 218 -2.251 -21.264 -52.372 1.00 0.00 H new ATOM 0 HD13 LEU A 218 -3.957 -21.623 -52.015 1.00 0.00 H new ATOM 0 HD21 LEU A 218 -4.839 -21.753 -54.915 1.00 0.00 H new ATOM 0 HD22 LEU A 218 -5.726 -20.955 -53.595 1.00 0.00 H new ATOM 0 HD23 LEU A 218 -5.324 -20.047 -55.072 1.00 0.00 H new ATOM 837 N MET A 219 -5.746 -17.238 -54.706 1.00 0.00 N ATOM 838 CA MET A 219 -6.756 -16.994 -55.745 1.00 0.00 C ATOM 839 C MET A 219 -6.314 -15.889 -56.722 1.00 0.00 C ATOM 840 O MET A 219 -6.422 -16.056 -57.937 1.00 0.00 O ATOM 841 CB MET A 219 -8.103 -16.667 -55.078 1.00 0.00 C ATOM 842 CG MET A 219 -9.255 -16.541 -56.083 1.00 0.00 C ATOM 843 SD MET A 219 -9.613 -18.050 -57.027 1.00 0.00 S ATOM 844 CE MET A 219 -10.966 -17.439 -58.069 1.00 0.00 C ATOM 0 H MET A 219 -6.095 -17.102 -53.757 1.00 0.00 H new ATOM 0 HA MET A 219 -6.873 -17.897 -56.343 1.00 0.00 H new ATOM 0 HB2 MET A 219 -8.343 -17.447 -54.355 1.00 0.00 H new ATOM 0 HB3 MET A 219 -8.010 -15.734 -54.522 1.00 0.00 H new ATOM 0 HG2 MET A 219 -10.156 -16.243 -55.546 1.00 0.00 H new ATOM 0 HG3 MET A 219 -9.021 -15.739 -56.783 1.00 0.00 H new ATOM 0 HE1 MET A 219 -11.314 -18.241 -58.721 1.00 0.00 H new ATOM 0 HE2 MET A 219 -11.788 -17.102 -57.437 1.00 0.00 H new ATOM 0 HE3 MET A 219 -10.610 -16.607 -58.676 1.00 0.00 H new ATOM 854 N ALA A 220 -5.765 -14.783 -56.208 1.00 0.00 N ATOM 855 CA ALA A 220 -5.243 -13.680 -57.016 1.00 0.00 C ATOM 856 C ALA A 220 -4.066 -14.120 -57.913 1.00 0.00 C ATOM 857 O ALA A 220 -3.979 -13.689 -59.066 1.00 0.00 O ATOM 858 CB ALA A 220 -4.844 -12.532 -56.081 1.00 0.00 C ATOM 0 H ALA A 220 -5.670 -14.629 -55.204 1.00 0.00 H new ATOM 0 HA ALA A 220 -6.023 -13.340 -57.697 1.00 0.00 H new ATOM 0 HB1 ALA A 220 -4.453 -11.702 -56.670 1.00 0.00 H new ATOM 0 HB2 ALA A 220 -5.717 -12.199 -55.520 1.00 0.00 H new ATOM 0 HB3 ALA A 220 -4.078 -12.877 -55.387 1.00 0.00 H new ATOM 864 N ARG A 221 -3.182 -15.000 -57.412 1.00 0.00 N ATOM 865 CA ARG A 221 -2.041 -15.556 -58.164 1.00 0.00 C ATOM 866 C ARG A 221 -2.499 -16.453 -59.323 1.00 0.00 C ATOM 867 O ARG A 221 -1.964 -16.348 -60.427 1.00 0.00 O ATOM 868 CB ARG A 221 -1.124 -16.332 -57.198 1.00 0.00 C ATOM 869 CG ARG A 221 0.238 -16.668 -57.830 1.00 0.00 C ATOM 870 CD ARG A 221 1.072 -17.596 -56.940 1.00 0.00 C ATOM 871 NE ARG A 221 0.547 -18.976 -56.947 1.00 0.00 N ATOM 872 CZ ARG A 221 1.138 -20.035 -56.418 1.00 0.00 C ATOM 873 NH1 ARG A 221 2.263 -19.960 -55.755 1.00 0.00 N ATOM 874 NH2 ARG A 221 0.606 -21.219 -56.551 1.00 0.00 N ATOM 0 H ARG A 221 -3.240 -15.352 -56.456 1.00 0.00 H new ATOM 0 HA ARG A 221 -1.486 -14.729 -58.608 1.00 0.00 H new ATOM 0 HB2 ARG A 221 -0.968 -15.741 -56.295 1.00 0.00 H new ATOM 0 HB3 ARG A 221 -1.618 -17.254 -56.893 1.00 0.00 H new ATOM 0 HG2 ARG A 221 0.081 -17.141 -58.799 1.00 0.00 H new ATOM 0 HG3 ARG A 221 0.791 -15.746 -58.011 1.00 0.00 H new ATOM 0 HD2 ARG A 221 2.106 -17.598 -57.285 1.00 0.00 H new ATOM 0 HD3 ARG A 221 1.077 -17.214 -55.919 1.00 0.00 H new ATOM 0 HE ARG A 221 -0.354 -19.127 -57.401 1.00 0.00 H new ATOM 0 HH11 ARG A 221 2.721 -19.058 -55.628 1.00 0.00 H new ATOM 0 HH12 ARG A 221 2.682 -20.804 -55.365 1.00 0.00 H new ATOM 0 HH21 ARG A 221 -0.268 -21.330 -57.064 1.00 0.00 H new ATOM 0 HH22 ARG A 221 1.065 -22.033 -56.142 1.00 0.00 H new ATOM 888 N TYR A 222 -3.484 -17.323 -59.080 1.00 0.00 N ATOM 889 CA TYR A 222 -4.037 -18.239 -60.089 1.00 0.00 C ATOM 890 C TYR A 222 -4.975 -17.564 -61.110 1.00 0.00 C ATOM 891 O TYR A 222 -5.128 -18.086 -62.217 1.00 0.00 O ATOM 892 CB TYR A 222 -4.755 -19.409 -59.395 1.00 0.00 C ATOM 893 CG TYR A 222 -3.836 -20.558 -59.019 1.00 0.00 C ATOM 894 CD1 TYR A 222 -3.416 -21.467 -60.011 1.00 0.00 C ATOM 895 CD2 TYR A 222 -3.413 -20.735 -57.688 1.00 0.00 C ATOM 896 CE1 TYR A 222 -2.580 -22.551 -59.674 1.00 0.00 C ATOM 897 CE2 TYR A 222 -2.584 -21.819 -57.343 1.00 0.00 C ATOM 898 CZ TYR A 222 -2.164 -22.731 -58.336 1.00 0.00 C ATOM 899 OH TYR A 222 -1.357 -23.772 -57.995 1.00 0.00 O ATOM 0 H TYR A 222 -3.927 -17.414 -58.166 1.00 0.00 H new ATOM 0 HA TYR A 222 -3.187 -18.604 -60.666 1.00 0.00 H new ATOM 0 HB2 TYR A 222 -5.245 -19.039 -58.495 1.00 0.00 H new ATOM 0 HB3 TYR A 222 -5.539 -19.784 -60.054 1.00 0.00 H new ATOM 0 HD1 TYR A 222 -3.736 -21.332 -61.034 1.00 0.00 H new ATOM 0 HD2 TYR A 222 -3.726 -20.035 -56.927 1.00 0.00 H new ATOM 0 HE1 TYR A 222 -2.258 -23.243 -60.438 1.00 0.00 H new ATOM 0 HE2 TYR A 222 -2.269 -21.953 -56.319 1.00 0.00 H new ATOM 0 HH TYR A 222 -1.170 -23.740 -57.033 1.00 0.00 H new ATOM 909 N GLY A 223 -5.602 -16.431 -60.771 1.00 0.00 N ATOM 910 CA GLY A 223 -6.522 -15.696 -61.651 1.00 0.00 C ATOM 911 C GLY A 223 -5.840 -14.939 -62.803 1.00 0.00 C ATOM 912 O GLY A 223 -4.639 -14.651 -62.762 1.00 0.00 O ATOM 0 H GLY A 223 -5.482 -15.990 -59.859 1.00 0.00 H new ATOM 0 HA2 GLY A 223 -7.241 -16.399 -62.071 1.00 0.00 H new ATOM 0 HA3 GLY A 223 -7.087 -14.984 -61.050 1.00 0.00 H new ATOM 916 N ARG A 224 -6.616 -14.603 -63.844 1.00 0.00 N ATOM 917 CA ARG A 224 -6.142 -13.876 -65.041 1.00 0.00 C ATOM 918 C ARG A 224 -5.918 -12.385 -64.759 1.00 0.00 C ATOM 919 O ARG A 224 -6.725 -11.745 -64.082 1.00 0.00 O ATOM 920 CB ARG A 224 -7.142 -14.042 -66.208 1.00 0.00 C ATOM 921 CG ARG A 224 -7.466 -15.486 -66.644 1.00 0.00 C ATOM 922 CD ARG A 224 -6.352 -16.240 -67.398 1.00 0.00 C ATOM 923 NE ARG A 224 -5.124 -16.470 -66.610 1.00 0.00 N ATOM 924 CZ ARG A 224 -5.002 -17.197 -65.511 1.00 0.00 C ATOM 925 NH1 ARG A 224 -5.980 -17.892 -64.996 1.00 0.00 N ATOM 926 NH2 ARG A 224 -3.869 -17.235 -64.868 1.00 0.00 N ATOM 0 H ARG A 224 -7.609 -14.831 -63.883 1.00 0.00 H new ATOM 0 HA ARG A 224 -5.182 -14.312 -65.320 1.00 0.00 H new ATOM 0 HB2 ARG A 224 -8.075 -13.554 -65.928 1.00 0.00 H new ATOM 0 HB3 ARG A 224 -6.749 -13.506 -67.072 1.00 0.00 H new ATOM 0 HG2 ARG A 224 -7.727 -16.061 -65.755 1.00 0.00 H new ATOM 0 HG3 ARG A 224 -8.352 -15.461 -67.279 1.00 0.00 H new ATOM 0 HD2 ARG A 224 -6.742 -17.203 -67.728 1.00 0.00 H new ATOM 0 HD3 ARG A 224 -6.093 -15.677 -68.295 1.00 0.00 H new ATOM 0 HE ARG A 224 -4.275 -16.018 -66.951 1.00 0.00 H new ATOM 0 HH11 ARG A 224 -6.896 -17.892 -65.444 1.00 0.00 H new ATOM 0 HH12 ARG A 224 -5.828 -18.435 -64.146 1.00 0.00 H new ATOM 0 HH21 ARG A 224 -3.070 -16.702 -65.211 1.00 0.00 H new ATOM 0 HH22 ARG A 224 -3.782 -17.797 -64.022 1.00 0.00 H new ATOM 940 N LEU A 225 -4.830 -11.839 -65.310 1.00 0.00 N ATOM 941 CA LEU A 225 -4.402 -10.431 -65.195 1.00 0.00 C ATOM 942 C LEU A 225 -3.886 -9.865 -66.544 1.00 0.00 C ATOM 943 O LEU A 225 -3.162 -8.868 -66.577 1.00 0.00 O ATOM 944 CB LEU A 225 -3.334 -10.320 -64.078 1.00 0.00 C ATOM 945 CG LEU A 225 -3.821 -10.614 -62.643 1.00 0.00 C ATOM 946 CD1 LEU A 225 -2.630 -10.602 -61.683 1.00 0.00 C ATOM 947 CD2 LEU A 225 -4.828 -9.573 -62.145 1.00 0.00 C ATOM 0 H LEU A 225 -4.187 -12.391 -65.878 1.00 0.00 H new ATOM 0 HA LEU A 225 -5.265 -9.821 -64.928 1.00 0.00 H new ATOM 0 HB2 LEU A 225 -2.520 -11.006 -64.312 1.00 0.00 H new ATOM 0 HB3 LEU A 225 -2.918 -9.313 -64.100 1.00 0.00 H new ATOM 0 HG LEU A 225 -4.306 -11.590 -62.669 1.00 0.00 H new ATOM 0 HD11 LEU A 225 -2.977 -10.810 -60.671 1.00 0.00 H new ATOM 0 HD12 LEU A 225 -1.912 -11.365 -61.984 1.00 0.00 H new ATOM 0 HD13 LEU A 225 -2.152 -9.623 -61.709 1.00 0.00 H new ATOM 0 HD21 LEU A 225 -5.140 -9.824 -61.131 1.00 0.00 H new ATOM 0 HD22 LEU A 225 -4.363 -8.587 -62.148 1.00 0.00 H new ATOM 0 HD23 LEU A 225 -5.698 -9.566 -62.801 1.00 0.00 H new ATOM 959 N ALA A 226 -4.243 -10.503 -67.667 1.00 0.00 N ATOM 960 CA ALA A 226 -3.823 -10.129 -69.025 1.00 0.00 C ATOM 961 C ALA A 226 -4.339 -8.755 -69.520 1.00 0.00 C ATOM 962 O ALA A 226 -3.804 -8.208 -70.487 1.00 0.00 O ATOM 963 CB ALA A 226 -4.264 -11.250 -69.975 1.00 0.00 C ATOM 0 H ALA A 226 -4.852 -11.321 -67.655 1.00 0.00 H new ATOM 0 HA ALA A 226 -2.739 -10.012 -69.007 1.00 0.00 H new ATOM 0 HB1 ALA A 226 -3.966 -11.002 -70.994 1.00 0.00 H new ATOM 0 HB2 ALA A 226 -3.792 -12.186 -69.677 1.00 0.00 H new ATOM 0 HB3 ALA A 226 -5.348 -11.360 -69.930 1.00 0.00 H new ATOM 969 N ASP A 227 -5.363 -8.187 -68.874 1.00 0.00 N ATOM 970 CA ASP A 227 -5.979 -6.891 -69.203 1.00 0.00 C ATOM 971 C ASP A 227 -6.417 -6.138 -67.935 1.00 0.00 C ATOM 972 O ASP A 227 -6.901 -6.737 -66.963 1.00 0.00 O ATOM 973 CB ASP A 227 -7.190 -7.099 -70.130 1.00 0.00 C ATOM 974 CG ASP A 227 -6.796 -7.597 -71.526 1.00 0.00 C ATOM 975 OD1 ASP A 227 -6.372 -6.750 -72.350 1.00 0.00 O ATOM 976 OD2 ASP A 227 -6.937 -8.818 -71.781 1.00 0.00 O ATOM 0 H ASP A 227 -5.806 -8.635 -68.072 1.00 0.00 H new ATOM 0 HA ASP A 227 -5.229 -6.287 -69.714 1.00 0.00 H new ATOM 0 HB2 ASP A 227 -7.872 -7.816 -69.673 1.00 0.00 H new ATOM 0 HB3 ASP A 227 -7.734 -6.159 -70.225 1.00 0.00 H new TER 981 ASP A 227 HETATM 982 ZN ZN A 301 -8.965 -10.038 -41.748 1.00 0.00 ZN