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 Set 1.1: A 211 LYS NZ :NH3+ -175:sc= 0.353 (180deg=-0.139) USER MOD Set 1.2: A 212 GLN : amide:sc= 0.525 K(o=0.88,f=-4.2!) USER MOD Single : A 168 SER OG : rot 29:sc= 0.0962 USER MOD Single : A 169 THR OG1 : rot 180:sc= 0 USER MOD Single : A 170 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00474) USER MOD Single : A 175 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 176 GLN : amide:sc= -0.466 X(o=-0.47,f=-0.47) USER MOD Single : A 177 ASN : amide:sc= 0.232 K(o=0.23,f=-3!) USER MOD Single : A 180 MET CE :methyl 174:sc= 0 (180deg=-0.0413) USER MOD Single : A 185 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.23) USER MOD Single : A 188 SER OG : rot 180:sc= 0 USER MOD Single : A 191 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 193 THR OG1 : rot 180:sc= 0 USER MOD Single : A 195 ASN : amide:sc= 0.299 X(o=0.3,f=0) USER MOD Single : A 199 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 201 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 202 GLN : amide:sc= -0.0393 X(o=-0.039,f=-0.45) USER MOD Single : A 204 TYR OH : rot -6:sc= 0.249 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=-0.0171) USER MOD Single : A 214 THR OG1 : rot 79:sc= 0.979 USER MOD Single : A 215 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0152) USER MOD Single : A 217 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0437) USER MOD Single : A 219 MET CE :methyl 173:sc= 0 (180deg=-0.0504) USER MOD Single : A 222 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 168 4.286 10.235 -5.240 1.00 0.00 N ATOM 2 CA SER A 168 4.545 9.075 -4.374 1.00 0.00 C ATOM 3 C SER A 168 4.166 9.303 -2.899 1.00 0.00 C ATOM 4 O SER A 168 4.309 8.403 -2.069 1.00 0.00 O ATOM 5 CB SER A 168 6.019 8.655 -4.483 1.00 0.00 C ATOM 6 OG SER A 168 6.367 8.383 -5.836 1.00 0.00 O ATOM 0 HA SER A 168 3.898 8.275 -4.733 1.00 0.00 H new ATOM 0 HB2 SER A 168 6.658 9.446 -4.090 1.00 0.00 H new ATOM 0 HB3 SER A 168 6.196 7.770 -3.872 1.00 0.00 H new ATOM 0 HG SER A 168 5.808 8.923 -6.433 1.00 0.00 H new ATOM 12 N THR A 169 3.675 10.502 -2.559 1.00 0.00 N ATOM 13 CA THR A 169 3.238 10.893 -1.200 1.00 0.00 C ATOM 14 C THR A 169 2.023 10.090 -0.692 1.00 0.00 C ATOM 15 O THR A 169 1.841 9.919 0.518 1.00 0.00 O ATOM 16 CB THR A 169 2.979 12.414 -1.153 1.00 0.00 C ATOM 17 OG1 THR A 169 2.728 12.863 0.163 1.00 0.00 O ATOM 18 CG2 THR A 169 1.808 12.880 -2.025 1.00 0.00 C ATOM 0 H THR A 169 3.565 11.254 -3.239 1.00 0.00 H new ATOM 0 HA THR A 169 4.049 10.647 -0.514 1.00 0.00 H new ATOM 0 HB THR A 169 3.899 12.846 -1.547 1.00 0.00 H new ATOM 0 HG1 THR A 169 2.570 13.830 0.154 1.00 0.00 H new ATOM 0 HG21 THR A 169 1.694 13.960 -1.935 1.00 0.00 H new ATOM 0 HG22 THR A 169 2.004 12.622 -3.066 1.00 0.00 H new ATOM 0 HG23 THR A 169 0.892 12.390 -1.696 1.00 0.00 H new ATOM 26 N LYS A 170 1.217 9.547 -1.616 1.00 0.00 N ATOM 27 CA LYS A 170 0.024 8.707 -1.387 1.00 0.00 C ATOM 28 C LYS A 170 -0.011 7.532 -2.382 1.00 0.00 C ATOM 29 O LYS A 170 0.822 7.452 -3.289 1.00 0.00 O ATOM 30 CB LYS A 170 -1.252 9.573 -1.491 1.00 0.00 C ATOM 31 CG LYS A 170 -1.417 10.546 -0.310 1.00 0.00 C ATOM 32 CD LYS A 170 -2.677 11.422 -0.421 1.00 0.00 C ATOM 33 CE LYS A 170 -4.000 10.641 -0.415 1.00 0.00 C ATOM 34 NZ LYS A 170 -4.214 9.926 0.862 1.00 0.00 N ATOM 0 H LYS A 170 1.390 9.690 -2.611 1.00 0.00 H new ATOM 0 HA LYS A 170 0.071 8.284 -0.384 1.00 0.00 H new ATOM 0 HB2 LYS A 170 -1.224 10.141 -2.421 1.00 0.00 H new ATOM 0 HB3 LYS A 170 -2.124 8.921 -1.542 1.00 0.00 H new ATOM 0 HG2 LYS A 170 -1.458 9.977 0.619 1.00 0.00 H new ATOM 0 HG3 LYS A 170 -0.539 11.189 -0.251 1.00 0.00 H new ATOM 0 HD2 LYS A 170 -2.685 12.131 0.407 1.00 0.00 H new ATOM 0 HD3 LYS A 170 -2.618 12.005 -1.340 1.00 0.00 H new ATOM 0 HE2 LYS A 170 -4.828 11.328 -0.589 1.00 0.00 H new ATOM 0 HE3 LYS A 170 -4.002 9.925 -1.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -5.133 9.439 0.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 -3.456 9.228 1.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -4.204 10.608 1.647 1.00 0.00 H new ATOM 48 N VAL A 171 -0.984 6.632 -2.220 1.00 0.00 N ATOM 49 CA VAL A 171 -1.198 5.433 -3.059 1.00 0.00 C ATOM 50 C VAL A 171 -2.618 5.388 -3.640 1.00 0.00 C ATOM 51 O VAL A 171 -3.518 6.093 -3.179 1.00 0.00 O ATOM 52 CB VAL A 171 -0.875 4.135 -2.284 1.00 0.00 C ATOM 53 CG1 VAL A 171 0.607 4.071 -1.895 1.00 0.00 C ATOM 54 CG2 VAL A 171 -1.723 3.955 -1.017 1.00 0.00 C ATOM 0 H VAL A 171 -1.675 6.715 -1.474 1.00 0.00 H new ATOM 0 HA VAL A 171 -0.504 5.504 -3.897 1.00 0.00 H new ATOM 0 HB VAL A 171 -1.119 3.325 -2.971 1.00 0.00 H new ATOM 0 HG11 VAL A 171 0.801 3.146 -1.352 1.00 0.00 H new ATOM 0 HG12 VAL A 171 1.221 4.098 -2.795 1.00 0.00 H new ATOM 0 HG13 VAL A 171 0.854 4.923 -1.261 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -1.445 3.025 -0.522 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -1.549 4.792 -0.341 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -2.778 3.921 -1.287 1.00 0.00 H new ATOM 64 N GLU A 172 -2.823 4.553 -4.661 1.00 0.00 N ATOM 65 CA GLU A 172 -4.103 4.374 -5.366 1.00 0.00 C ATOM 66 C GLU A 172 -4.271 2.943 -5.916 1.00 0.00 C ATOM 67 O GLU A 172 -3.329 2.145 -5.912 1.00 0.00 O ATOM 68 CB GLU A 172 -4.221 5.422 -6.493 1.00 0.00 C ATOM 69 CG GLU A 172 -3.171 5.270 -7.607 1.00 0.00 C ATOM 70 CD GLU A 172 -3.341 6.356 -8.677 1.00 0.00 C ATOM 71 OE1 GLU A 172 -2.741 7.447 -8.512 1.00 0.00 O ATOM 72 OE2 GLU A 172 -4.070 6.100 -9.664 1.00 0.00 O ATOM 0 H GLU A 172 -2.081 3.962 -5.035 1.00 0.00 H new ATOM 0 HA GLU A 172 -4.910 4.524 -4.649 1.00 0.00 H new ATOM 0 HB2 GLU A 172 -5.215 5.354 -6.934 1.00 0.00 H new ATOM 0 HB3 GLU A 172 -4.132 6.418 -6.059 1.00 0.00 H new ATOM 0 HG2 GLU A 172 -2.170 5.330 -7.179 1.00 0.00 H new ATOM 0 HG3 GLU A 172 -3.263 4.285 -8.066 1.00 0.00 H new ATOM 79 N ALA A 173 -5.467 2.619 -6.418 1.00 0.00 N ATOM 80 CA ALA A 173 -5.845 1.325 -7.003 1.00 0.00 C ATOM 81 C ALA A 173 -5.223 1.049 -8.401 1.00 0.00 C ATOM 82 O ALA A 173 -5.889 0.522 -9.294 1.00 0.00 O ATOM 83 CB ALA A 173 -7.381 1.256 -7.010 1.00 0.00 C ATOM 0 H ALA A 173 -6.239 3.286 -6.429 1.00 0.00 H new ATOM 0 HA ALA A 173 -5.430 0.526 -6.389 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -7.701 0.306 -7.439 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -7.753 1.337 -5.989 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -7.779 2.076 -7.607 1.00 0.00 H new ATOM 89 N LEU A 174 -3.949 1.403 -8.610 1.00 0.00 N ATOM 90 CA LEU A 174 -3.191 1.245 -9.866 1.00 0.00 C ATOM 91 C LEU A 174 -3.289 -0.165 -10.483 1.00 0.00 C ATOM 92 O LEU A 174 -3.353 -0.306 -11.706 1.00 0.00 O ATOM 93 CB LEU A 174 -1.737 1.678 -9.576 1.00 0.00 C ATOM 94 CG LEU A 174 -0.766 1.620 -10.777 1.00 0.00 C ATOM 95 CD1 LEU A 174 0.314 2.694 -10.627 1.00 0.00 C ATOM 96 CD2 LEU A 174 -0.036 0.274 -10.882 1.00 0.00 C ATOM 0 H LEU A 174 -3.387 1.829 -7.873 1.00 0.00 H new ATOM 0 HA LEU A 174 -3.630 1.880 -10.636 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -1.751 2.699 -9.193 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -1.341 1.045 -8.782 1.00 0.00 H new ATOM 0 HG LEU A 174 -1.376 1.772 -11.667 1.00 0.00 H new ATOM 0 HD11 LEU A 174 0.995 2.647 -11.477 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -0.154 3.678 -10.591 1.00 0.00 H new ATOM 0 HD13 LEU A 174 0.872 2.523 -9.706 1.00 0.00 H new ATOM 0 HD21 LEU A 174 0.633 0.289 -11.743 1.00 0.00 H new ATOM 0 HD22 LEU A 174 0.544 0.103 -9.975 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -0.765 -0.527 -11.003 1.00 0.00 H new ATOM 108 N HIS A 175 -3.321 -1.206 -9.643 1.00 0.00 N ATOM 109 CA HIS A 175 -3.416 -2.620 -10.048 1.00 0.00 C ATOM 110 C HIS A 175 -4.828 -3.084 -10.468 1.00 0.00 C ATOM 111 O HIS A 175 -4.993 -4.246 -10.845 1.00 0.00 O ATOM 112 CB HIS A 175 -2.838 -3.493 -8.920 1.00 0.00 C ATOM 113 CG HIS A 175 -1.390 -3.176 -8.627 1.00 0.00 C ATOM 114 ND1 HIS A 175 -0.918 -2.412 -7.576 1.00 0.00 N ATOM 115 CD2 HIS A 175 -0.315 -3.556 -9.381 1.00 0.00 C ATOM 116 CE1 HIS A 175 0.424 -2.330 -7.687 1.00 0.00 C ATOM 117 NE2 HIS A 175 0.808 -3.022 -8.781 1.00 0.00 N ATOM 0 H HIS A 175 -3.280 -1.088 -8.631 1.00 0.00 H new ATOM 0 HA HIS A 175 -2.829 -2.734 -10.959 1.00 0.00 H new ATOM 0 HB2 HIS A 175 -3.428 -3.349 -8.015 1.00 0.00 H new ATOM 0 HB3 HIS A 175 -2.928 -4.544 -9.196 1.00 0.00 H new ATOM 0 HD2 HIS A 175 -0.339 -4.160 -10.276 1.00 0.00 H new ATOM 0 HE1 HIS A 175 1.081 -1.800 -7.014 1.00 0.00 H new ATOM 0 HE2 HIS A 175 1.767 -3.132 -9.109 1.00 0.00 H new ATOM 126 N GLN A 176 -5.839 -2.207 -10.432 1.00 0.00 N ATOM 127 CA GLN A 176 -7.226 -2.494 -10.822 1.00 0.00 C ATOM 128 C GLN A 176 -7.562 -1.760 -12.131 1.00 0.00 C ATOM 129 O GLN A 176 -7.459 -0.534 -12.223 1.00 0.00 O ATOM 130 CB GLN A 176 -8.166 -2.117 -9.659 1.00 0.00 C ATOM 131 CG GLN A 176 -9.620 -2.594 -9.840 1.00 0.00 C ATOM 132 CD GLN A 176 -10.455 -1.725 -10.785 1.00 0.00 C ATOM 133 OE1 GLN A 176 -10.612 -0.524 -10.602 1.00 0.00 O ATOM 134 NE2 GLN A 176 -11.033 -2.288 -11.826 1.00 0.00 N ATOM 0 H GLN A 176 -5.710 -1.245 -10.120 1.00 0.00 H new ATOM 0 HA GLN A 176 -7.361 -3.558 -11.017 1.00 0.00 H new ATOM 0 HB2 GLN A 176 -7.770 -2.539 -8.735 1.00 0.00 H new ATOM 0 HB3 GLN A 176 -8.163 -1.033 -9.541 1.00 0.00 H new ATOM 0 HG2 GLN A 176 -9.610 -3.616 -10.218 1.00 0.00 H new ATOM 0 HG3 GLN A 176 -10.106 -2.620 -8.865 1.00 0.00 H new ATOM 0 HE21 GLN A 176 -10.915 -3.287 -11.997 1.00 0.00 H new ATOM 0 HE22 GLN A 176 -11.599 -1.725 -12.462 1.00 0.00 H new ATOM 143 N ASN A 177 -7.956 -2.525 -13.152 1.00 0.00 N ATOM 144 CA ASN A 177 -8.309 -2.041 -14.491 1.00 0.00 C ATOM 145 C ASN A 177 -9.329 -2.991 -15.167 1.00 0.00 C ATOM 146 O ASN A 177 -9.659 -4.053 -14.624 1.00 0.00 O ATOM 147 CB ASN A 177 -6.990 -1.919 -15.295 1.00 0.00 C ATOM 148 CG ASN A 177 -7.101 -1.136 -16.597 1.00 0.00 C ATOM 149 OD1 ASN A 177 -8.057 -0.416 -16.854 1.00 0.00 O ATOM 150 ND2 ASN A 177 -6.128 -1.256 -17.471 1.00 0.00 N ATOM 0 H ASN A 177 -8.042 -3.538 -13.066 1.00 0.00 H new ATOM 0 HA ASN A 177 -8.797 -1.068 -14.443 1.00 0.00 H new ATOM 0 HB2 ASN A 177 -6.240 -1.442 -14.664 1.00 0.00 H new ATOM 0 HB3 ASN A 177 -6.626 -2.921 -15.521 1.00 0.00 H new ATOM 0 HD21 ASN A 177 -6.172 -0.751 -18.356 1.00 0.00 H new ATOM 0 HD22 ASN A 177 -5.328 -1.854 -17.265 1.00 0.00 H new ATOM 157 N ARG A 178 -9.817 -2.620 -16.358 1.00 0.00 N ATOM 158 CA ARG A 178 -10.736 -3.403 -17.207 1.00 0.00 C ATOM 159 C ARG A 178 -10.037 -4.653 -17.793 1.00 0.00 C ATOM 160 O ARG A 178 -8.880 -4.944 -17.482 1.00 0.00 O ATOM 161 CB ARG A 178 -11.286 -2.460 -18.306 1.00 0.00 C ATOM 162 CG ARG A 178 -12.733 -2.776 -18.725 1.00 0.00 C ATOM 163 CD ARG A 178 -13.190 -1.852 -19.860 1.00 0.00 C ATOM 164 NE ARG A 178 -14.575 -2.155 -20.266 1.00 0.00 N ATOM 165 CZ ARG A 178 -15.167 -1.773 -21.388 1.00 0.00 C ATOM 166 NH1 ARG A 178 -14.563 -1.052 -22.297 1.00 0.00 N ATOM 167 NH2 ARG A 178 -16.404 -2.115 -21.626 1.00 0.00 N ATOM 0 H ARG A 178 -9.573 -1.724 -16.779 1.00 0.00 H new ATOM 0 HA ARG A 178 -11.567 -3.786 -16.614 1.00 0.00 H new ATOM 0 HB2 ARG A 178 -11.237 -1.432 -17.948 1.00 0.00 H new ATOM 0 HB3 ARG A 178 -10.641 -2.523 -19.183 1.00 0.00 H new ATOM 0 HG2 ARG A 178 -12.804 -3.815 -19.046 1.00 0.00 H new ATOM 0 HG3 ARG A 178 -13.397 -2.661 -17.868 1.00 0.00 H new ATOM 0 HD2 ARG A 178 -13.121 -0.813 -19.537 1.00 0.00 H new ATOM 0 HD3 ARG A 178 -12.524 -1.965 -20.715 1.00 0.00 H new ATOM 0 HE ARG A 178 -15.132 -2.714 -19.619 1.00 0.00 H new ATOM 0 HH11 ARG A 178 -13.596 -0.760 -22.157 1.00 0.00 H new ATOM 0 HH12 ARG A 178 -15.059 -0.781 -23.146 1.00 0.00 H new ATOM 0 HH21 ARG A 178 -16.917 -2.678 -20.947 1.00 0.00 H new ATOM 0 HH22 ARG A 178 -16.857 -1.820 -22.491 1.00 0.00 H new ATOM 181 N GLU A 179 -10.738 -5.392 -18.655 1.00 0.00 N ATOM 182 CA GLU A 179 -10.241 -6.583 -19.370 1.00 0.00 C ATOM 183 C GLU A 179 -8.990 -6.281 -20.242 1.00 0.00 C ATOM 184 O GLU A 179 -8.621 -5.119 -20.444 1.00 0.00 O ATOM 185 CB GLU A 179 -11.418 -7.149 -20.196 1.00 0.00 C ATOM 186 CG GLU A 179 -11.243 -8.604 -20.658 1.00 0.00 C ATOM 187 CD GLU A 179 -12.548 -9.156 -21.248 1.00 0.00 C ATOM 188 OE1 GLU A 179 -12.758 -8.993 -22.473 1.00 0.00 O ATOM 189 OE2 GLU A 179 -13.343 -9.744 -20.473 1.00 0.00 O ATOM 0 H GLU A 179 -11.707 -5.174 -18.888 1.00 0.00 H new ATOM 0 HA GLU A 179 -9.896 -7.328 -18.653 1.00 0.00 H new ATOM 0 HB2 GLU A 179 -12.328 -7.079 -19.600 1.00 0.00 H new ATOM 0 HB3 GLU A 179 -11.563 -6.519 -21.074 1.00 0.00 H new ATOM 0 HG2 GLU A 179 -10.451 -8.659 -21.404 1.00 0.00 H new ATOM 0 HG3 GLU A 179 -10.931 -9.221 -19.816 1.00 0.00 H new ATOM 196 N MET A 180 -8.333 -7.328 -20.764 1.00 0.00 N ATOM 197 CA MET A 180 -7.129 -7.253 -21.615 1.00 0.00 C ATOM 198 C MET A 180 -7.230 -6.215 -22.753 1.00 0.00 C ATOM 199 O MET A 180 -8.317 -5.956 -23.279 1.00 0.00 O ATOM 200 CB MET A 180 -6.814 -8.640 -22.202 1.00 0.00 C ATOM 201 CG MET A 180 -6.435 -9.666 -21.125 1.00 0.00 C ATOM 202 SD MET A 180 -6.082 -11.336 -21.746 1.00 0.00 S ATOM 203 CE MET A 180 -4.514 -11.054 -22.618 1.00 0.00 C ATOM 0 H MET A 180 -8.635 -8.288 -20.600 1.00 0.00 H new ATOM 0 HA MET A 180 -6.320 -6.918 -20.966 1.00 0.00 H new ATOM 0 HB2 MET A 180 -7.681 -9.002 -22.754 1.00 0.00 H new ATOM 0 HB3 MET A 180 -5.996 -8.550 -22.917 1.00 0.00 H new ATOM 0 HG2 MET A 180 -5.559 -9.301 -20.589 1.00 0.00 H new ATOM 0 HG3 MET A 180 -7.248 -9.728 -20.402 1.00 0.00 H new ATOM 0 HE1 MET A 180 -4.114 -12.007 -22.964 1.00 0.00 H new ATOM 0 HE2 MET A 180 -4.686 -10.401 -23.473 1.00 0.00 H new ATOM 0 HE3 MET A 180 -3.800 -10.585 -21.941 1.00 0.00 H new ATOM 213 N ILE A 181 -6.079 -5.634 -23.127 1.00 0.00 N ATOM 214 CA ILE A 181 -5.934 -4.585 -24.154 1.00 0.00 C ATOM 215 C ILE A 181 -6.773 -4.849 -25.420 1.00 0.00 C ATOM 216 O ILE A 181 -6.755 -5.940 -25.991 1.00 0.00 O ATOM 217 CB ILE A 181 -4.437 -4.308 -24.436 1.00 0.00 C ATOM 218 CG1 ILE A 181 -4.266 -2.945 -25.143 1.00 0.00 C ATOM 219 CG2 ILE A 181 -3.754 -5.458 -25.200 1.00 0.00 C ATOM 220 CD1 ILE A 181 -2.805 -2.511 -25.318 1.00 0.00 C ATOM 0 H ILE A 181 -5.186 -5.891 -22.706 1.00 0.00 H new ATOM 0 HA ILE A 181 -6.358 -3.665 -23.752 1.00 0.00 H new ATOM 0 HB ILE A 181 -3.923 -4.254 -23.476 1.00 0.00 H new ATOM 0 HG12 ILE A 181 -4.739 -2.994 -26.124 1.00 0.00 H new ATOM 0 HG13 ILE A 181 -4.795 -2.182 -24.572 1.00 0.00 H new ATOM 0 HG21 ILE A 181 -2.706 -5.210 -25.370 1.00 0.00 H new ATOM 0 HG22 ILE A 181 -3.819 -6.374 -24.613 1.00 0.00 H new ATOM 0 HG23 ILE A 181 -4.253 -5.605 -26.158 1.00 0.00 H new ATOM 0 HD11 ILE A 181 -2.770 -1.545 -25.822 1.00 0.00 H new ATOM 0 HD12 ILE A 181 -2.331 -2.427 -24.340 1.00 0.00 H new ATOM 0 HD13 ILE A 181 -2.275 -3.252 -25.916 1.00 0.00 H new ATOM 232 N ASP A 182 -7.538 -3.837 -25.831 1.00 0.00 N ATOM 233 CA ASP A 182 -8.523 -3.875 -26.920 1.00 0.00 C ATOM 234 C ASP A 182 -8.254 -2.831 -28.028 1.00 0.00 C ATOM 235 O ASP A 182 -9.020 -1.874 -28.187 1.00 0.00 O ATOM 236 CB ASP A 182 -9.933 -3.782 -26.297 1.00 0.00 C ATOM 237 CG ASP A 182 -10.276 -2.440 -25.621 1.00 0.00 C ATOM 238 OD1 ASP A 182 -9.417 -1.891 -24.887 1.00 0.00 O ATOM 239 OD2 ASP A 182 -11.427 -1.973 -25.802 1.00 0.00 O ATOM 0 H ASP A 182 -7.487 -2.918 -25.391 1.00 0.00 H new ATOM 0 HA ASP A 182 -8.438 -4.822 -27.453 1.00 0.00 H new ATOM 0 HB2 ASP A 182 -10.669 -3.973 -27.078 1.00 0.00 H new ATOM 0 HB3 ASP A 182 -10.038 -4.577 -25.559 1.00 0.00 H new ATOM 244 N PRO A 183 -7.162 -2.986 -28.804 1.00 0.00 N ATOM 245 CA PRO A 183 -6.824 -2.068 -29.889 1.00 0.00 C ATOM 246 C PRO A 183 -7.760 -2.257 -31.093 1.00 0.00 C ATOM 247 O PRO A 183 -8.310 -3.339 -31.319 1.00 0.00 O ATOM 248 CB PRO A 183 -5.375 -2.408 -30.253 1.00 0.00 C ATOM 249 CG PRO A 183 -5.283 -3.905 -29.958 1.00 0.00 C ATOM 250 CD PRO A 183 -6.189 -4.072 -28.740 1.00 0.00 C ATOM 0 HA PRO A 183 -6.937 -1.026 -29.591 1.00 0.00 H new ATOM 0 HB2 PRO A 183 -5.161 -2.190 -31.299 1.00 0.00 H new ATOM 0 HB3 PRO A 183 -4.665 -1.836 -29.656 1.00 0.00 H new ATOM 0 HG2 PRO A 183 -5.626 -4.504 -30.801 1.00 0.00 H new ATOM 0 HG3 PRO A 183 -4.259 -4.212 -29.744 1.00 0.00 H new ATOM 0 HD2 PRO A 183 -6.687 -5.042 -28.755 1.00 0.00 H new ATOM 0 HD3 PRO A 183 -5.612 -4.024 -27.816 1.00 0.00 H new ATOM 258 N ASP A 184 -7.913 -1.211 -31.907 1.00 0.00 N ATOM 259 CA ASP A 184 -8.700 -1.280 -33.144 1.00 0.00 C ATOM 260 C ASP A 184 -7.895 -2.013 -34.235 1.00 0.00 C ATOM 261 O ASP A 184 -6.703 -1.742 -34.421 1.00 0.00 O ATOM 262 CB ASP A 184 -9.086 0.129 -33.611 1.00 0.00 C ATOM 263 CG ASP A 184 -10.024 0.823 -32.618 1.00 0.00 C ATOM 264 OD1 ASP A 184 -11.220 0.447 -32.581 1.00 0.00 O ATOM 265 OD2 ASP A 184 -9.548 1.730 -31.894 1.00 0.00 O ATOM 0 H ASP A 184 -7.498 -0.296 -31.731 1.00 0.00 H new ATOM 0 HA ASP A 184 -9.617 -1.837 -32.951 1.00 0.00 H new ATOM 0 HB2 ASP A 184 -8.185 0.729 -33.739 1.00 0.00 H new ATOM 0 HB3 ASP A 184 -9.570 0.069 -34.586 1.00 0.00 H new ATOM 270 N LYS A 185 -8.538 -2.933 -34.963 1.00 0.00 N ATOM 271 CA LYS A 185 -7.938 -3.743 -36.034 1.00 0.00 C ATOM 272 C LYS A 185 -8.872 -3.825 -37.243 1.00 0.00 C ATOM 273 O LYS A 185 -10.066 -3.546 -37.135 1.00 0.00 O ATOM 274 CB LYS A 185 -7.615 -5.144 -35.483 1.00 0.00 C ATOM 275 CG LYS A 185 -6.431 -5.205 -34.506 1.00 0.00 C ATOM 276 CD LYS A 185 -5.085 -4.889 -35.183 1.00 0.00 C ATOM 277 CE LYS A 185 -3.901 -5.166 -34.251 1.00 0.00 C ATOM 278 NZ LYS A 185 -3.854 -4.207 -33.126 1.00 0.00 N ATOM 0 H LYS A 185 -9.526 -3.143 -34.819 1.00 0.00 H new ATOM 0 HA LYS A 185 -7.015 -3.272 -36.372 1.00 0.00 H new ATOM 0 HB2 LYS A 185 -8.501 -5.532 -34.980 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -7.408 -5.808 -36.322 1.00 0.00 H new ATOM 0 HG2 LYS A 185 -6.599 -4.498 -33.693 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -6.384 -6.198 -34.060 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -4.984 -5.488 -36.088 1.00 0.00 H new ATOM 0 HD3 LYS A 185 -5.069 -3.843 -35.490 1.00 0.00 H new ATOM 0 HE2 LYS A 185 -3.975 -6.181 -33.861 1.00 0.00 H new ATOM 0 HE3 LYS A 185 -2.971 -5.109 -34.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 -2.923 -3.745 -33.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 -4.594 -3.487 -33.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 -4.012 -4.713 -32.231 1.00 0.00 H new ATOM 292 N PHE A 186 -8.325 -4.209 -38.394 1.00 0.00 N ATOM 293 CA PHE A 186 -9.048 -4.293 -39.665 1.00 0.00 C ATOM 294 C PHE A 186 -8.507 -5.414 -40.570 1.00 0.00 C ATOM 295 O PHE A 186 -7.324 -5.766 -40.503 1.00 0.00 O ATOM 296 CB PHE A 186 -8.931 -2.918 -40.354 1.00 0.00 C ATOM 297 CG PHE A 186 -9.573 -2.805 -41.727 1.00 0.00 C ATOM 298 CD1 PHE A 186 -10.974 -2.815 -41.852 1.00 0.00 C ATOM 299 CD2 PHE A 186 -8.775 -2.688 -42.882 1.00 0.00 C ATOM 300 CE1 PHE A 186 -11.577 -2.765 -43.121 1.00 0.00 C ATOM 301 CE2 PHE A 186 -9.378 -2.589 -44.149 1.00 0.00 C ATOM 302 CZ PHE A 186 -10.779 -2.643 -44.271 1.00 0.00 C ATOM 0 H PHE A 186 -7.344 -4.477 -38.473 1.00 0.00 H new ATOM 0 HA PHE A 186 -10.092 -4.543 -39.476 1.00 0.00 H new ATOM 0 HB2 PHE A 186 -9.379 -2.168 -39.702 1.00 0.00 H new ATOM 0 HB3 PHE A 186 -7.874 -2.669 -40.447 1.00 0.00 H new ATOM 0 HD1 PHE A 186 -11.591 -2.861 -40.967 1.00 0.00 H new ATOM 0 HD2 PHE A 186 -7.699 -2.674 -42.795 1.00 0.00 H new ATOM 0 HE1 PHE A 186 -12.652 -2.820 -43.212 1.00 0.00 H new ATOM 0 HE2 PHE A 186 -8.765 -2.471 -45.030 1.00 0.00 H new ATOM 0 HZ PHE A 186 -11.240 -2.591 -45.246 1.00 0.00 H new ATOM 312 N CYS A 187 -9.374 -5.938 -41.436 1.00 0.00 N ATOM 313 CA CYS A 187 -9.093 -6.954 -42.444 1.00 0.00 C ATOM 314 C CYS A 187 -9.465 -6.374 -43.818 1.00 0.00 C ATOM 315 O CYS A 187 -10.641 -6.153 -44.128 1.00 0.00 O ATOM 316 CB CYS A 187 -9.873 -8.239 -42.123 1.00 0.00 C ATOM 317 SG CYS A 187 -9.513 -9.517 -43.371 1.00 0.00 S ATOM 0 H CYS A 187 -10.351 -5.645 -41.451 1.00 0.00 H new ATOM 0 HA CYS A 187 -8.036 -7.221 -42.451 1.00 0.00 H new ATOM 0 HB2 CYS A 187 -9.601 -8.601 -41.131 1.00 0.00 H new ATOM 0 HB3 CYS A 187 -10.942 -8.029 -42.104 1.00 0.00 H new ATOM 322 N SER A 188 -8.450 -6.088 -44.638 1.00 0.00 N ATOM 323 CA SER A 188 -8.620 -5.527 -45.984 1.00 0.00 C ATOM 324 C SER A 188 -9.124 -6.546 -47.014 1.00 0.00 C ATOM 325 O SER A 188 -9.582 -6.148 -48.089 1.00 0.00 O ATOM 326 CB SER A 188 -7.308 -4.892 -46.459 1.00 0.00 C ATOM 327 OG SER A 188 -6.243 -5.831 -46.426 1.00 0.00 O ATOM 0 H SER A 188 -7.474 -6.241 -44.384 1.00 0.00 H new ATOM 0 HA SER A 188 -9.395 -4.765 -45.906 1.00 0.00 H new ATOM 0 HB2 SER A 188 -7.431 -4.512 -47.473 1.00 0.00 H new ATOM 0 HB3 SER A 188 -7.064 -4.038 -45.827 1.00 0.00 H new ATOM 0 HG SER A 188 -5.418 -5.401 -46.735 1.00 0.00 H new ATOM 333 N LEU A 189 -9.085 -7.846 -46.698 1.00 0.00 N ATOM 334 CA LEU A 189 -9.578 -8.915 -47.567 1.00 0.00 C ATOM 335 C LEU A 189 -11.097 -9.084 -47.376 1.00 0.00 C ATOM 336 O LEU A 189 -11.843 -9.080 -48.360 1.00 0.00 O ATOM 337 CB LEU A 189 -8.832 -10.237 -47.291 1.00 0.00 C ATOM 338 CG LEU A 189 -7.328 -10.236 -47.649 1.00 0.00 C ATOM 339 CD1 LEU A 189 -6.428 -9.649 -46.558 1.00 0.00 C ATOM 340 CD2 LEU A 189 -6.861 -11.673 -47.891 1.00 0.00 C ATOM 0 H LEU A 189 -8.703 -8.188 -45.816 1.00 0.00 H new ATOM 0 HA LEU A 189 -9.386 -8.642 -48.605 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -8.936 -10.480 -46.233 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -9.321 -11.034 -47.851 1.00 0.00 H new ATOM 0 HG LEU A 189 -7.238 -9.608 -48.536 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -5.389 -9.684 -46.885 1.00 0.00 H new ATOM 0 HD12 LEU A 189 -6.714 -8.614 -46.368 1.00 0.00 H new ATOM 0 HD13 LEU A 189 -6.540 -10.230 -45.643 1.00 0.00 H new ATOM 0 HD21 LEU A 189 -5.801 -11.673 -48.144 1.00 0.00 H new ATOM 0 HD22 LEU A 189 -7.019 -12.264 -46.989 1.00 0.00 H new ATOM 0 HD23 LEU A 189 -7.430 -12.107 -48.713 1.00 0.00 H new ATOM 352 N CYS A 190 -11.556 -9.196 -46.126 1.00 0.00 N ATOM 353 CA CYS A 190 -12.964 -9.346 -45.751 1.00 0.00 C ATOM 354 C CYS A 190 -13.724 -8.008 -45.608 1.00 0.00 C ATOM 355 O CYS A 190 -14.955 -8.018 -45.497 1.00 0.00 O ATOM 356 CB CYS A 190 -13.015 -10.088 -44.404 1.00 0.00 C ATOM 357 SG CYS A 190 -12.259 -11.738 -44.502 1.00 0.00 S ATOM 0 H CYS A 190 -10.934 -9.184 -45.318 1.00 0.00 H new ATOM 0 HA CYS A 190 -13.456 -9.894 -46.554 1.00 0.00 H new ATOM 0 HB2 CYS A 190 -12.499 -9.498 -43.646 1.00 0.00 H new ATOM 0 HB3 CYS A 190 -14.052 -10.184 -44.083 1.00 0.00 H new ATOM 362 N HIS A 191 -13.014 -6.869 -45.563 1.00 0.00 N ATOM 363 CA HIS A 191 -13.565 -5.529 -45.289 1.00 0.00 C ATOM 364 C HIS A 191 -14.337 -5.535 -43.953 1.00 0.00 C ATOM 365 O HIS A 191 -15.528 -5.218 -43.884 1.00 0.00 O ATOM 366 CB HIS A 191 -14.336 -4.992 -46.510 1.00 0.00 C ATOM 367 CG HIS A 191 -14.563 -3.501 -46.454 1.00 0.00 C ATOM 368 ND1 HIS A 191 -13.679 -2.532 -46.893 1.00 0.00 N ATOM 369 CD2 HIS A 191 -15.665 -2.862 -45.957 1.00 0.00 C ATOM 370 CE1 HIS A 191 -14.233 -1.325 -46.665 1.00 0.00 C ATOM 371 NE2 HIS A 191 -15.441 -1.505 -46.094 1.00 0.00 N ATOM 0 H HIS A 191 -12.007 -6.854 -45.722 1.00 0.00 H new ATOM 0 HA HIS A 191 -12.762 -4.806 -45.145 1.00 0.00 H new ATOM 0 HB2 HIS A 191 -13.784 -5.236 -47.418 1.00 0.00 H new ATOM 0 HB3 HIS A 191 -15.299 -5.498 -46.576 1.00 0.00 H new ATOM 0 HD2 HIS A 191 -16.544 -3.329 -45.537 1.00 0.00 H new ATOM 0 HE1 HIS A 191 -13.784 -0.372 -46.901 1.00 0.00 H new ATOM 0 HE2 HIS A 191 -16.082 -0.764 -45.811 1.00 0.00 H new ATOM 380 N ALA A 192 -13.640 -5.950 -42.891 1.00 0.00 N ATOM 381 CA ALA A 192 -14.161 -6.135 -41.532 1.00 0.00 C ATOM 382 C ALA A 192 -13.286 -5.415 -40.488 1.00 0.00 C ATOM 383 O ALA A 192 -12.068 -5.347 -40.646 1.00 0.00 O ATOM 384 CB ALA A 192 -14.234 -7.646 -41.259 1.00 0.00 C ATOM 0 H ALA A 192 -12.648 -6.177 -42.958 1.00 0.00 H new ATOM 0 HA ALA A 192 -15.154 -5.693 -41.451 1.00 0.00 H new ATOM 0 HB1 ALA A 192 -14.619 -7.816 -40.253 1.00 0.00 H new ATOM 0 HB2 ALA A 192 -14.897 -8.115 -41.985 1.00 0.00 H new ATOM 0 HB3 ALA A 192 -13.238 -8.080 -41.344 1.00 0.00 H new ATOM 390 N THR A 193 -13.903 -4.891 -39.422 1.00 0.00 N ATOM 391 CA THR A 193 -13.239 -4.114 -38.349 1.00 0.00 C ATOM 392 C THR A 193 -13.474 -4.757 -36.977 1.00 0.00 C ATOM 393 O THR A 193 -14.537 -5.339 -36.740 1.00 0.00 O ATOM 394 CB THR A 193 -13.763 -2.662 -38.335 1.00 0.00 C ATOM 395 OG1 THR A 193 -13.764 -2.105 -39.636 1.00 0.00 O ATOM 396 CG2 THR A 193 -12.924 -1.712 -37.478 1.00 0.00 C ATOM 0 H THR A 193 -14.906 -4.994 -39.271 1.00 0.00 H new ATOM 0 HA THR A 193 -12.168 -4.110 -38.554 1.00 0.00 H new ATOM 0 HB THR A 193 -14.767 -2.746 -37.918 1.00 0.00 H new ATOM 0 HG1 THR A 193 -14.102 -1.186 -39.598 1.00 0.00 H new ATOM 0 HG21 THR A 193 -13.354 -0.711 -37.517 1.00 0.00 H new ATOM 0 HG22 THR A 193 -12.917 -2.063 -36.446 1.00 0.00 H new ATOM 0 HG23 THR A 193 -11.903 -1.684 -37.859 1.00 0.00 H new ATOM 404 N PHE A 194 -12.499 -4.649 -36.066 1.00 0.00 N ATOM 405 CA PHE A 194 -12.533 -5.252 -34.725 1.00 0.00 C ATOM 406 C PHE A 194 -12.040 -4.253 -33.669 1.00 0.00 C ATOM 407 O PHE A 194 -11.244 -3.363 -33.974 1.00 0.00 O ATOM 408 CB PHE A 194 -11.677 -6.540 -34.713 1.00 0.00 C ATOM 409 CG PHE A 194 -11.664 -7.295 -36.034 1.00 0.00 C ATOM 410 CD1 PHE A 194 -12.803 -8.014 -36.448 1.00 0.00 C ATOM 411 CD2 PHE A 194 -10.575 -7.154 -36.913 1.00 0.00 C ATOM 412 CE1 PHE A 194 -12.867 -8.541 -37.747 1.00 0.00 C ATOM 413 CE2 PHE A 194 -10.635 -7.689 -38.212 1.00 0.00 C ATOM 414 CZ PHE A 194 -11.787 -8.364 -38.633 1.00 0.00 C ATOM 0 H PHE A 194 -11.641 -4.126 -36.245 1.00 0.00 H new ATOM 0 HA PHE A 194 -13.562 -5.513 -34.477 1.00 0.00 H new ATOM 0 HB2 PHE A 194 -10.653 -6.279 -34.447 1.00 0.00 H new ATOM 0 HB3 PHE A 194 -12.050 -7.203 -33.932 1.00 0.00 H new ATOM 0 HD1 PHE A 194 -13.627 -8.160 -35.765 1.00 0.00 H new ATOM 0 HD2 PHE A 194 -9.687 -6.632 -36.588 1.00 0.00 H new ATOM 0 HE1 PHE A 194 -13.745 -9.082 -38.067 1.00 0.00 H new ATOM 0 HE2 PHE A 194 -9.795 -7.580 -38.883 1.00 0.00 H new ATOM 0 HZ PHE A 194 -11.847 -8.750 -39.640 1.00 0.00 H new ATOM 424 N ASN A 195 -12.505 -4.400 -32.426 1.00 0.00 N ATOM 425 CA ASN A 195 -12.167 -3.519 -31.297 1.00 0.00 C ATOM 426 C ASN A 195 -12.072 -4.289 -29.959 1.00 0.00 C ATOM 427 O ASN A 195 -12.413 -3.768 -28.897 1.00 0.00 O ATOM 428 CB ASN A 195 -13.167 -2.342 -31.273 1.00 0.00 C ATOM 429 CG ASN A 195 -14.623 -2.758 -31.114 1.00 0.00 C ATOM 430 OD1 ASN A 195 -15.412 -2.723 -32.049 1.00 0.00 O ATOM 431 ND2 ASN A 195 -15.028 -3.176 -29.936 1.00 0.00 N ATOM 0 H ASN A 195 -13.143 -5.152 -32.167 1.00 0.00 H new ATOM 0 HA ASN A 195 -11.167 -3.109 -31.436 1.00 0.00 H new ATOM 0 HB2 ASN A 195 -12.902 -1.672 -30.455 1.00 0.00 H new ATOM 0 HB3 ASN A 195 -13.063 -1.774 -32.197 1.00 0.00 H new ATOM 0 HD21 ASN A 195 -15.996 -3.469 -29.804 1.00 0.00 H new ATOM 0 HD22 ASN A 195 -14.374 -3.207 -29.154 1.00 0.00 H new ATOM 438 N ASP A 196 -11.640 -5.550 -30.018 1.00 0.00 N ATOM 439 CA ASP A 196 -11.486 -6.480 -28.892 1.00 0.00 C ATOM 440 C ASP A 196 -10.401 -7.523 -29.255 1.00 0.00 C ATOM 441 O ASP A 196 -10.315 -7.909 -30.428 1.00 0.00 O ATOM 442 CB ASP A 196 -12.868 -7.112 -28.619 1.00 0.00 C ATOM 443 CG ASP A 196 -12.843 -8.268 -27.617 1.00 0.00 C ATOM 444 OD1 ASP A 196 -12.462 -9.385 -28.039 1.00 0.00 O ATOM 445 OD2 ASP A 196 -13.188 -8.035 -26.437 1.00 0.00 O ATOM 0 H ASP A 196 -11.372 -5.977 -30.905 1.00 0.00 H new ATOM 0 HA ASP A 196 -11.155 -5.983 -27.980 1.00 0.00 H new ATOM 0 HB2 ASP A 196 -13.541 -6.339 -28.248 1.00 0.00 H new ATOM 0 HB3 ASP A 196 -13.283 -7.471 -29.561 1.00 0.00 H new ATOM 450 N PRO A 197 -9.564 -7.986 -28.300 1.00 0.00 N ATOM 451 CA PRO A 197 -8.461 -8.906 -28.595 1.00 0.00 C ATOM 452 C PRO A 197 -8.915 -10.240 -29.186 1.00 0.00 C ATOM 453 O PRO A 197 -8.427 -10.669 -30.232 1.00 0.00 O ATOM 454 CB PRO A 197 -7.730 -9.137 -27.260 1.00 0.00 C ATOM 455 CG PRO A 197 -8.716 -8.685 -26.184 1.00 0.00 C ATOM 456 CD PRO A 197 -9.566 -7.632 -26.885 1.00 0.00 C ATOM 0 HA PRO A 197 -7.819 -8.464 -29.357 1.00 0.00 H new ATOM 0 HB2 PRO A 197 -7.462 -10.186 -27.134 1.00 0.00 H new ATOM 0 HB3 PRO A 197 -6.804 -8.563 -27.213 1.00 0.00 H new ATOM 0 HG2 PRO A 197 -9.324 -9.515 -25.825 1.00 0.00 H new ATOM 0 HG3 PRO A 197 -8.200 -8.270 -25.318 1.00 0.00 H new ATOM 0 HD2 PRO A 197 -10.581 -7.622 -26.487 1.00 0.00 H new ATOM 0 HD3 PRO A 197 -9.154 -6.634 -26.732 1.00 0.00 H new ATOM 464 N VAL A 198 -9.864 -10.893 -28.518 1.00 0.00 N ATOM 465 CA VAL A 198 -10.394 -12.200 -28.919 1.00 0.00 C ATOM 466 C VAL A 198 -11.158 -12.090 -30.237 1.00 0.00 C ATOM 467 O VAL A 198 -10.982 -12.939 -31.102 1.00 0.00 O ATOM 468 CB VAL A 198 -11.233 -12.803 -27.777 1.00 0.00 C ATOM 469 CG1 VAL A 198 -11.800 -14.180 -28.139 1.00 0.00 C ATOM 470 CG2 VAL A 198 -10.354 -12.967 -26.523 1.00 0.00 C ATOM 0 H VAL A 198 -10.295 -10.525 -27.670 1.00 0.00 H new ATOM 0 HA VAL A 198 -9.570 -12.889 -29.102 1.00 0.00 H new ATOM 0 HB VAL A 198 -12.063 -12.120 -27.595 1.00 0.00 H new ATOM 0 HG11 VAL A 198 -12.384 -14.564 -27.303 1.00 0.00 H new ATOM 0 HG12 VAL A 198 -12.439 -14.091 -29.017 1.00 0.00 H new ATOM 0 HG13 VAL A 198 -10.981 -14.866 -28.355 1.00 0.00 H new ATOM 0 HG21 VAL A 198 -10.949 -13.394 -25.715 1.00 0.00 H new ATOM 0 HG22 VAL A 198 -9.519 -13.630 -26.748 1.00 0.00 H new ATOM 0 HG23 VAL A 198 -9.972 -11.993 -26.217 1.00 0.00 H new ATOM 480 N MET A 199 -11.939 -11.024 -30.444 1.00 0.00 N ATOM 481 CA MET A 199 -12.651 -10.764 -31.705 1.00 0.00 C ATOM 482 C MET A 199 -11.675 -10.671 -32.889 1.00 0.00 C ATOM 483 O MET A 199 -11.885 -11.324 -33.913 1.00 0.00 O ATOM 484 CB MET A 199 -13.448 -9.459 -31.553 1.00 0.00 C ATOM 485 CG MET A 199 -14.351 -9.125 -32.744 1.00 0.00 C ATOM 486 SD MET A 199 -15.068 -7.461 -32.620 1.00 0.00 S ATOM 487 CE MET A 199 -16.221 -7.499 -34.019 1.00 0.00 C ATOM 0 H MET A 199 -12.098 -10.309 -29.735 1.00 0.00 H new ATOM 0 HA MET A 199 -13.329 -11.592 -31.915 1.00 0.00 H new ATOM 0 HB2 MET A 199 -14.062 -9.525 -30.655 1.00 0.00 H new ATOM 0 HB3 MET A 199 -12.749 -8.637 -31.401 1.00 0.00 H new ATOM 0 HG2 MET A 199 -13.775 -9.202 -33.666 1.00 0.00 H new ATOM 0 HG3 MET A 199 -15.153 -9.860 -32.806 1.00 0.00 H new ATOM 0 HE1 MET A 199 -16.746 -6.546 -34.084 1.00 0.00 H new ATOM 0 HE2 MET A 199 -15.668 -7.672 -34.942 1.00 0.00 H new ATOM 0 HE3 MET A 199 -16.944 -8.302 -33.873 1.00 0.00 H new ATOM 497 N ALA A 200 -10.587 -9.904 -32.737 1.00 0.00 N ATOM 498 CA ALA A 200 -9.544 -9.778 -33.753 1.00 0.00 C ATOM 499 C ALA A 200 -8.883 -11.135 -34.040 1.00 0.00 C ATOM 500 O ALA A 200 -8.828 -11.575 -35.190 1.00 0.00 O ATOM 501 CB ALA A 200 -8.496 -8.769 -33.266 1.00 0.00 C ATOM 0 H ALA A 200 -10.409 -9.351 -31.898 1.00 0.00 H new ATOM 0 HA ALA A 200 -9.994 -9.427 -34.682 1.00 0.00 H new ATOM 0 HB1 ALA A 200 -7.712 -8.667 -34.017 1.00 0.00 H new ATOM 0 HB2 ALA A 200 -8.971 -7.801 -33.103 1.00 0.00 H new ATOM 0 HB3 ALA A 200 -8.059 -9.121 -32.331 1.00 0.00 H new ATOM 507 N GLN A 201 -8.402 -11.812 -32.990 1.00 0.00 N ATOM 508 CA GLN A 201 -7.728 -13.105 -33.112 1.00 0.00 C ATOM 509 C GLN A 201 -8.618 -14.182 -33.758 1.00 0.00 C ATOM 510 O GLN A 201 -8.152 -14.920 -34.627 1.00 0.00 O ATOM 511 CB GLN A 201 -7.235 -13.577 -31.734 1.00 0.00 C ATOM 512 CG GLN A 201 -6.025 -12.773 -31.232 1.00 0.00 C ATOM 513 CD GLN A 201 -5.593 -13.218 -29.835 1.00 0.00 C ATOM 514 OE1 GLN A 201 -6.282 -13.022 -28.841 1.00 0.00 O ATOM 515 NE2 GLN A 201 -4.439 -13.839 -29.693 1.00 0.00 N ATOM 0 H GLN A 201 -8.471 -11.475 -32.030 1.00 0.00 H new ATOM 0 HA GLN A 201 -6.876 -12.959 -33.776 1.00 0.00 H new ATOM 0 HB2 GLN A 201 -8.048 -13.492 -31.013 1.00 0.00 H new ATOM 0 HB3 GLN A 201 -6.968 -14.632 -31.790 1.00 0.00 H new ATOM 0 HG2 GLN A 201 -5.194 -12.894 -31.926 1.00 0.00 H new ATOM 0 HG3 GLN A 201 -6.274 -11.712 -31.216 1.00 0.00 H new ATOM 0 HE21 GLN A 201 -3.850 -14.013 -30.507 1.00 0.00 H new ATOM 0 HE22 GLN A 201 -4.135 -14.146 -28.769 1.00 0.00 H new ATOM 524 N GLN A 202 -9.896 -14.260 -33.365 1.00 0.00 N ATOM 525 CA GLN A 202 -10.871 -15.215 -33.901 1.00 0.00 C ATOM 526 C GLN A 202 -11.170 -14.966 -35.383 1.00 0.00 C ATOM 527 O GLN A 202 -11.275 -15.928 -36.145 1.00 0.00 O ATOM 528 CB GLN A 202 -12.178 -15.162 -33.085 1.00 0.00 C ATOM 529 CG GLN A 202 -12.070 -15.874 -31.723 1.00 0.00 C ATOM 530 CD GLN A 202 -11.944 -17.398 -31.807 1.00 0.00 C ATOM 531 OE1 GLN A 202 -12.205 -18.039 -32.818 1.00 0.00 O ATOM 532 NE2 GLN A 202 -11.536 -18.049 -30.738 1.00 0.00 N ATOM 0 H GLN A 202 -10.288 -13.647 -32.650 1.00 0.00 H new ATOM 0 HA GLN A 202 -10.429 -16.208 -33.816 1.00 0.00 H new ATOM 0 HB2 GLN A 202 -12.456 -14.121 -32.923 1.00 0.00 H new ATOM 0 HB3 GLN A 202 -12.980 -15.619 -33.665 1.00 0.00 H new ATOM 0 HG2 GLN A 202 -11.205 -15.480 -31.190 1.00 0.00 H new ATOM 0 HG3 GLN A 202 -12.950 -15.628 -31.129 1.00 0.00 H new ATOM 0 HE21 GLN A 202 -11.312 -17.538 -29.884 1.00 0.00 H new ATOM 0 HE22 GLN A 202 -11.443 -19.064 -30.764 1.00 0.00 H new ATOM 541 N HIS A 203 -11.280 -13.703 -35.817 1.00 0.00 N ATOM 542 CA HIS A 203 -11.544 -13.390 -37.225 1.00 0.00 C ATOM 543 C HIS A 203 -10.460 -13.967 -38.150 1.00 0.00 C ATOM 544 O HIS A 203 -10.779 -14.710 -39.080 1.00 0.00 O ATOM 545 CB HIS A 203 -11.695 -11.875 -37.443 1.00 0.00 C ATOM 546 CG HIS A 203 -11.947 -11.565 -38.901 1.00 0.00 C ATOM 547 ND1 HIS A 203 -13.156 -11.654 -39.558 1.00 0.00 N ATOM 548 CD2 HIS A 203 -10.987 -11.349 -39.857 1.00 0.00 C ATOM 549 CE1 HIS A 203 -12.920 -11.534 -40.878 1.00 0.00 C ATOM 550 NE2 HIS A 203 -11.609 -11.364 -41.108 1.00 0.00 N ATOM 0 H HIS A 203 -11.190 -12.885 -35.214 1.00 0.00 H new ATOM 0 HA HIS A 203 -12.489 -13.866 -37.485 1.00 0.00 H new ATOM 0 HB2 HIS A 203 -12.519 -11.496 -36.838 1.00 0.00 H new ATOM 0 HB3 HIS A 203 -10.793 -11.363 -37.108 1.00 0.00 H new ATOM 0 HD1 HIS A 203 -14.068 -11.787 -39.121 1.00 0.00 H new ATOM 0 HD2 HIS A 203 -9.934 -11.194 -39.674 1.00 0.00 H new ATOM 0 HE1 HIS A 203 -13.680 -11.570 -41.645 1.00 0.00 H new ATOM 558 N TYR A 204 -9.183 -13.669 -37.881 1.00 0.00 N ATOM 559 CA TYR A 204 -8.038 -14.113 -38.690 1.00 0.00 C ATOM 560 C TYR A 204 -7.839 -15.642 -38.807 1.00 0.00 C ATOM 561 O TYR A 204 -7.005 -16.083 -39.602 1.00 0.00 O ATOM 562 CB TYR A 204 -6.760 -13.421 -38.186 1.00 0.00 C ATOM 563 CG TYR A 204 -6.792 -11.897 -38.207 1.00 0.00 C ATOM 564 CD1 TYR A 204 -7.179 -11.207 -39.375 1.00 0.00 C ATOM 565 CD2 TYR A 204 -6.417 -11.165 -37.062 1.00 0.00 C ATOM 566 CE1 TYR A 204 -7.217 -9.800 -39.392 1.00 0.00 C ATOM 567 CE2 TYR A 204 -6.447 -9.757 -37.076 1.00 0.00 C ATOM 568 CZ TYR A 204 -6.845 -9.068 -38.242 1.00 0.00 C ATOM 569 OH TYR A 204 -6.846 -7.706 -38.250 1.00 0.00 O ATOM 0 H TYR A 204 -8.910 -13.101 -37.079 1.00 0.00 H new ATOM 0 HA TYR A 204 -8.268 -13.811 -39.712 1.00 0.00 H new ATOM 0 HB2 TYR A 204 -6.567 -13.750 -37.165 1.00 0.00 H new ATOM 0 HB3 TYR A 204 -5.920 -13.759 -38.793 1.00 0.00 H new ATOM 0 HD1 TYR A 204 -7.448 -11.762 -40.262 1.00 0.00 H new ATOM 0 HD2 TYR A 204 -6.105 -11.687 -36.169 1.00 0.00 H new ATOM 0 HE1 TYR A 204 -7.531 -9.279 -40.285 1.00 0.00 H new ATOM 0 HE2 TYR A 204 -6.165 -9.203 -36.193 1.00 0.00 H new ATOM 0 HH TYR A 204 -7.037 -7.384 -39.156 1.00 0.00 H new ATOM 579 N VAL A 205 -8.598 -16.458 -38.061 1.00 0.00 N ATOM 580 CA VAL A 205 -8.544 -17.937 -38.103 1.00 0.00 C ATOM 581 C VAL A 205 -9.911 -18.592 -38.366 1.00 0.00 C ATOM 582 O VAL A 205 -10.001 -19.821 -38.428 1.00 0.00 O ATOM 583 CB VAL A 205 -7.879 -18.531 -36.841 1.00 0.00 C ATOM 584 CG1 VAL A 205 -6.469 -17.967 -36.621 1.00 0.00 C ATOM 585 CG2 VAL A 205 -8.705 -18.317 -35.567 1.00 0.00 C ATOM 0 H VAL A 205 -9.284 -16.105 -37.394 1.00 0.00 H new ATOM 0 HA VAL A 205 -7.915 -18.177 -38.960 1.00 0.00 H new ATOM 0 HB VAL A 205 -7.819 -19.603 -37.030 1.00 0.00 H new ATOM 0 HG11 VAL A 205 -6.036 -18.410 -35.724 1.00 0.00 H new ATOM 0 HG12 VAL A 205 -5.844 -18.205 -37.481 1.00 0.00 H new ATOM 0 HG13 VAL A 205 -6.525 -16.885 -36.501 1.00 0.00 H new ATOM 0 HG21 VAL A 205 -8.183 -18.757 -34.717 1.00 0.00 H new ATOM 0 HG22 VAL A 205 -8.840 -17.249 -35.396 1.00 0.00 H new ATOM 0 HG23 VAL A 205 -9.679 -18.793 -35.681 1.00 0.00 H new ATOM 595 N GLY A 206 -10.977 -17.802 -38.535 1.00 0.00 N ATOM 596 CA GLY A 206 -12.336 -18.294 -38.786 1.00 0.00 C ATOM 597 C GLY A 206 -12.547 -18.784 -40.222 1.00 0.00 C ATOM 598 O GLY A 206 -11.906 -18.302 -41.160 1.00 0.00 O ATOM 0 H GLY A 206 -10.918 -16.784 -38.501 1.00 0.00 H new ATOM 0 HA2 GLY A 206 -12.553 -19.109 -38.096 1.00 0.00 H new ATOM 0 HA3 GLY A 206 -13.049 -17.497 -38.573 1.00 0.00 H new ATOM 602 N LYS A 207 -13.474 -19.736 -40.410 1.00 0.00 N ATOM 603 CA LYS A 207 -13.795 -20.348 -41.717 1.00 0.00 C ATOM 604 C LYS A 207 -14.099 -19.309 -42.804 1.00 0.00 C ATOM 605 O LYS A 207 -13.634 -19.450 -43.936 1.00 0.00 O ATOM 606 CB LYS A 207 -14.962 -21.350 -41.594 1.00 0.00 C ATOM 607 CG LYS A 207 -14.658 -22.635 -40.798 1.00 0.00 C ATOM 608 CD LYS A 207 -14.791 -22.488 -39.274 1.00 0.00 C ATOM 609 CE LYS A 207 -14.680 -23.859 -38.600 1.00 0.00 C ATOM 610 NZ LYS A 207 -14.876 -23.753 -37.138 1.00 0.00 N ATOM 0 H LYS A 207 -14.035 -20.112 -39.645 1.00 0.00 H new ATOM 0 HA LYS A 207 -12.899 -20.885 -42.027 1.00 0.00 H new ATOM 0 HB2 LYS A 207 -15.804 -20.843 -41.123 1.00 0.00 H new ATOM 0 HB3 LYS A 207 -15.281 -21.633 -42.597 1.00 0.00 H new ATOM 0 HG2 LYS A 207 -15.332 -23.423 -41.134 1.00 0.00 H new ATOM 0 HG3 LYS A 207 -13.644 -22.961 -41.032 1.00 0.00 H new ATOM 0 HD2 LYS A 207 -14.013 -21.824 -38.896 1.00 0.00 H new ATOM 0 HD3 LYS A 207 -15.749 -22.030 -39.027 1.00 0.00 H new ATOM 0 HE2 LYS A 207 -15.424 -24.536 -39.021 1.00 0.00 H new ATOM 0 HE3 LYS A 207 -13.701 -24.291 -38.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 -14.795 -24.696 -36.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 -14.151 -23.126 -36.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 -15.820 -23.362 -36.942 1.00 0.00 H new ATOM 624 N LYS A 208 -14.834 -18.245 -42.455 1.00 0.00 N ATOM 625 CA LYS A 208 -15.175 -17.137 -43.366 1.00 0.00 C ATOM 626 C LYS A 208 -13.922 -16.427 -43.889 1.00 0.00 C ATOM 627 O LYS A 208 -13.822 -16.206 -45.095 1.00 0.00 O ATOM 628 CB LYS A 208 -16.170 -16.191 -42.664 1.00 0.00 C ATOM 629 CG LYS A 208 -16.867 -15.192 -43.610 1.00 0.00 C ATOM 630 CD LYS A 208 -16.126 -13.865 -43.860 1.00 0.00 C ATOM 631 CE LYS A 208 -15.939 -12.998 -42.608 1.00 0.00 C ATOM 632 NZ LYS A 208 -17.232 -12.561 -42.038 1.00 0.00 N ATOM 0 H LYS A 208 -15.216 -18.125 -41.517 1.00 0.00 H new ATOM 0 HA LYS A 208 -15.666 -17.532 -44.255 1.00 0.00 H new ATOM 0 HB2 LYS A 208 -16.930 -16.789 -42.162 1.00 0.00 H new ATOM 0 HB3 LYS A 208 -15.641 -15.634 -41.891 1.00 0.00 H new ATOM 0 HG2 LYS A 208 -17.026 -15.683 -44.570 1.00 0.00 H new ATOM 0 HG3 LYS A 208 -17.852 -14.963 -43.202 1.00 0.00 H new ATOM 0 HD2 LYS A 208 -15.146 -14.084 -44.285 1.00 0.00 H new ATOM 0 HD3 LYS A 208 -16.676 -13.291 -44.606 1.00 0.00 H new ATOM 0 HE2 LYS A 208 -15.384 -13.560 -41.857 1.00 0.00 H new ATOM 0 HE3 LYS A 208 -15.339 -12.123 -42.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 208 -17.059 -11.937 -41.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 208 -17.774 -12.046 -42.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 208 -17.773 -13.393 -41.727 1.00 0.00 H new ATOM 646 N HIS A 209 -12.945 -16.136 -43.021 1.00 0.00 N ATOM 647 CA HIS A 209 -11.673 -15.520 -43.431 1.00 0.00 C ATOM 648 C HIS A 209 -10.880 -16.454 -44.346 1.00 0.00 C ATOM 649 O HIS A 209 -10.413 -16.016 -45.394 1.00 0.00 O ATOM 650 CB HIS A 209 -10.834 -15.099 -42.218 1.00 0.00 C ATOM 651 CG HIS A 209 -9.544 -14.412 -42.620 1.00 0.00 C ATOM 652 ND1 HIS A 209 -9.404 -13.056 -42.942 1.00 0.00 N ATOM 653 CD2 HIS A 209 -8.342 -15.035 -42.813 1.00 0.00 C ATOM 654 CE1 HIS A 209 -8.129 -12.900 -43.334 1.00 0.00 C ATOM 655 NE2 HIS A 209 -7.468 -14.070 -43.268 1.00 0.00 N ATOM 0 H HIS A 209 -13.011 -16.319 -42.020 1.00 0.00 H new ATOM 0 HA HIS A 209 -11.913 -14.618 -43.994 1.00 0.00 H new ATOM 0 HB2 HIS A 209 -11.420 -14.428 -41.590 1.00 0.00 H new ATOM 0 HB3 HIS A 209 -10.603 -15.978 -41.617 1.00 0.00 H new ATOM 0 HD2 HIS A 209 -8.121 -16.078 -42.643 1.00 0.00 H new ATOM 0 HE1 HIS A 209 -7.695 -11.965 -43.657 1.00 0.00 H new ATOM 0 HE2 HIS A 209 -6.489 -14.218 -43.512 1.00 0.00 H new ATOM 663 N ARG A 210 -10.772 -17.753 -44.013 1.00 0.00 N ATOM 664 CA ARG A 210 -10.096 -18.746 -44.878 1.00 0.00 C ATOM 665 C ARG A 210 -10.726 -18.778 -46.278 1.00 0.00 C ATOM 666 O ARG A 210 -10.005 -18.740 -47.277 1.00 0.00 O ATOM 667 CB ARG A 210 -10.112 -20.153 -44.244 1.00 0.00 C ATOM 668 CG ARG A 210 -8.958 -20.438 -43.269 1.00 0.00 C ATOM 669 CD ARG A 210 -9.007 -19.605 -41.982 1.00 0.00 C ATOM 670 NE ARG A 210 -8.030 -20.073 -40.983 1.00 0.00 N ATOM 671 CZ ARG A 210 -6.728 -19.838 -40.958 1.00 0.00 C ATOM 672 NH1 ARG A 210 -6.112 -19.137 -41.874 1.00 0.00 N ATOM 673 NH2 ARG A 210 -6.001 -20.317 -39.986 1.00 0.00 N ATOM 0 H ARG A 210 -11.145 -18.144 -43.148 1.00 0.00 H new ATOM 0 HA ARG A 210 -9.056 -18.436 -44.977 1.00 0.00 H new ATOM 0 HB2 ARG A 210 -11.056 -20.286 -43.715 1.00 0.00 H new ATOM 0 HB3 ARG A 210 -10.086 -20.895 -45.042 1.00 0.00 H new ATOM 0 HG2 ARG A 210 -8.972 -21.496 -43.006 1.00 0.00 H new ATOM 0 HG3 ARG A 210 -8.012 -20.248 -43.776 1.00 0.00 H new ATOM 0 HD2 ARG A 210 -8.810 -18.560 -42.219 1.00 0.00 H new ATOM 0 HD3 ARG A 210 -10.010 -19.652 -41.558 1.00 0.00 H new ATOM 0 HE ARG A 210 -8.400 -20.644 -40.223 1.00 0.00 H new ATOM 0 HH11 ARG A 210 -6.638 -18.743 -42.654 1.00 0.00 H new ATOM 0 HH12 ARG A 210 -5.106 -18.985 -41.809 1.00 0.00 H new ATOM 0 HH21 ARG A 210 -6.437 -20.871 -39.248 1.00 0.00 H new ATOM 0 HH22 ARG A 210 -4.997 -20.138 -39.964 1.00 0.00 H new ATOM 687 N LYS A 211 -12.063 -18.803 -46.359 1.00 0.00 N ATOM 688 CA LYS A 211 -12.818 -18.796 -47.624 1.00 0.00 C ATOM 689 C LYS A 211 -12.589 -17.507 -48.428 1.00 0.00 C ATOM 690 O LYS A 211 -12.271 -17.580 -49.613 1.00 0.00 O ATOM 691 CB LYS A 211 -14.313 -19.008 -47.325 1.00 0.00 C ATOM 692 CG LYS A 211 -15.116 -19.355 -48.595 1.00 0.00 C ATOM 693 CD LYS A 211 -16.531 -18.753 -48.600 1.00 0.00 C ATOM 694 CE LYS A 211 -16.535 -17.220 -48.716 1.00 0.00 C ATOM 695 NZ LYS A 211 -15.949 -16.760 -49.995 1.00 0.00 N ATOM 0 H LYS A 211 -12.663 -18.829 -45.534 1.00 0.00 H new ATOM 0 HA LYS A 211 -12.454 -19.614 -48.246 1.00 0.00 H new ATOM 0 HB2 LYS A 211 -14.426 -19.810 -46.595 1.00 0.00 H new ATOM 0 HB3 LYS A 211 -14.723 -18.105 -46.873 1.00 0.00 H new ATOM 0 HG2 LYS A 211 -14.573 -18.997 -49.470 1.00 0.00 H new ATOM 0 HG3 LYS A 211 -15.189 -20.439 -48.686 1.00 0.00 H new ATOM 0 HD2 LYS A 211 -17.096 -19.176 -49.431 1.00 0.00 H new ATOM 0 HD3 LYS A 211 -17.046 -19.043 -47.684 1.00 0.00 H new ATOM 0 HE2 LYS A 211 -17.558 -16.853 -48.633 1.00 0.00 H new ATOM 0 HE3 LYS A 211 -15.974 -16.792 -47.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 211 -15.893 -15.722 -49.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 211 -14.994 -17.159 -50.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 211 -16.547 -17.076 -50.785 1.00 0.00 H new ATOM 709 N GLN A 212 -12.724 -16.335 -47.804 1.00 0.00 N ATOM 710 CA GLN A 212 -12.513 -15.036 -48.461 1.00 0.00 C ATOM 711 C GLN A 212 -11.058 -14.833 -48.902 1.00 0.00 C ATOM 712 O GLN A 212 -10.817 -14.359 -50.011 1.00 0.00 O ATOM 713 CB GLN A 212 -12.944 -13.896 -47.524 1.00 0.00 C ATOM 714 CG GLN A 212 -14.465 -13.772 -47.345 1.00 0.00 C ATOM 715 CD GLN A 212 -15.155 -13.181 -48.573 1.00 0.00 C ATOM 716 OE1 GLN A 212 -15.409 -13.853 -49.564 1.00 0.00 O ATOM 717 NE2 GLN A 212 -15.492 -11.909 -48.562 1.00 0.00 N ATOM 0 H GLN A 212 -12.985 -16.256 -46.821 1.00 0.00 H new ATOM 0 HA GLN A 212 -13.128 -15.025 -49.361 1.00 0.00 H new ATOM 0 HB2 GLN A 212 -12.485 -14.050 -46.547 1.00 0.00 H new ATOM 0 HB3 GLN A 212 -12.557 -12.954 -47.913 1.00 0.00 H new ATOM 0 HG2 GLN A 212 -14.884 -14.756 -47.136 1.00 0.00 H new ATOM 0 HG3 GLN A 212 -14.675 -13.146 -46.478 1.00 0.00 H new ATOM 0 HE21 GLN A 212 -15.288 -11.334 -47.744 1.00 0.00 H new ATOM 0 HE22 GLN A 212 -15.957 -11.498 -49.371 1.00 0.00 H new ATOM 726 N GLU A 213 -10.083 -15.230 -48.080 1.00 0.00 N ATOM 727 CA GLU A 213 -8.658 -15.176 -48.418 1.00 0.00 C ATOM 728 C GLU A 213 -8.374 -16.059 -49.642 1.00 0.00 C ATOM 729 O GLU A 213 -7.693 -15.625 -50.570 1.00 0.00 O ATOM 730 CB GLU A 213 -7.831 -15.593 -47.190 1.00 0.00 C ATOM 731 CG GLU A 213 -6.317 -15.500 -47.406 1.00 0.00 C ATOM 732 CD GLU A 213 -5.571 -15.816 -46.102 1.00 0.00 C ATOM 733 OE1 GLU A 213 -5.400 -14.885 -45.277 1.00 0.00 O ATOM 734 OE2 GLU A 213 -5.177 -16.993 -45.920 1.00 0.00 O ATOM 0 H GLU A 213 -10.264 -15.603 -47.148 1.00 0.00 H new ATOM 0 HA GLU A 213 -8.370 -14.159 -48.685 1.00 0.00 H new ATOM 0 HB2 GLU A 213 -8.108 -14.962 -46.345 1.00 0.00 H new ATOM 0 HB3 GLU A 213 -8.088 -16.617 -46.921 1.00 0.00 H new ATOM 0 HG2 GLU A 213 -6.011 -16.197 -48.186 1.00 0.00 H new ATOM 0 HG3 GLU A 213 -6.053 -14.500 -47.751 1.00 0.00 H new ATOM 741 N THR A 214 -8.956 -17.265 -49.689 1.00 0.00 N ATOM 742 CA THR A 214 -8.851 -18.172 -50.845 1.00 0.00 C ATOM 743 C THR A 214 -9.500 -17.548 -52.085 1.00 0.00 C ATOM 744 O THR A 214 -8.884 -17.533 -53.151 1.00 0.00 O ATOM 745 CB THR A 214 -9.480 -19.545 -50.543 1.00 0.00 C ATOM 746 OG1 THR A 214 -8.845 -20.139 -49.430 1.00 0.00 O ATOM 747 CG2 THR A 214 -9.326 -20.534 -51.701 1.00 0.00 C ATOM 0 H THR A 214 -9.516 -17.642 -48.924 1.00 0.00 H new ATOM 0 HA THR A 214 -7.791 -18.326 -51.046 1.00 0.00 H new ATOM 0 HB THR A 214 -10.537 -19.352 -50.361 1.00 0.00 H new ATOM 0 HG1 THR A 214 -9.186 -19.735 -48.605 1.00 0.00 H new ATOM 0 HG21 THR A 214 -9.788 -21.484 -51.432 1.00 0.00 H new ATOM 0 HG22 THR A 214 -9.813 -20.133 -52.590 1.00 0.00 H new ATOM 0 HG23 THR A 214 -8.267 -20.691 -51.907 1.00 0.00 H new ATOM 755 N LYS A 215 -10.712 -16.979 -51.966 1.00 0.00 N ATOM 756 CA LYS A 215 -11.415 -16.308 -53.075 1.00 0.00 C ATOM 757 C LYS A 215 -10.580 -15.162 -53.650 1.00 0.00 C ATOM 758 O LYS A 215 -10.401 -15.079 -54.864 1.00 0.00 O ATOM 759 CB LYS A 215 -12.810 -15.862 -52.590 1.00 0.00 C ATOM 760 CG LYS A 215 -13.721 -15.287 -53.690 1.00 0.00 C ATOM 761 CD LYS A 215 -13.568 -13.769 -53.903 1.00 0.00 C ATOM 762 CE LYS A 215 -14.549 -13.239 -54.956 1.00 0.00 C ATOM 763 NZ LYS A 215 -14.217 -13.727 -56.312 1.00 0.00 N ATOM 0 H LYS A 215 -11.236 -16.971 -51.091 1.00 0.00 H new ATOM 0 HA LYS A 215 -11.556 -17.005 -53.901 1.00 0.00 H new ATOM 0 HB2 LYS A 215 -13.310 -16.715 -52.132 1.00 0.00 H new ATOM 0 HB3 LYS A 215 -12.685 -15.110 -51.811 1.00 0.00 H new ATOM 0 HG2 LYS A 215 -13.507 -15.798 -54.628 1.00 0.00 H new ATOM 0 HG3 LYS A 215 -14.759 -15.505 -53.438 1.00 0.00 H new ATOM 0 HD2 LYS A 215 -13.734 -13.251 -52.958 1.00 0.00 H new ATOM 0 HD3 LYS A 215 -12.547 -13.547 -54.213 1.00 0.00 H new ATOM 0 HE2 LYS A 215 -15.562 -13.547 -54.697 1.00 0.00 H new ATOM 0 HE3 LYS A 215 -14.536 -12.149 -54.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 215 -14.861 -13.294 -57.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 215 -13.236 -13.470 -56.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 215 -14.320 -14.761 -56.344 1.00 0.00 H new ATOM 777 N LEU A 216 -10.033 -14.303 -52.787 1.00 0.00 N ATOM 778 CA LEU A 216 -9.174 -13.182 -53.179 1.00 0.00 C ATOM 779 C LEU A 216 -7.866 -13.670 -53.824 1.00 0.00 C ATOM 780 O LEU A 216 -7.451 -13.118 -54.842 1.00 0.00 O ATOM 781 CB LEU A 216 -8.960 -12.278 -51.952 1.00 0.00 C ATOM 782 CG LEU A 216 -8.235 -10.953 -52.272 1.00 0.00 C ATOM 783 CD1 LEU A 216 -8.753 -9.843 -51.358 1.00 0.00 C ATOM 784 CD2 LEU A 216 -6.721 -11.053 -52.067 1.00 0.00 C ATOM 0 H LEU A 216 -10.177 -14.367 -51.779 1.00 0.00 H new ATOM 0 HA LEU A 216 -9.659 -12.588 -53.954 1.00 0.00 H new ATOM 0 HB2 LEU A 216 -9.928 -12.053 -51.505 1.00 0.00 H new ATOM 0 HB3 LEU A 216 -8.384 -12.825 -51.205 1.00 0.00 H new ATOM 0 HG LEU A 216 -8.436 -10.733 -53.320 1.00 0.00 H new ATOM 0 HD11 LEU A 216 -8.237 -8.911 -51.589 1.00 0.00 H new ATOM 0 HD12 LEU A 216 -9.824 -9.713 -51.514 1.00 0.00 H new ATOM 0 HD13 LEU A 216 -8.568 -10.112 -50.318 1.00 0.00 H new ATOM 0 HD21 LEU A 216 -6.258 -10.096 -52.305 1.00 0.00 H new ATOM 0 HD22 LEU A 216 -6.511 -11.310 -51.029 1.00 0.00 H new ATOM 0 HD23 LEU A 216 -6.316 -11.825 -52.721 1.00 0.00 H new ATOM 796 N LYS A 217 -7.238 -14.726 -53.285 1.00 0.00 N ATOM 797 CA LYS A 217 -6.021 -15.333 -53.851 1.00 0.00 C ATOM 798 C LYS A 217 -6.272 -15.857 -55.270 1.00 0.00 C ATOM 799 O LYS A 217 -5.486 -15.571 -56.172 1.00 0.00 O ATOM 800 CB LYS A 217 -5.505 -16.428 -52.901 1.00 0.00 C ATOM 801 CG LYS A 217 -4.124 -16.960 -53.311 1.00 0.00 C ATOM 802 CD LYS A 217 -3.609 -17.971 -52.274 1.00 0.00 C ATOM 803 CE LYS A 217 -2.208 -18.495 -52.616 1.00 0.00 C ATOM 804 NZ LYS A 217 -1.180 -17.438 -52.503 1.00 0.00 N ATOM 0 H LYS A 217 -7.563 -15.188 -52.436 1.00 0.00 H new ATOM 0 HA LYS A 217 -5.245 -14.573 -53.941 1.00 0.00 H new ATOM 0 HB2 LYS A 217 -5.451 -16.030 -51.888 1.00 0.00 H new ATOM 0 HB3 LYS A 217 -6.217 -17.253 -52.882 1.00 0.00 H new ATOM 0 HG2 LYS A 217 -4.186 -17.434 -54.291 1.00 0.00 H new ATOM 0 HG3 LYS A 217 -3.421 -16.132 -53.402 1.00 0.00 H new ATOM 0 HD2 LYS A 217 -3.588 -17.501 -51.291 1.00 0.00 H new ATOM 0 HD3 LYS A 217 -4.303 -18.809 -52.212 1.00 0.00 H new ATOM 0 HE2 LYS A 217 -1.956 -19.319 -51.949 1.00 0.00 H new ATOM 0 HE3 LYS A 217 -2.208 -18.895 -53.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 217 -0.237 -17.854 -52.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 217 -1.348 -16.711 -53.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 217 -1.231 -17.004 -51.559 1.00 0.00 H new ATOM 818 N LEU A 218 -7.386 -16.562 -55.494 1.00 0.00 N ATOM 819 CA LEU A 218 -7.791 -17.040 -56.823 1.00 0.00 C ATOM 820 C LEU A 218 -8.085 -15.859 -57.766 1.00 0.00 C ATOM 821 O LEU A 218 -7.630 -15.862 -58.909 1.00 0.00 O ATOM 822 CB LEU A 218 -9.004 -17.986 -56.700 1.00 0.00 C ATOM 823 CG LEU A 218 -8.625 -19.478 -56.624 1.00 0.00 C ATOM 824 CD1 LEU A 218 -7.741 -19.839 -55.429 1.00 0.00 C ATOM 825 CD2 LEU A 218 -9.896 -20.324 -56.540 1.00 0.00 C ATOM 0 H LEU A 218 -8.038 -16.820 -54.753 1.00 0.00 H new ATOM 0 HA LEU A 218 -6.967 -17.603 -57.260 1.00 0.00 H new ATOM 0 HB2 LEU A 218 -9.572 -17.719 -55.809 1.00 0.00 H new ATOM 0 HB3 LEU A 218 -9.662 -17.831 -57.555 1.00 0.00 H new ATOM 0 HG LEU A 218 -8.052 -19.683 -57.528 1.00 0.00 H new ATOM 0 HD11 LEU A 218 -7.520 -20.906 -55.449 1.00 0.00 H new ATOM 0 HD12 LEU A 218 -6.810 -19.275 -55.482 1.00 0.00 H new ATOM 0 HD13 LEU A 218 -8.262 -19.594 -54.504 1.00 0.00 H new ATOM 0 HD21 LEU A 218 -9.628 -21.379 -56.486 1.00 0.00 H new ATOM 0 HD22 LEU A 218 -10.459 -20.047 -55.649 1.00 0.00 H new ATOM 0 HD23 LEU A 218 -10.508 -20.150 -57.425 1.00 0.00 H new ATOM 837 N MET A 219 -8.789 -14.823 -57.296 1.00 0.00 N ATOM 838 CA MET A 219 -9.064 -13.612 -58.082 1.00 0.00 C ATOM 839 C MET A 219 -7.755 -12.937 -58.537 1.00 0.00 C ATOM 840 O MET A 219 -7.619 -12.569 -59.706 1.00 0.00 O ATOM 841 CB MET A 219 -9.948 -12.664 -57.257 1.00 0.00 C ATOM 842 CG MET A 219 -10.423 -11.450 -58.061 1.00 0.00 C ATOM 843 SD MET A 219 -11.531 -10.334 -57.151 1.00 0.00 S ATOM 844 CE MET A 219 -10.370 -9.605 -55.961 1.00 0.00 C ATOM 0 H MET A 219 -9.186 -14.800 -56.357 1.00 0.00 H new ATOM 0 HA MET A 219 -9.603 -13.882 -58.990 1.00 0.00 H new ATOM 0 HB2 MET A 219 -10.815 -13.212 -56.887 1.00 0.00 H new ATOM 0 HB3 MET A 219 -9.391 -12.322 -56.385 1.00 0.00 H new ATOM 0 HG2 MET A 219 -9.551 -10.886 -58.393 1.00 0.00 H new ATOM 0 HG3 MET A 219 -10.936 -11.801 -58.957 1.00 0.00 H new ATOM 0 HE1 MET A 219 -10.867 -8.807 -55.410 1.00 0.00 H new ATOM 0 HE2 MET A 219 -10.034 -10.372 -55.264 1.00 0.00 H new ATOM 0 HE3 MET A 219 -9.511 -9.197 -56.494 1.00 0.00 H new ATOM 854 N ALA A 220 -6.766 -12.827 -57.641 1.00 0.00 N ATOM 855 CA ALA A 220 -5.440 -12.286 -57.946 1.00 0.00 C ATOM 856 C ALA A 220 -4.671 -13.180 -58.943 1.00 0.00 C ATOM 857 O ALA A 220 -4.035 -12.663 -59.864 1.00 0.00 O ATOM 858 CB ALA A 220 -4.670 -12.106 -56.631 1.00 0.00 C ATOM 0 H ALA A 220 -6.869 -13.117 -56.668 1.00 0.00 H new ATOM 0 HA ALA A 220 -5.550 -11.318 -58.435 1.00 0.00 H new ATOM 0 HB1 ALA A 220 -3.679 -11.703 -56.842 1.00 0.00 H new ATOM 0 HB2 ALA A 220 -5.212 -11.416 -55.984 1.00 0.00 H new ATOM 0 HB3 ALA A 220 -4.571 -13.070 -56.132 1.00 0.00 H new ATOM 864 N ARG A 221 -4.759 -14.514 -58.799 1.00 0.00 N ATOM 865 CA ARG A 221 -4.140 -15.514 -59.694 1.00 0.00 C ATOM 866 C ARG A 221 -4.653 -15.391 -61.136 1.00 0.00 C ATOM 867 O ARG A 221 -3.863 -15.480 -62.077 1.00 0.00 O ATOM 868 CB ARG A 221 -4.399 -16.921 -59.120 1.00 0.00 C ATOM 869 CG ARG A 221 -3.611 -18.037 -59.825 1.00 0.00 C ATOM 870 CD ARG A 221 -4.059 -19.428 -59.351 1.00 0.00 C ATOM 871 NE ARG A 221 -3.835 -19.628 -57.906 1.00 0.00 N ATOM 872 CZ ARG A 221 -4.398 -20.555 -57.148 1.00 0.00 C ATOM 873 NH1 ARG A 221 -5.241 -21.438 -57.617 1.00 0.00 N ATOM 874 NH2 ARG A 221 -4.118 -20.616 -55.875 1.00 0.00 N ATOM 0 H ARG A 221 -5.279 -14.942 -58.033 1.00 0.00 H new ATOM 0 HA ARG A 221 -3.066 -15.332 -59.739 1.00 0.00 H new ATOM 0 HB2 ARG A 221 -4.143 -16.923 -58.060 1.00 0.00 H new ATOM 0 HB3 ARG A 221 -5.464 -17.141 -59.191 1.00 0.00 H new ATOM 0 HG2 ARG A 221 -3.750 -17.957 -60.903 1.00 0.00 H new ATOM 0 HG3 ARG A 221 -2.546 -17.911 -59.630 1.00 0.00 H new ATOM 0 HD2 ARG A 221 -5.118 -19.562 -59.574 1.00 0.00 H new ATOM 0 HD3 ARG A 221 -3.517 -20.191 -59.909 1.00 0.00 H new ATOM 0 HE ARG A 221 -3.184 -18.991 -57.448 1.00 0.00 H new ATOM 0 HH11 ARG A 221 -5.490 -21.431 -58.606 1.00 0.00 H new ATOM 0 HH12 ARG A 221 -5.650 -22.134 -56.994 1.00 0.00 H new ATOM 0 HH21 ARG A 221 -3.465 -19.949 -55.464 1.00 0.00 H new ATOM 0 HH22 ARG A 221 -4.552 -21.331 -55.291 1.00 0.00 H new ATOM 888 N TYR A 222 -5.958 -15.162 -61.309 1.00 0.00 N ATOM 889 CA TYR A 222 -6.596 -14.955 -62.619 1.00 0.00 C ATOM 890 C TYR A 222 -6.305 -13.566 -63.231 1.00 0.00 C ATOM 891 O TYR A 222 -6.461 -13.388 -64.442 1.00 0.00 O ATOM 892 CB TYR A 222 -8.112 -15.200 -62.506 1.00 0.00 C ATOM 893 CG TYR A 222 -8.517 -16.636 -62.792 1.00 0.00 C ATOM 894 CD1 TYR A 222 -8.724 -17.046 -64.125 1.00 0.00 C ATOM 895 CD2 TYR A 222 -8.681 -17.562 -61.744 1.00 0.00 C ATOM 896 CE1 TYR A 222 -9.098 -18.374 -64.410 1.00 0.00 C ATOM 897 CE2 TYR A 222 -9.053 -18.892 -62.024 1.00 0.00 C ATOM 898 CZ TYR A 222 -9.264 -19.302 -63.358 1.00 0.00 C ATOM 899 OH TYR A 222 -9.626 -20.588 -63.621 1.00 0.00 O ATOM 0 H TYR A 222 -6.615 -15.114 -60.531 1.00 0.00 H new ATOM 0 HA TYR A 222 -6.157 -15.679 -63.305 1.00 0.00 H new ATOM 0 HB2 TYR A 222 -8.442 -14.931 -61.502 1.00 0.00 H new ATOM 0 HB3 TYR A 222 -8.631 -14.539 -63.200 1.00 0.00 H new ATOM 0 HD1 TYR A 222 -8.595 -16.339 -64.931 1.00 0.00 H new ATOM 0 HD2 TYR A 222 -8.521 -17.252 -60.722 1.00 0.00 H new ATOM 0 HE1 TYR A 222 -9.258 -18.683 -65.433 1.00 0.00 H new ATOM 0 HE2 TYR A 222 -9.177 -19.599 -61.217 1.00 0.00 H new ATOM 0 HH TYR A 222 -9.693 -21.087 -62.780 1.00 0.00 H new ATOM 909 N GLY A 223 -5.864 -12.590 -62.428 1.00 0.00 N ATOM 910 CA GLY A 223 -5.504 -11.240 -62.881 1.00 0.00 C ATOM 911 C GLY A 223 -4.085 -11.157 -63.467 1.00 0.00 C ATOM 912 O GLY A 223 -3.273 -12.077 -63.318 1.00 0.00 O ATOM 0 H GLY A 223 -5.745 -12.719 -61.423 1.00 0.00 H new ATOM 0 HA2 GLY A 223 -6.221 -10.913 -63.634 1.00 0.00 H new ATOM 0 HA3 GLY A 223 -5.585 -10.549 -62.042 1.00 0.00 H new ATOM 916 N ARG A 224 -3.771 -10.044 -64.145 1.00 0.00 N ATOM 917 CA ARG A 224 -2.451 -9.803 -64.759 1.00 0.00 C ATOM 918 C ARG A 224 -1.368 -9.592 -63.689 1.00 0.00 C ATOM 919 O ARG A 224 -1.511 -8.730 -62.819 1.00 0.00 O ATOM 920 CB ARG A 224 -2.542 -8.605 -65.724 1.00 0.00 C ATOM 921 CG ARG A 224 -1.275 -8.467 -66.583 1.00 0.00 C ATOM 922 CD ARG A 224 -1.405 -7.309 -67.580 1.00 0.00 C ATOM 923 NE ARG A 224 -0.235 -7.232 -68.475 1.00 0.00 N ATOM 924 CZ ARG A 224 0.925 -6.645 -68.222 1.00 0.00 C ATOM 925 NH1 ARG A 224 1.180 -6.028 -67.097 1.00 0.00 N ATOM 926 NH2 ARG A 224 1.877 -6.666 -69.116 1.00 0.00 N ATOM 0 H ARG A 224 -4.429 -9.278 -64.286 1.00 0.00 H new ATOM 0 HA ARG A 224 -2.159 -10.685 -65.329 1.00 0.00 H new ATOM 0 HB2 ARG A 224 -3.410 -8.726 -66.373 1.00 0.00 H new ATOM 0 HB3 ARG A 224 -2.696 -7.689 -65.153 1.00 0.00 H new ATOM 0 HG2 ARG A 224 -0.412 -8.300 -65.939 1.00 0.00 H new ATOM 0 HG3 ARG A 224 -1.095 -9.397 -67.123 1.00 0.00 H new ATOM 0 HD2 ARG A 224 -2.310 -7.438 -68.173 1.00 0.00 H new ATOM 0 HD3 ARG A 224 -1.511 -6.370 -67.037 1.00 0.00 H new ATOM 0 HE ARG A 224 -0.329 -7.679 -69.387 1.00 0.00 H new ATOM 0 HH11 ARG A 224 0.469 -5.984 -66.367 1.00 0.00 H new ATOM 0 HH12 ARG A 224 2.090 -5.591 -66.950 1.00 0.00 H new ATOM 0 HH21 ARG A 224 1.727 -7.135 -70.010 1.00 0.00 H new ATOM 0 HH22 ARG A 224 2.770 -6.214 -68.921 1.00 0.00 H new ATOM 940 N LEU A 225 -0.286 -10.369 -63.769 1.00 0.00 N ATOM 941 CA LEU A 225 0.869 -10.326 -62.862 1.00 0.00 C ATOM 942 C LEU A 225 2.131 -10.843 -63.581 1.00 0.00 C ATOM 943 O LEU A 225 2.048 -11.793 -64.365 1.00 0.00 O ATOM 944 CB LEU A 225 0.537 -11.187 -61.622 1.00 0.00 C ATOM 945 CG LEU A 225 1.611 -11.210 -60.516 1.00 0.00 C ATOM 946 CD1 LEU A 225 1.845 -9.828 -59.898 1.00 0.00 C ATOM 947 CD2 LEU A 225 1.179 -12.158 -59.398 1.00 0.00 C ATOM 0 H LEU A 225 -0.184 -11.076 -64.497 1.00 0.00 H new ATOM 0 HA LEU A 225 1.072 -9.302 -62.549 1.00 0.00 H new ATOM 0 HB2 LEU A 225 -0.395 -10.824 -61.190 1.00 0.00 H new ATOM 0 HB3 LEU A 225 0.359 -12.211 -61.951 1.00 0.00 H new ATOM 0 HG LEU A 225 2.537 -11.543 -60.984 1.00 0.00 H new ATOM 0 HD11 LEU A 225 2.610 -9.900 -59.125 1.00 0.00 H new ATOM 0 HD12 LEU A 225 2.175 -9.135 -60.672 1.00 0.00 H new ATOM 0 HD13 LEU A 225 0.917 -9.465 -59.457 1.00 0.00 H new ATOM 0 HD21 LEU A 225 1.940 -12.172 -58.618 1.00 0.00 H new ATOM 0 HD22 LEU A 225 0.234 -11.816 -58.976 1.00 0.00 H new ATOM 0 HD23 LEU A 225 1.054 -13.163 -59.801 1.00 0.00 H new ATOM 959 N ALA A 226 3.290 -10.238 -63.290 1.00 0.00 N ATOM 960 CA ALA A 226 4.601 -10.577 -63.864 1.00 0.00 C ATOM 961 C ALA A 226 4.600 -10.681 -65.415 1.00 0.00 C ATOM 962 O ALA A 226 3.857 -9.966 -66.094 1.00 0.00 O ATOM 963 CB ALA A 226 5.144 -11.814 -63.124 1.00 0.00 C ATOM 0 H ALA A 226 3.343 -9.469 -62.622 1.00 0.00 H new ATOM 0 HA ALA A 226 5.296 -9.753 -63.700 1.00 0.00 H new ATOM 0 HB1 ALA A 226 6.117 -12.085 -63.533 1.00 0.00 H new ATOM 0 HB2 ALA A 226 5.247 -11.587 -62.063 1.00 0.00 H new ATOM 0 HB3 ALA A 226 4.453 -12.647 -63.251 1.00 0.00 H new ATOM 969 N ASP A 227 5.452 -11.539 -65.987 1.00 0.00 N ATOM 970 CA ASP A 227 5.602 -11.761 -67.435 1.00 0.00 C ATOM 971 C ASP A 227 5.985 -13.215 -67.770 1.00 0.00 C ATOM 972 O ASP A 227 6.673 -13.895 -66.994 1.00 0.00 O ATOM 973 CB ASP A 227 6.627 -10.771 -68.021 1.00 0.00 C ATOM 974 CG ASP A 227 8.066 -11.025 -67.550 1.00 0.00 C ATOM 975 OD1 ASP A 227 8.420 -10.551 -66.443 1.00 0.00 O ATOM 976 OD2 ASP A 227 8.821 -11.684 -68.306 1.00 0.00 O ATOM 0 H ASP A 227 6.082 -12.122 -65.435 1.00 0.00 H new ATOM 0 HA ASP A 227 4.631 -11.581 -67.896 1.00 0.00 H new ATOM 0 HB2 ASP A 227 6.594 -10.829 -69.109 1.00 0.00 H new ATOM 0 HB3 ASP A 227 6.338 -9.757 -67.747 1.00 0.00 H new TER 981 ASP A 227 HETATM 982 ZN ZN A 301 -10.672 -11.421 -42.946 1.00 0.00 ZN