USER MOD reduce.3.24.130724 H: found=0, std=0, add=357, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 349 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 Set 1.1: A 197 CYS SG : rot 123:sc= 0.646 USER MOD Set 1.2: A 206 CYS SG : rot 129:sc= 0.572 USER MOD Set 1.3: A 212 CYS SG : rot 123:sc= 0.61 USER MOD Set 1.4: A 216 HIS : no HD1:sc= -0.915 X(o=0.91,f=0.62) USER MOD Set 2.1: A 159 CYS SG : rot -158:sc= 0.33 USER MOD Set 2.2: A 168 CYS SG : rot 124:sc= 0.4 USER MOD Set 2.3: A 174 CYS SG : rot -175:sc= 0.429 USER MOD Set 2.4: A 178 HIS : no HD1:sc= -0.343 K(o=0.82,f=0.29) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 THR OG1 : rot 180:sc= 0 USER MOD Single : A 165 SER OG : rot 180:sc= 0 USER MOD Single : A 167 THR OG1 : rot 180:sc= 0 USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 170 TYR OH : rot 180:sc= 0 USER MOD Single : A 173 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 175 GLN : amide:sc= 0.901 K(o=0.9,f=-0.04) USER MOD Single : A 199 THR OG1 : rot 180:sc= 0.0234 USER MOD Single : A 201 HIS : no HD1:sc= 0.486 K(o=0.49,f=-1.6!) USER MOD Single : A 202 THR OG1 : rot 84:sc= 0.751 USER MOD Single : A 208 TYR OH : rot 180:sc= 0 USER MOD Single : A 213 HIS : no HD1:sc= -0.0184 X(o=-0.018,f=0) USER MOD ----------------------------------------------------------------- ATOM 73 N LYS A 155 2.520 8.743 2.745 1.00 0.00 N ATOM 74 CA LYS A 155 1.616 8.359 1.625 1.00 0.00 C ATOM 75 C LYS A 155 1.669 6.827 1.394 1.00 0.00 C ATOM 76 O LYS A 155 1.415 6.364 0.283 1.00 0.00 O ATOM 77 CB LYS A 155 2.036 9.109 0.331 1.00 0.00 C ATOM 78 CG LYS A 155 1.794 10.611 0.565 1.00 0.00 C ATOM 79 CD LYS A 155 1.756 11.455 -0.711 1.00 0.00 C ATOM 80 CE LYS A 155 1.255 12.857 -0.351 1.00 0.00 C ATOM 81 NZ LYS A 155 1.325 13.777 -1.504 1.00 0.00 N ATOM 0 HA LYS A 155 0.594 8.637 1.883 1.00 0.00 H new ATOM 0 HB2 LYS A 155 3.085 8.921 0.103 1.00 0.00 H new ATOM 0 HB3 LYS A 155 1.456 8.756 -0.522 1.00 0.00 H new ATOM 0 HG2 LYS A 155 0.850 10.735 1.096 1.00 0.00 H new ATOM 0 HG3 LYS A 155 2.579 10.995 1.216 1.00 0.00 H new ATOM 0 HD2 LYS A 155 2.748 11.511 -1.158 1.00 0.00 H new ATOM 0 HD3 LYS A 155 1.099 10.996 -1.450 1.00 0.00 H new ATOM 0 HE2 LYS A 155 0.226 12.796 0.003 1.00 0.00 H new ATOM 0 HE3 LYS A 155 1.851 13.256 0.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 0.978 14.715 -1.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 2.311 13.855 -1.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 0.736 13.409 -2.278 1.00 0.00 H new ATOM 95 N THR A 156 1.887 6.006 2.425 1.00 0.00 N ATOM 96 CA THR A 156 1.734 4.534 2.299 1.00 0.00 C ATOM 97 C THR A 156 0.278 4.144 2.580 1.00 0.00 C ATOM 98 O THR A 156 -0.126 3.016 2.292 1.00 0.00 O ATOM 99 CB THR A 156 2.661 3.824 3.307 1.00 0.00 C ATOM 100 OG1 THR A 156 2.396 4.169 4.651 1.00 0.00 O ATOM 101 CG2 THR A 156 4.123 4.114 2.977 1.00 0.00 C ATOM 0 H THR A 156 2.168 6.321 3.353 1.00 0.00 H new ATOM 0 HA THR A 156 2.004 4.231 1.287 1.00 0.00 H new ATOM 0 HB THR A 156 2.459 2.757 3.209 1.00 0.00 H new ATOM 0 HG1 THR A 156 3.013 3.687 5.240 1.00 0.00 H new ATOM 0 HG21 THR A 156 4.766 3.607 3.696 1.00 0.00 H new ATOM 0 HG22 THR A 156 4.348 3.754 1.973 1.00 0.00 H new ATOM 0 HG23 THR A 156 4.301 5.188 3.026 1.00 0.00 H new ATOM 109 N GLU A 157 -0.565 5.054 3.111 1.00 0.00 N ATOM 110 CA GLU A 157 -1.983 4.756 3.389 1.00 0.00 C ATOM 111 C GLU A 157 -2.866 5.905 2.856 1.00 0.00 C ATOM 112 O GLU A 157 -2.423 7.060 2.814 1.00 0.00 O ATOM 113 CB GLU A 157 -2.182 4.611 4.911 1.00 0.00 C ATOM 114 CG GLU A 157 -3.546 4.080 5.360 1.00 0.00 C ATOM 115 CD GLU A 157 -3.684 4.042 6.893 1.00 0.00 C ATOM 116 OE1 GLU A 157 -2.734 3.588 7.576 1.00 0.00 O ATOM 117 OE2 GLU A 157 -4.755 4.468 7.387 1.00 0.00 O ATOM 0 H GLU A 157 -0.286 6.004 3.356 1.00 0.00 H new ATOM 0 HA GLU A 157 -2.267 3.827 2.895 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -1.410 3.946 5.297 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -2.023 5.585 5.373 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -4.333 4.708 4.942 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -3.692 3.077 4.960 1.00 0.00 H new ATOM 124 N LEU A 158 -4.101 5.639 2.394 1.00 0.00 N ATOM 125 CA LEU A 158 -4.973 6.690 1.822 1.00 0.00 C ATOM 126 C LEU A 158 -5.321 7.730 2.898 1.00 0.00 C ATOM 127 O LEU A 158 -5.608 7.363 4.042 1.00 0.00 O ATOM 128 CB LEU A 158 -6.272 6.051 1.303 1.00 0.00 C ATOM 129 CG LEU A 158 -6.312 5.569 -0.151 1.00 0.00 C ATOM 130 CD1 LEU A 158 -7.710 4.972 -0.338 1.00 0.00 C ATOM 131 CD2 LEU A 158 -6.107 6.701 -1.171 1.00 0.00 C ATOM 0 H LEU A 158 -4.520 4.709 2.404 1.00 0.00 H new ATOM 0 HA LEU A 158 -4.446 7.180 1.003 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -6.502 5.199 1.943 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -7.075 6.776 1.436 1.00 0.00 H new ATOM 0 HG LEU A 158 -5.503 4.859 -0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -7.815 4.604 -1.359 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -7.850 4.148 0.361 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -8.461 5.739 -0.150 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -6.146 6.292 -2.181 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -6.893 7.446 -1.050 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -5.136 7.168 -1.006 1.00 0.00 H new ATOM 143 N CYS A 159 -5.447 9.016 2.552 1.00 0.00 N ATOM 144 CA CYS A 159 -5.983 10.018 3.467 1.00 0.00 C ATOM 145 C CYS A 159 -7.513 9.895 3.510 1.00 0.00 C ATOM 146 O CYS A 159 -8.200 10.353 2.586 1.00 0.00 O ATOM 147 CB CYS A 159 -5.590 11.414 2.977 1.00 0.00 C ATOM 148 SG CYS A 159 -6.086 12.713 4.145 1.00 0.00 S ATOM 0 H CYS A 159 -5.182 9.384 1.638 1.00 0.00 H new ATOM 0 HA CYS A 159 -5.578 9.860 4.467 1.00 0.00 H new ATOM 0 HB2 CYS A 159 -4.511 11.455 2.827 1.00 0.00 H new ATOM 0 HB3 CYS A 159 -6.054 11.602 2.009 1.00 0.00 H new ATOM 0 HG CYS A 159 -6.166 13.850 3.521 1.00 0.00 H new ATOM 153 N ARG A 160 -8.096 9.201 4.500 1.00 0.00 N ATOM 154 CA ARG A 160 -9.541 8.897 4.496 1.00 0.00 C ATOM 155 C ARG A 160 -10.363 10.205 4.647 1.00 0.00 C ATOM 156 O ARG A 160 -11.372 10.367 3.968 1.00 0.00 O ATOM 157 CB ARG A 160 -9.873 7.943 5.646 1.00 0.00 C ATOM 158 CG ARG A 160 -9.175 6.588 5.451 1.00 0.00 C ATOM 159 CD ARG A 160 -9.427 5.632 6.624 1.00 0.00 C ATOM 160 NE ARG A 160 -10.855 5.286 6.773 1.00 0.00 N ATOM 161 CZ ARG A 160 -11.532 4.372 6.097 1.00 0.00 C ATOM 162 NH1 ARG A 160 -10.989 3.627 5.169 1.00 0.00 N ATOM 163 NH2 ARG A 160 -12.800 4.181 6.343 1.00 0.00 N ATOM 0 H ARG A 160 -7.594 8.840 5.311 1.00 0.00 H new ATOM 0 HA ARG A 160 -9.799 8.424 3.549 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -9.561 8.385 6.592 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -10.952 7.797 5.703 1.00 0.00 H new ATOM 0 HG2 ARG A 160 -9.528 6.129 4.528 1.00 0.00 H new ATOM 0 HG3 ARG A 160 -8.103 6.747 5.338 1.00 0.00 H new ATOM 0 HD2 ARG A 160 -8.849 4.720 6.476 1.00 0.00 H new ATOM 0 HD3 ARG A 160 -9.069 6.090 7.546 1.00 0.00 H new ATOM 0 HE ARG A 160 -11.377 5.810 7.475 1.00 0.00 H new ATOM 0 HH11 ARG A 160 -10.001 3.738 4.939 1.00 0.00 H new ATOM 0 HH12 ARG A 160 -11.553 2.935 4.675 1.00 0.00 H new ATOM 0 HH21 ARG A 160 -13.270 4.737 7.057 1.00 0.00 H new ATOM 0 HH22 ARG A 160 -13.320 3.476 5.821 1.00 0.00 H new ATOM 177 N PRO A 161 -9.951 11.188 5.494 1.00 0.00 N ATOM 178 CA PRO A 161 -10.664 12.473 5.605 1.00 0.00 C ATOM 179 C PRO A 161 -10.794 13.122 4.210 1.00 0.00 C ATOM 180 O PRO A 161 -11.861 13.646 3.869 1.00 0.00 O ATOM 181 CB PRO A 161 -9.880 13.403 6.534 1.00 0.00 C ATOM 182 CG PRO A 161 -9.106 12.399 7.384 1.00 0.00 C ATOM 183 CD PRO A 161 -8.828 11.238 6.423 1.00 0.00 C ATOM 0 HA PRO A 161 -11.661 12.302 6.011 1.00 0.00 H new ATOM 0 HB2 PRO A 161 -9.218 14.071 5.983 1.00 0.00 H new ATOM 0 HB3 PRO A 161 -10.537 14.031 7.136 1.00 0.00 H new ATOM 0 HG2 PRO A 161 -8.181 12.830 7.768 1.00 0.00 H new ATOM 0 HG3 PRO A 161 -9.688 12.073 8.246 1.00 0.00 H new ATOM 0 HD2 PRO A 161 -7.890 11.393 5.889 1.00 0.00 H new ATOM 0 HD3 PRO A 161 -8.733 10.298 6.967 1.00 0.00 H new ATOM 191 N PHE A 162 -9.757 13.080 3.354 1.00 0.00 N ATOM 192 CA PHE A 162 -9.831 13.666 2.009 1.00 0.00 C ATOM 193 C PHE A 162 -10.756 12.815 1.119 1.00 0.00 C ATOM 194 O PHE A 162 -11.553 13.363 0.362 1.00 0.00 O ATOM 195 CB PHE A 162 -8.425 13.712 1.393 1.00 0.00 C ATOM 196 CG PHE A 162 -8.373 14.432 0.059 1.00 0.00 C ATOM 197 CD1 PHE A 162 -8.356 15.840 0.023 1.00 0.00 C ATOM 198 CD2 PHE A 162 -8.363 13.704 -1.147 1.00 0.00 C ATOM 199 CE1 PHE A 162 -8.326 16.517 -1.210 1.00 0.00 C ATOM 200 CE2 PHE A 162 -8.333 14.382 -2.380 1.00 0.00 C ATOM 201 CZ PHE A 162 -8.312 15.787 -2.412 1.00 0.00 C ATOM 0 H PHE A 162 -8.860 12.646 3.572 1.00 0.00 H new ATOM 0 HA PHE A 162 -10.232 14.677 2.079 1.00 0.00 H new ATOM 0 HB2 PHE A 162 -7.747 14.205 2.090 1.00 0.00 H new ATOM 0 HB3 PHE A 162 -8.061 12.693 1.262 1.00 0.00 H new ATOM 0 HD1 PHE A 162 -8.366 16.402 0.945 1.00 0.00 H new ATOM 0 HD2 PHE A 162 -8.378 12.624 -1.125 1.00 0.00 H new ATOM 0 HE1 PHE A 162 -8.314 17.597 -1.233 1.00 0.00 H new ATOM 0 HE2 PHE A 162 -8.326 13.822 -3.303 1.00 0.00 H new ATOM 0 HZ PHE A 162 -8.285 16.306 -3.359 1.00 0.00 H new ATOM 211 N GLU A 163 -10.695 11.483 1.173 1.00 0.00 N ATOM 212 CA GLU A 163 -11.571 10.627 0.347 1.00 0.00 C ATOM 213 C GLU A 163 -13.046 10.789 0.805 1.00 0.00 C ATOM 214 O GLU A 163 -13.963 10.624 -0.004 1.00 0.00 O ATOM 215 CB GLU A 163 -11.144 9.156 0.502 1.00 0.00 C ATOM 216 CG GLU A 163 -9.816 8.817 -0.199 1.00 0.00 C ATOM 217 CD GLU A 163 -9.839 9.076 -1.714 1.00 0.00 C ATOM 218 OE1 GLU A 163 -10.908 8.878 -2.341 1.00 0.00 O ATOM 219 OE2 GLU A 163 -8.783 9.487 -2.251 1.00 0.00 O ATOM 0 H GLU A 163 -10.053 10.968 1.776 1.00 0.00 H new ATOM 0 HA GLU A 163 -11.484 10.924 -0.698 1.00 0.00 H new ATOM 0 HB2 GLU A 163 -11.054 8.924 1.563 1.00 0.00 H new ATOM 0 HB3 GLU A 163 -11.929 8.515 0.101 1.00 0.00 H new ATOM 0 HG2 GLU A 163 -9.016 9.406 0.250 1.00 0.00 H new ATOM 0 HG3 GLU A 163 -9.578 7.768 -0.021 1.00 0.00 H new ATOM 226 N GLU A 164 -13.319 11.078 2.084 1.00 0.00 N ATOM 227 CA GLU A 164 -14.701 11.137 2.597 1.00 0.00 C ATOM 228 C GLU A 164 -15.312 12.528 2.316 1.00 0.00 C ATOM 229 O GLU A 164 -16.483 12.618 1.935 1.00 0.00 O ATOM 230 CB GLU A 164 -14.694 10.880 4.113 1.00 0.00 C ATOM 231 CG GLU A 164 -14.477 9.398 4.456 1.00 0.00 C ATOM 232 CD GLU A 164 -14.321 9.204 5.969 1.00 0.00 C ATOM 233 OE1 GLU A 164 -13.172 9.292 6.465 1.00 0.00 O ATOM 234 OE2 GLU A 164 -15.355 8.967 6.642 1.00 0.00 O ATOM 0 H GLU A 164 -12.604 11.275 2.785 1.00 0.00 H new ATOM 0 HA GLU A 164 -15.300 10.376 2.096 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -13.907 11.476 4.576 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -15.640 11.214 4.540 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -15.321 8.810 4.095 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -13.588 9.028 3.944 1.00 0.00 H new ATOM 241 N SER A 165 -14.592 13.638 2.556 1.00 0.00 N ATOM 242 CA SER A 165 -15.206 14.999 2.511 1.00 0.00 C ATOM 243 C SER A 165 -14.524 15.861 1.425 1.00 0.00 C ATOM 244 O SER A 165 -14.970 16.978 1.159 1.00 0.00 O ATOM 245 CB SER A 165 -15.041 15.677 3.881 1.00 0.00 C ATOM 246 OG SER A 165 -15.693 14.942 4.906 1.00 0.00 O ATOM 0 H SER A 165 -13.597 13.633 2.781 1.00 0.00 H new ATOM 0 HA SER A 165 -16.265 14.902 2.270 1.00 0.00 H new ATOM 0 HB2 SER A 165 -13.981 15.771 4.117 1.00 0.00 H new ATOM 0 HB3 SER A 165 -15.449 16.687 3.840 1.00 0.00 H new ATOM 0 HG SER A 165 -15.569 15.397 5.765 1.00 0.00 H new ATOM 252 N GLY A 166 -13.465 15.384 0.753 1.00 0.00 N ATOM 253 CA GLY A 166 -12.833 16.138 -0.353 1.00 0.00 C ATOM 254 C GLY A 166 -11.963 17.282 0.215 1.00 0.00 C ATOM 255 O GLY A 166 -11.513 18.145 -0.544 1.00 0.00 O ATOM 0 H GLY A 166 -13.026 14.485 0.951 1.00 0.00 H new ATOM 0 HA2 GLY A 166 -12.219 15.469 -0.956 1.00 0.00 H new ATOM 0 HA3 GLY A 166 -13.600 16.546 -1.011 1.00 0.00 H new ATOM 259 N THR A 167 -11.722 17.350 1.536 1.00 0.00 N ATOM 260 CA THR A 167 -10.928 18.448 2.137 1.00 0.00 C ATOM 261 C THR A 167 -9.963 17.875 3.175 1.00 0.00 C ATOM 262 O THR A 167 -10.265 16.852 3.801 1.00 0.00 O ATOM 263 CB THR A 167 -11.880 19.457 2.818 1.00 0.00 C ATOM 264 OG1 THR A 167 -11.146 20.579 3.262 1.00 0.00 O ATOM 265 CG2 THR A 167 -12.666 18.912 4.016 1.00 0.00 C ATOM 0 H THR A 167 -12.062 16.663 2.209 1.00 0.00 H new ATOM 0 HA THR A 167 -10.359 18.954 1.357 1.00 0.00 H new ATOM 0 HB THR A 167 -12.611 19.708 2.049 1.00 0.00 H new ATOM 0 HG1 THR A 167 -11.753 21.218 3.692 1.00 0.00 H new ATOM 0 HG21 THR A 167 -13.303 19.698 4.421 1.00 0.00 H new ATOM 0 HG22 THR A 167 -13.284 18.073 3.695 1.00 0.00 H new ATOM 0 HG23 THR A 167 -11.970 18.577 4.785 1.00 0.00 H new ATOM 273 N CYS A 168 -8.796 18.493 3.412 1.00 0.00 N ATOM 274 CA CYS A 168 -7.858 18.022 4.431 1.00 0.00 C ATOM 275 C CYS A 168 -7.161 19.229 5.079 1.00 0.00 C ATOM 276 O CYS A 168 -6.579 20.062 4.373 1.00 0.00 O ATOM 277 CB CYS A 168 -6.812 17.112 3.779 1.00 0.00 C ATOM 278 SG CYS A 168 -5.793 16.372 5.081 1.00 0.00 S ATOM 0 H CYS A 168 -8.483 19.322 2.908 1.00 0.00 H new ATOM 0 HA CYS A 168 -8.398 17.462 5.195 1.00 0.00 H new ATOM 0 HB2 CYS A 168 -7.301 16.333 3.194 1.00 0.00 H new ATOM 0 HB3 CYS A 168 -6.189 17.684 3.091 1.00 0.00 H new ATOM 0 HG CYS A 168 -5.837 15.076 4.983 1.00 0.00 H new ATOM 283 N LYS A 169 -7.213 19.390 6.407 1.00 0.00 N ATOM 284 CA LYS A 169 -6.641 20.581 7.080 1.00 0.00 C ATOM 285 C LYS A 169 -5.106 20.546 6.997 1.00 0.00 C ATOM 286 O LYS A 169 -4.455 21.563 7.245 1.00 0.00 O ATOM 287 CB LYS A 169 -7.071 20.591 8.556 1.00 0.00 C ATOM 288 CG LYS A 169 -8.594 20.554 8.771 1.00 0.00 C ATOM 289 CD LYS A 169 -8.965 20.530 10.262 1.00 0.00 C ATOM 290 CE LYS A 169 -8.505 19.237 10.951 1.00 0.00 C ATOM 291 NZ LYS A 169 -8.932 19.210 12.365 1.00 0.00 N ATOM 0 H LYS A 169 -7.642 18.717 7.042 1.00 0.00 H new ATOM 0 HA LYS A 169 -7.006 21.480 6.584 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -6.624 19.733 9.059 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -6.670 21.485 9.033 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -9.048 21.425 8.299 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -9.008 19.673 8.280 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -8.513 21.387 10.761 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -10.045 20.632 10.368 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -8.917 18.375 10.426 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -7.420 19.156 10.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -8.609 18.326 12.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -8.519 20.021 12.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -9.969 19.264 12.415 1.00 0.00 H new ATOM 305 N TYR A 170 -4.480 19.417 6.656 1.00 0.00 N ATOM 306 CA TYR A 170 -3.016 19.339 6.553 1.00 0.00 C ATOM 307 C TYR A 170 -2.568 19.800 5.144 1.00 0.00 C ATOM 308 O TYR A 170 -1.415 20.207 4.966 1.00 0.00 O ATOM 309 CB TYR A 170 -2.564 17.897 6.792 1.00 0.00 C ATOM 310 CG TYR A 170 -2.615 17.479 8.253 1.00 0.00 C ATOM 311 CD1 TYR A 170 -3.850 17.227 8.885 1.00 0.00 C ATOM 312 CD2 TYR A 170 -1.420 17.373 8.991 1.00 0.00 C ATOM 313 CE1 TYR A 170 -3.895 16.902 10.255 1.00 0.00 C ATOM 314 CE2 TYR A 170 -1.461 17.032 10.357 1.00 0.00 C ATOM 315 CZ TYR A 170 -2.697 16.802 10.995 1.00 0.00 C ATOM 316 OH TYR A 170 -2.730 16.488 12.320 1.00 0.00 O ATOM 0 H TYR A 170 -4.962 18.543 6.446 1.00 0.00 H new ATOM 0 HA TYR A 170 -2.565 19.988 7.303 1.00 0.00 H new ATOM 0 HB2 TYR A 170 -3.194 17.226 6.208 1.00 0.00 H new ATOM 0 HB3 TYR A 170 -1.545 17.778 6.424 1.00 0.00 H new ATOM 0 HD1 TYR A 170 -4.766 17.283 8.316 1.00 0.00 H new ATOM 0 HD2 TYR A 170 -0.471 17.553 8.509 1.00 0.00 H new ATOM 0 HE1 TYR A 170 -4.845 16.730 10.739 1.00 0.00 H new ATOM 0 HE2 TYR A 170 -0.542 16.946 10.918 1.00 0.00 H new ATOM 0 HH TYR A 170 -1.816 16.461 12.673 1.00 0.00 H new ATOM 326 N GLY A 171 -3.456 19.822 4.135 1.00 0.00 N ATOM 327 CA GLY A 171 -3.133 20.396 2.816 1.00 0.00 C ATOM 328 C GLY A 171 -1.944 19.650 2.188 1.00 0.00 C ATOM 329 O GLY A 171 -1.884 18.420 2.245 1.00 0.00 O ATOM 0 H GLY A 171 -4.403 19.449 4.207 1.00 0.00 H new ATOM 0 HA2 GLY A 171 -4.001 20.329 2.160 1.00 0.00 H new ATOM 0 HA3 GLY A 171 -2.893 21.454 2.921 1.00 0.00 H new ATOM 333 N GLU A 172 -0.992 20.343 1.550 1.00 0.00 N ATOM 334 CA GLU A 172 0.142 19.684 0.860 1.00 0.00 C ATOM 335 C GLU A 172 1.111 19.074 1.896 1.00 0.00 C ATOM 336 O GLU A 172 2.035 18.346 1.520 1.00 0.00 O ATOM 337 CB GLU A 172 0.895 20.725 0.008 1.00 0.00 C ATOM 338 CG GLU A 172 0.179 21.112 -1.297 1.00 0.00 C ATOM 339 CD GLU A 172 -1.163 21.831 -1.087 1.00 0.00 C ATOM 340 OE1 GLU A 172 -1.188 22.830 -0.327 1.00 0.00 O ATOM 341 OE2 GLU A 172 -2.174 21.376 -1.675 1.00 0.00 O ATOM 0 H GLU A 172 -0.978 21.361 1.493 1.00 0.00 H new ATOM 0 HA GLU A 172 -0.242 18.890 0.220 1.00 0.00 H new ATOM 0 HB2 GLU A 172 1.048 21.624 0.605 1.00 0.00 H new ATOM 0 HB3 GLU A 172 1.882 20.332 -0.236 1.00 0.00 H new ATOM 0 HG2 GLU A 172 0.836 21.755 -1.882 1.00 0.00 H new ATOM 0 HG3 GLU A 172 0.008 20.211 -1.886 1.00 0.00 H new ATOM 348 N LYS A 173 0.935 19.318 3.207 1.00 0.00 N ATOM 349 CA LYS A 173 1.826 18.750 4.239 1.00 0.00 C ATOM 350 C LYS A 173 1.181 17.487 4.850 1.00 0.00 C ATOM 351 O LYS A 173 1.754 16.882 5.759 1.00 0.00 O ATOM 352 CB LYS A 173 2.067 19.799 5.342 1.00 0.00 C ATOM 353 CG LYS A 173 3.283 19.468 6.231 1.00 0.00 C ATOM 354 CD LYS A 173 4.107 20.706 6.615 1.00 0.00 C ATOM 355 CE LYS A 173 3.277 21.726 7.398 1.00 0.00 C ATOM 356 NZ LYS A 173 4.078 22.921 7.735 1.00 0.00 N ATOM 0 H LYS A 173 0.186 19.903 3.578 1.00 0.00 H new ATOM 0 HA LYS A 173 2.778 18.478 3.784 1.00 0.00 H new ATOM 0 HB2 LYS A 173 2.216 20.776 4.881 1.00 0.00 H new ATOM 0 HB3 LYS A 173 1.177 19.873 5.966 1.00 0.00 H new ATOM 0 HG2 LYS A 173 2.937 18.974 7.139 1.00 0.00 H new ATOM 0 HG3 LYS A 173 3.926 18.760 5.708 1.00 0.00 H new ATOM 0 HD2 LYS A 173 4.964 20.399 7.214 1.00 0.00 H new ATOM 0 HD3 LYS A 173 4.500 21.174 5.713 1.00 0.00 H new ATOM 0 HE2 LYS A 173 2.409 22.021 6.809 1.00 0.00 H new ATOM 0 HE3 LYS A 173 2.901 21.267 8.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 173 3.490 23.595 8.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 173 4.893 22.640 8.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 173 4.416 23.370 6.860 1.00 0.00 H new ATOM 370 N CYS A 174 0.023 17.020 4.354 1.00 0.00 N ATOM 371 CA CYS A 174 -0.595 15.791 4.853 1.00 0.00 C ATOM 372 C CYS A 174 0.339 14.597 4.589 1.00 0.00 C ATOM 373 O CYS A 174 0.839 14.435 3.469 1.00 0.00 O ATOM 374 CB CYS A 174 -1.929 15.568 4.141 1.00 0.00 C ATOM 375 SG CYS A 174 -2.777 14.191 4.959 1.00 0.00 S ATOM 0 H CYS A 174 -0.500 17.479 3.608 1.00 0.00 H new ATOM 0 HA CYS A 174 -0.767 15.881 5.926 1.00 0.00 H new ATOM 0 HB2 CYS A 174 -2.539 16.470 4.183 1.00 0.00 H new ATOM 0 HB3 CYS A 174 -1.766 15.343 3.087 1.00 0.00 H new ATOM 0 HG CYS A 174 -3.864 13.902 4.307 1.00 0.00 H new ATOM 380 N GLN A 175 0.633 13.760 5.585 1.00 0.00 N ATOM 381 CA GLN A 175 1.559 12.639 5.416 1.00 0.00 C ATOM 382 C GLN A 175 0.809 11.421 4.821 1.00 0.00 C ATOM 383 O GLN A 175 1.376 10.333 4.742 1.00 0.00 O ATOM 384 CB GLN A 175 2.153 12.260 6.784 1.00 0.00 C ATOM 385 CG GLN A 175 2.893 13.416 7.483 1.00 0.00 C ATOM 386 CD GLN A 175 4.075 13.948 6.674 1.00 0.00 C ATOM 387 OE1 GLN A 175 5.130 13.332 6.589 1.00 0.00 O ATOM 388 NE2 GLN A 175 3.965 15.102 6.051 1.00 0.00 N ATOM 0 H GLN A 175 0.240 13.838 6.523 1.00 0.00 H new ATOM 0 HA GLN A 175 2.360 12.931 4.736 1.00 0.00 H new ATOM 0 HB2 GLN A 175 1.351 11.909 7.433 1.00 0.00 H new ATOM 0 HB3 GLN A 175 2.843 11.427 6.652 1.00 0.00 H new ATOM 0 HG2 GLN A 175 2.191 14.229 7.668 1.00 0.00 H new ATOM 0 HG3 GLN A 175 3.250 13.076 8.455 1.00 0.00 H new ATOM 0 HE21 GLN A 175 3.095 15.632 6.108 1.00 0.00 H new ATOM 0 HE22 GLN A 175 4.750 15.467 5.511 1.00 0.00 H new ATOM 397 N PHE A 176 -0.457 11.556 4.387 1.00 0.00 N ATOM 398 CA PHE A 176 -1.223 10.422 3.818 1.00 0.00 C ATOM 399 C PHE A 176 -1.545 10.703 2.336 1.00 0.00 C ATOM 400 O PHE A 176 -1.417 11.842 1.880 1.00 0.00 O ATOM 401 CB PHE A 176 -2.530 10.243 4.606 1.00 0.00 C ATOM 402 CG PHE A 176 -2.354 9.669 6.001 1.00 0.00 C ATOM 403 CD1 PHE A 176 -1.961 10.488 7.079 1.00 0.00 C ATOM 404 CD2 PHE A 176 -2.586 8.300 6.223 1.00 0.00 C ATOM 405 CE1 PHE A 176 -1.806 9.940 8.366 1.00 0.00 C ATOM 406 CE2 PHE A 176 -2.419 7.748 7.505 1.00 0.00 C ATOM 407 CZ PHE A 176 -2.040 8.570 8.578 1.00 0.00 C ATOM 0 H PHE A 176 -0.974 12.435 4.417 1.00 0.00 H new ATOM 0 HA PHE A 176 -0.628 9.511 3.888 1.00 0.00 H new ATOM 0 HB2 PHE A 176 -3.026 11.210 4.685 1.00 0.00 H new ATOM 0 HB3 PHE A 176 -3.194 9.590 4.040 1.00 0.00 H new ATOM 0 HD1 PHE A 176 -1.778 11.540 6.917 1.00 0.00 H new ATOM 0 HD2 PHE A 176 -2.895 7.668 5.403 1.00 0.00 H new ATOM 0 HE1 PHE A 176 -1.508 10.571 9.190 1.00 0.00 H new ATOM 0 HE2 PHE A 176 -2.582 6.692 7.664 1.00 0.00 H new ATOM 0 HZ PHE A 176 -1.928 8.150 9.567 1.00 0.00 H new ATOM 417 N ALA A 177 -1.898 9.695 1.533 1.00 0.00 N ATOM 418 CA ALA A 177 -2.061 9.869 0.083 1.00 0.00 C ATOM 419 C ALA A 177 -3.410 10.558 -0.214 1.00 0.00 C ATOM 420 O ALA A 177 -4.467 9.975 0.038 1.00 0.00 O ATOM 421 CB ALA A 177 -2.027 8.497 -0.600 1.00 0.00 C ATOM 0 H ALA A 177 -2.077 8.746 1.862 1.00 0.00 H new ATOM 0 HA ALA A 177 -1.250 10.490 -0.299 1.00 0.00 H new ATOM 0 HB1 ALA A 177 -2.148 8.623 -1.676 1.00 0.00 H new ATOM 0 HB2 ALA A 177 -1.072 8.013 -0.396 1.00 0.00 H new ATOM 0 HB3 ALA A 177 -2.837 7.878 -0.214 1.00 0.00 H new ATOM 427 N HIS A 178 -3.428 11.752 -0.823 1.00 0.00 N ATOM 428 CA HIS A 178 -4.682 12.368 -1.291 1.00 0.00 C ATOM 429 C HIS A 178 -5.087 11.754 -2.645 1.00 0.00 C ATOM 430 O HIS A 178 -6.278 11.668 -2.948 1.00 0.00 O ATOM 431 CB HIS A 178 -4.481 13.886 -1.452 1.00 0.00 C ATOM 432 CG HIS A 178 -4.398 14.651 -0.148 1.00 0.00 C ATOM 433 ND1 HIS A 178 -4.238 16.014 -0.010 1.00 0.00 N ATOM 434 CD2 HIS A 178 -4.555 14.134 1.108 1.00 0.00 C ATOM 435 CE1 HIS A 178 -4.308 16.303 1.304 1.00 0.00 C ATOM 436 NE2 HIS A 178 -4.516 15.188 2.018 1.00 0.00 N ATOM 0 H HIS A 178 -2.593 12.310 -1.003 1.00 0.00 H new ATOM 0 HA HIS A 178 -5.470 12.182 -0.561 1.00 0.00 H new ATOM 0 HB2 HIS A 178 -3.567 14.060 -2.019 1.00 0.00 H new ATOM 0 HB3 HIS A 178 -5.304 14.288 -2.042 1.00 0.00 H new ATOM 0 HD2 HIS A 178 -4.686 13.090 1.352 1.00 0.00 H new ATOM 0 HE1 HIS A 178 -4.210 17.294 1.723 1.00 0.00 H new ATOM 0 HE2 HIS A 178 -4.625 15.124 3.030 1.00 0.00 H new ATOM 444 N GLY A 179 -4.144 11.279 -3.472 1.00 0.00 N ATOM 445 CA GLY A 179 -4.479 10.608 -4.739 1.00 0.00 C ATOM 446 C GLY A 179 -4.172 9.114 -4.627 1.00 0.00 C ATOM 447 O GLY A 179 -3.140 8.736 -4.068 1.00 0.00 O ATOM 0 H GLY A 179 -3.143 11.347 -3.287 1.00 0.00 H new ATOM 0 HA2 GLY A 179 -5.533 10.756 -4.973 1.00 0.00 H new ATOM 0 HA3 GLY A 179 -3.907 11.047 -5.557 1.00 0.00 H new ATOM 724 N GLU A 195 3.434 -16.302 10.728 1.00 0.00 N ATOM 725 CA GLU A 195 2.902 -16.970 11.930 1.00 0.00 C ATOM 726 C GLU A 195 1.502 -16.412 12.258 1.00 0.00 C ATOM 727 O GLU A 195 1.204 -15.257 11.934 1.00 0.00 O ATOM 728 CB GLU A 195 3.849 -16.716 13.117 1.00 0.00 C ATOM 729 CG GLU A 195 5.206 -17.427 12.974 1.00 0.00 C ATOM 730 CD GLU A 195 5.109 -18.961 12.997 1.00 0.00 C ATOM 731 OE1 GLU A 195 4.180 -19.499 13.648 1.00 0.00 O ATOM 732 OE2 GLU A 195 5.979 -19.610 12.367 1.00 0.00 O ATOM 0 HA GLU A 195 2.827 -18.042 11.746 1.00 0.00 H new ATOM 0 HB2 GLU A 195 4.017 -15.644 13.216 1.00 0.00 H new ATOM 0 HB3 GLU A 195 3.367 -17.049 14.036 1.00 0.00 H new ATOM 0 HG2 GLU A 195 5.672 -17.116 12.039 1.00 0.00 H new ATOM 0 HG3 GLU A 195 5.863 -17.102 13.781 1.00 0.00 H new ATOM 739 N LEU A 196 0.607 -17.189 12.887 1.00 0.00 N ATOM 740 CA LEU A 196 -0.757 -16.720 13.205 1.00 0.00 C ATOM 741 C LEU A 196 -0.691 -15.593 14.248 1.00 0.00 C ATOM 742 O LEU A 196 0.007 -15.726 15.260 1.00 0.00 O ATOM 743 CB LEU A 196 -1.586 -17.894 13.767 1.00 0.00 C ATOM 744 CG LEU A 196 -1.753 -19.107 12.828 1.00 0.00 C ATOM 745 CD1 LEU A 196 -2.635 -20.157 13.506 1.00 0.00 C ATOM 746 CD2 LEU A 196 -2.383 -18.742 11.483 1.00 0.00 C ATOM 0 H LEU A 196 0.800 -18.145 13.187 1.00 0.00 H new ATOM 0 HA LEU A 196 -1.228 -16.342 12.298 1.00 0.00 H new ATOM 0 HB2 LEU A 196 -1.119 -18.235 14.691 1.00 0.00 H new ATOM 0 HB3 LEU A 196 -2.576 -17.522 14.029 1.00 0.00 H new ATOM 0 HG LEU A 196 -0.752 -19.492 12.632 1.00 0.00 H new ATOM 0 HD11 LEU A 196 -2.754 -21.015 12.844 1.00 0.00 H new ATOM 0 HD12 LEU A 196 -2.167 -20.479 14.436 1.00 0.00 H new ATOM 0 HD13 LEU A 196 -3.613 -19.727 13.721 1.00 0.00 H new ATOM 0 HD21 LEU A 196 -2.473 -19.638 10.868 1.00 0.00 H new ATOM 0 HD22 LEU A 196 -3.372 -18.314 11.649 1.00 0.00 H new ATOM 0 HD23 LEU A 196 -1.753 -18.013 10.972 1.00 0.00 H new ATOM 758 N CYS A 197 -1.415 -14.485 14.072 1.00 0.00 N ATOM 759 CA CYS A 197 -1.435 -13.399 15.055 1.00 0.00 C ATOM 760 C CYS A 197 -2.148 -13.870 16.333 1.00 0.00 C ATOM 761 O CYS A 197 -3.331 -14.221 16.292 1.00 0.00 O ATOM 762 CB CYS A 197 -2.170 -12.191 14.465 1.00 0.00 C ATOM 763 SG CYS A 197 -2.240 -10.793 15.620 1.00 0.00 S ATOM 0 H CYS A 197 -1.998 -14.316 13.253 1.00 0.00 H new ATOM 0 HA CYS A 197 -0.412 -13.114 15.302 1.00 0.00 H new ATOM 0 HB2 CYS A 197 -1.670 -11.877 13.549 1.00 0.00 H new ATOM 0 HB3 CYS A 197 -3.184 -12.484 14.191 1.00 0.00 H new ATOM 0 HG CYS A 197 -1.702 -9.746 15.067 1.00 0.00 H new ATOM 768 N ARG A 198 -1.472 -13.900 17.482 1.00 0.00 N ATOM 769 CA ARG A 198 -2.075 -14.371 18.747 1.00 0.00 C ATOM 770 C ARG A 198 -3.317 -13.544 19.068 1.00 0.00 C ATOM 771 O ARG A 198 -4.373 -14.108 19.326 1.00 0.00 O ATOM 772 CB ARG A 198 -1.050 -14.227 19.892 1.00 0.00 C ATOM 773 CG ARG A 198 -0.118 -15.442 20.039 1.00 0.00 C ATOM 774 CD ARG A 198 -0.805 -16.695 20.606 1.00 0.00 C ATOM 775 NE ARG A 198 -1.314 -16.484 21.974 1.00 0.00 N ATOM 776 CZ ARG A 198 -2.047 -17.330 22.679 1.00 0.00 C ATOM 777 NH1 ARG A 198 -2.395 -18.507 22.228 1.00 0.00 N ATOM 778 NH2 ARG A 198 -2.437 -17.016 23.886 1.00 0.00 N ATOM 0 H ARG A 198 -0.500 -13.603 17.571 1.00 0.00 H new ATOM 0 HA ARG A 198 -2.358 -15.418 18.641 1.00 0.00 H new ATOM 0 HB2 ARG A 198 -0.447 -13.336 19.719 1.00 0.00 H new ATOM 0 HB3 ARG A 198 -1.584 -14.073 20.830 1.00 0.00 H new ATOM 0 HG2 ARG A 198 0.304 -15.682 19.063 1.00 0.00 H new ATOM 0 HG3 ARG A 198 0.714 -15.172 20.689 1.00 0.00 H new ATOM 0 HD2 ARG A 198 -1.630 -16.981 19.954 1.00 0.00 H new ATOM 0 HD3 ARG A 198 -0.098 -17.525 20.608 1.00 0.00 H new ATOM 0 HE ARG A 198 -1.077 -15.598 22.421 1.00 0.00 H new ATOM 0 HH11 ARG A 198 -2.100 -18.804 21.298 1.00 0.00 H new ATOM 0 HH12 ARG A 198 -2.961 -19.128 22.806 1.00 0.00 H new ATOM 0 HH21 ARG A 198 -2.176 -16.116 24.288 1.00 0.00 H new ATOM 0 HH22 ARG A 198 -3.002 -17.671 24.426 1.00 0.00 H new ATOM 792 N THR A 199 -3.247 -12.209 19.092 1.00 0.00 N ATOM 793 CA THR A 199 -4.408 -11.365 19.461 1.00 0.00 C ATOM 794 C THR A 199 -5.599 -11.675 18.537 1.00 0.00 C ATOM 795 O THR A 199 -6.703 -11.913 19.027 1.00 0.00 O ATOM 796 CB THR A 199 -4.028 -9.875 19.334 1.00 0.00 C ATOM 797 OG1 THR A 199 -2.713 -9.652 19.813 1.00 0.00 O ATOM 798 CG2 THR A 199 -4.937 -8.974 20.167 1.00 0.00 C ATOM 0 H THR A 199 -2.404 -11.682 18.862 1.00 0.00 H new ATOM 0 HA THR A 199 -4.691 -11.580 20.491 1.00 0.00 H new ATOM 0 HB THR A 199 -4.123 -9.636 18.275 1.00 0.00 H new ATOM 0 HG1 THR A 199 -2.489 -8.702 19.723 1.00 0.00 H new ATOM 0 HG21 THR A 199 -4.630 -7.935 20.045 1.00 0.00 H new ATOM 0 HG22 THR A 199 -5.968 -9.089 19.833 1.00 0.00 H new ATOM 0 HG23 THR A 199 -4.862 -9.253 21.218 1.00 0.00 H new ATOM 806 N PHE A 200 -5.433 -11.737 17.214 1.00 0.00 N ATOM 807 CA PHE A 200 -6.564 -11.995 16.303 1.00 0.00 C ATOM 808 C PHE A 200 -7.077 -13.447 16.494 1.00 0.00 C ATOM 809 O PHE A 200 -8.285 -13.679 16.459 1.00 0.00 O ATOM 810 CB PHE A 200 -6.114 -11.790 14.853 1.00 0.00 C ATOM 811 CG PHE A 200 -7.243 -11.827 13.843 1.00 0.00 C ATOM 812 CD1 PHE A 200 -7.960 -10.650 13.554 1.00 0.00 C ATOM 813 CD2 PHE A 200 -7.581 -13.030 13.193 1.00 0.00 C ATOM 814 CE1 PHE A 200 -9.011 -10.677 12.621 1.00 0.00 C ATOM 815 CE2 PHE A 200 -8.632 -13.057 12.259 1.00 0.00 C ATOM 816 CZ PHE A 200 -9.347 -11.879 11.973 1.00 0.00 C ATOM 0 H PHE A 200 -4.535 -11.614 16.746 1.00 0.00 H new ATOM 0 HA PHE A 200 -7.373 -11.300 16.531 1.00 0.00 H new ATOM 0 HB2 PHE A 200 -5.603 -10.831 14.775 1.00 0.00 H new ATOM 0 HB3 PHE A 200 -5.387 -12.561 14.597 1.00 0.00 H new ATOM 0 HD1 PHE A 200 -7.702 -9.726 14.050 1.00 0.00 H new ATOM 0 HD2 PHE A 200 -7.032 -13.934 13.412 1.00 0.00 H new ATOM 0 HE1 PHE A 200 -9.561 -9.774 12.402 1.00 0.00 H new ATOM 0 HE2 PHE A 200 -8.890 -13.980 11.762 1.00 0.00 H new ATOM 0 HZ PHE A 200 -10.154 -11.898 11.256 1.00 0.00 H new ATOM 826 N HIS A 201 -6.215 -14.439 16.713 1.00 0.00 N ATOM 827 CA HIS A 201 -6.660 -15.853 16.844 1.00 0.00 C ATOM 828 C HIS A 201 -7.080 -16.156 18.316 1.00 0.00 C ATOM 829 O HIS A 201 -7.592 -17.243 18.596 1.00 0.00 O ATOM 830 CB HIS A 201 -5.515 -16.792 16.428 1.00 0.00 C ATOM 831 CG HIS A 201 -5.426 -16.894 14.919 1.00 0.00 C ATOM 832 ND1 HIS A 201 -5.947 -17.945 14.159 1.00 0.00 N ATOM 833 CD2 HIS A 201 -4.986 -15.920 14.070 1.00 0.00 C ATOM 834 CE1 HIS A 201 -5.807 -17.582 12.873 1.00 0.00 C ATOM 835 NE2 HIS A 201 -5.233 -16.370 12.791 1.00 0.00 N ATOM 0 H HIS A 201 -5.208 -14.306 16.805 1.00 0.00 H new ATOM 0 HA HIS A 201 -7.520 -16.015 16.194 1.00 0.00 H new ATOM 0 HB2 HIS A 201 -4.571 -16.422 16.829 1.00 0.00 H new ATOM 0 HB3 HIS A 201 -5.676 -17.782 16.855 1.00 0.00 H new ATOM 0 HD2 HIS A 201 -4.533 -14.980 14.347 1.00 0.00 H new ATOM 0 HE1 HIS A 201 -6.112 -18.179 12.026 1.00 0.00 H new ATOM 0 HE2 HIS A 201 -5.017 -15.869 11.929 1.00 0.00 H new ATOM 843 N THR A 202 -6.921 -15.223 19.271 1.00 0.00 N ATOM 844 CA THR A 202 -7.297 -15.475 20.698 1.00 0.00 C ATOM 845 C THR A 202 -8.457 -14.546 21.110 1.00 0.00 C ATOM 846 O THR A 202 -9.353 -14.973 21.844 1.00 0.00 O ATOM 847 CB THR A 202 -6.082 -15.214 21.610 1.00 0.00 C ATOM 848 OG1 THR A 202 -5.006 -16.045 21.229 1.00 0.00 O ATOM 849 CG2 THR A 202 -6.348 -15.496 23.088 1.00 0.00 C ATOM 0 H THR A 202 -6.540 -14.293 19.097 1.00 0.00 H new ATOM 0 HA THR A 202 -7.614 -16.513 20.802 1.00 0.00 H new ATOM 0 HB THR A 202 -5.857 -14.154 21.491 1.00 0.00 H new ATOM 0 HG1 THR A 202 -4.521 -15.631 20.485 1.00 0.00 H new ATOM 0 HG21 THR A 202 -5.447 -15.289 23.666 1.00 0.00 H new ATOM 0 HG22 THR A 202 -7.159 -14.858 23.440 1.00 0.00 H new ATOM 0 HG23 THR A 202 -6.628 -16.542 23.214 1.00 0.00 H new ATOM 857 N ILE A 203 -8.507 -13.288 20.650 1.00 0.00 N ATOM 858 CA ILE A 203 -9.611 -12.359 21.009 1.00 0.00 C ATOM 859 C ILE A 203 -10.576 -12.212 19.810 1.00 0.00 C ATOM 860 O ILE A 203 -11.673 -11.670 19.964 1.00 0.00 O ATOM 861 CB ILE A 203 -9.021 -10.962 21.378 1.00 0.00 C ATOM 862 CG1 ILE A 203 -7.711 -11.063 22.202 1.00 0.00 C ATOM 863 CG2 ILE A 203 -10.059 -10.152 22.181 1.00 0.00 C ATOM 864 CD1 ILE A 203 -7.188 -9.754 22.813 1.00 0.00 C ATOM 0 H ILE A 203 -7.804 -12.883 20.031 1.00 0.00 H new ATOM 0 HA ILE A 203 -10.155 -12.759 21.864 1.00 0.00 H new ATOM 0 HB ILE A 203 -8.783 -10.461 20.439 1.00 0.00 H new ATOM 0 HG12 ILE A 203 -7.869 -11.778 23.009 1.00 0.00 H new ATOM 0 HG13 ILE A 203 -6.933 -11.475 21.559 1.00 0.00 H new ATOM 0 HG21 ILE A 203 -9.642 -9.178 22.436 1.00 0.00 H new ATOM 0 HG22 ILE A 203 -10.958 -10.016 21.580 1.00 0.00 H new ATOM 0 HG23 ILE A 203 -10.311 -10.689 23.095 1.00 0.00 H new ATOM 0 HD11 ILE A 203 -6.269 -9.952 23.365 1.00 0.00 H new ATOM 0 HD12 ILE A 203 -6.987 -9.036 22.018 1.00 0.00 H new ATOM 0 HD13 ILE A 203 -7.937 -9.344 23.491 1.00 0.00 H new ATOM 876 N GLY A 204 -10.211 -12.659 18.596 1.00 0.00 N ATOM 877 CA GLY A 204 -11.036 -12.423 17.393 1.00 0.00 C ATOM 878 C GLY A 204 -10.771 -11.002 16.854 1.00 0.00 C ATOM 879 O GLY A 204 -11.434 -10.569 15.906 1.00 0.00 O ATOM 0 H GLY A 204 -9.354 -13.184 18.420 1.00 0.00 H new ATOM 0 HA2 GLY A 204 -10.801 -13.163 16.628 1.00 0.00 H new ATOM 0 HA3 GLY A 204 -12.092 -12.540 17.635 1.00 0.00 H new ATOM 883 N PHE A 205 -9.834 -10.234 17.433 1.00 0.00 N ATOM 884 CA PHE A 205 -9.577 -8.850 17.012 1.00 0.00 C ATOM 885 C PHE A 205 -8.087 -8.521 17.210 1.00 0.00 C ATOM 886 O PHE A 205 -7.408 -9.194 17.983 1.00 0.00 O ATOM 887 CB PHE A 205 -10.435 -7.891 17.863 1.00 0.00 C ATOM 888 CG PHE A 205 -10.129 -6.411 17.692 1.00 0.00 C ATOM 889 CD1 PHE A 205 -10.205 -5.820 16.418 1.00 0.00 C ATOM 890 CD2 PHE A 205 -9.704 -5.638 18.791 1.00 0.00 C ATOM 891 CE1 PHE A 205 -9.866 -4.466 16.240 1.00 0.00 C ATOM 892 CE2 PHE A 205 -9.362 -4.285 18.615 1.00 0.00 C ATOM 893 CZ PHE A 205 -9.445 -3.698 17.339 1.00 0.00 C ATOM 0 H PHE A 205 -9.239 -10.552 18.198 1.00 0.00 H new ATOM 0 HA PHE A 205 -9.835 -8.734 15.959 1.00 0.00 H new ATOM 0 HB2 PHE A 205 -11.484 -8.058 17.620 1.00 0.00 H new ATOM 0 HB3 PHE A 205 -10.306 -8.152 18.914 1.00 0.00 H new ATOM 0 HD1 PHE A 205 -10.525 -6.409 15.571 1.00 0.00 H new ATOM 0 HD2 PHE A 205 -9.641 -6.086 19.772 1.00 0.00 H new ATOM 0 HE1 PHE A 205 -9.929 -4.017 15.260 1.00 0.00 H new ATOM 0 HE2 PHE A 205 -9.036 -3.696 19.460 1.00 0.00 H new ATOM 0 HZ PHE A 205 -9.185 -2.658 17.204 1.00 0.00 H new ATOM 903 N CYS A 206 -7.546 -7.471 16.574 1.00 0.00 N ATOM 904 CA CYS A 206 -6.159 -7.055 16.797 1.00 0.00 C ATOM 905 C CYS A 206 -6.052 -5.522 16.647 1.00 0.00 C ATOM 906 O CYS A 206 -6.561 -4.960 15.668 1.00 0.00 O ATOM 907 CB CYS A 206 -5.252 -7.738 15.771 1.00 0.00 C ATOM 908 SG CYS A 206 -3.520 -7.259 16.007 1.00 0.00 S ATOM 0 H CYS A 206 -8.052 -6.895 15.901 1.00 0.00 H new ATOM 0 HA CYS A 206 -5.848 -7.342 17.802 1.00 0.00 H new ATOM 0 HB2 CYS A 206 -5.348 -8.820 15.860 1.00 0.00 H new ATOM 0 HB3 CYS A 206 -5.572 -7.471 14.764 1.00 0.00 H new ATOM 0 HG CYS A 206 -2.780 -8.326 16.077 1.00 0.00 H new ATOM 913 N PRO A 207 -5.420 -4.796 17.594 1.00 0.00 N ATOM 914 CA PRO A 207 -5.396 -3.335 17.571 1.00 0.00 C ATOM 915 C PRO A 207 -4.486 -2.835 16.430 1.00 0.00 C ATOM 916 O PRO A 207 -4.509 -1.645 16.104 1.00 0.00 O ATOM 917 CB PRO A 207 -4.860 -2.830 18.912 1.00 0.00 C ATOM 918 CG PRO A 207 -4.043 -4.034 19.392 1.00 0.00 C ATOM 919 CD PRO A 207 -4.772 -5.255 18.815 1.00 0.00 C ATOM 0 HA PRO A 207 -6.405 -2.958 17.404 1.00 0.00 H new ATOM 0 HB2 PRO A 207 -4.245 -1.937 18.797 1.00 0.00 H new ATOM 0 HB3 PRO A 207 -5.663 -2.577 19.605 1.00 0.00 H new ATOM 0 HG2 PRO A 207 -3.014 -3.982 19.035 1.00 0.00 H new ATOM 0 HG3 PRO A 207 -4.001 -4.076 20.480 1.00 0.00 H new ATOM 0 HD2 PRO A 207 -4.072 -6.064 18.605 1.00 0.00 H new ATOM 0 HD3 PRO A 207 -5.504 -5.643 19.523 1.00 0.00 H new ATOM 927 N TYR A 208 -3.694 -3.699 15.768 1.00 0.00 N ATOM 928 CA TYR A 208 -2.846 -3.268 14.642 1.00 0.00 C ATOM 929 C TYR A 208 -3.647 -3.357 13.324 1.00 0.00 C ATOM 930 O TYR A 208 -3.285 -2.710 12.339 1.00 0.00 O ATOM 931 CB TYR A 208 -1.604 -4.170 14.556 1.00 0.00 C ATOM 932 CG TYR A 208 -0.589 -4.047 15.682 1.00 0.00 C ATOM 933 CD1 TYR A 208 -0.852 -4.588 16.956 1.00 0.00 C ATOM 934 CD2 TYR A 208 0.654 -3.433 15.435 1.00 0.00 C ATOM 935 CE1 TYR A 208 0.102 -4.481 17.988 1.00 0.00 C ATOM 936 CE2 TYR A 208 1.609 -3.316 16.463 1.00 0.00 C ATOM 937 CZ TYR A 208 1.336 -3.841 17.743 1.00 0.00 C ATOM 938 OH TYR A 208 2.272 -3.742 18.727 1.00 0.00 O ATOM 0 H TYR A 208 -3.624 -4.692 15.991 1.00 0.00 H new ATOM 0 HA TYR A 208 -2.531 -2.237 14.802 1.00 0.00 H new ATOM 0 HB2 TYR A 208 -1.939 -5.206 14.512 1.00 0.00 H new ATOM 0 HB3 TYR A 208 -1.095 -3.959 13.615 1.00 0.00 H new ATOM 0 HD1 TYR A 208 -1.791 -5.088 17.143 1.00 0.00 H new ATOM 0 HD2 TYR A 208 0.876 -3.049 14.450 1.00 0.00 H new ATOM 0 HE1 TYR A 208 -0.111 -4.888 18.965 1.00 0.00 H new ATOM 0 HE2 TYR A 208 2.551 -2.824 16.271 1.00 0.00 H new ATOM 0 HH TYR A 208 3.060 -3.272 18.383 1.00 0.00 H new ATOM 948 N GLY A 209 -4.778 -4.081 13.276 1.00 0.00 N ATOM 949 CA GLY A 209 -5.645 -4.107 12.081 1.00 0.00 C ATOM 950 C GLY A 209 -4.851 -4.632 10.862 1.00 0.00 C ATOM 951 O GLY A 209 -3.977 -5.488 11.016 1.00 0.00 O ATOM 0 H GLY A 209 -5.115 -4.656 14.048 1.00 0.00 H new ATOM 0 HA2 GLY A 209 -6.510 -4.744 12.263 1.00 0.00 H new ATOM 0 HA3 GLY A 209 -6.024 -3.106 11.875 1.00 0.00 H new ATOM 955 N PRO A 210 -5.141 -4.174 9.625 1.00 0.00 N ATOM 956 CA PRO A 210 -4.460 -4.668 8.421 1.00 0.00 C ATOM 957 C PRO A 210 -2.944 -4.351 8.496 1.00 0.00 C ATOM 958 O PRO A 210 -2.148 -4.980 7.793 1.00 0.00 O ATOM 959 CB PRO A 210 -5.066 -3.982 7.194 1.00 0.00 C ATOM 960 CG PRO A 210 -6.409 -3.483 7.742 1.00 0.00 C ATOM 961 CD PRO A 210 -6.159 -3.214 9.231 1.00 0.00 C ATOM 0 HA PRO A 210 -4.589 -5.748 8.348 1.00 0.00 H new ATOM 0 HB2 PRO A 210 -4.442 -3.164 6.834 1.00 0.00 H new ATOM 0 HB3 PRO A 210 -5.196 -4.674 6.362 1.00 0.00 H new ATOM 0 HG2 PRO A 210 -6.733 -2.579 7.227 1.00 0.00 H new ATOM 0 HG3 PRO A 210 -7.193 -4.228 7.602 1.00 0.00 H new ATOM 0 HD2 PRO A 210 -5.820 -2.191 9.395 1.00 0.00 H new ATOM 0 HD3 PRO A 210 -7.071 -3.345 9.814 1.00 0.00 H new ATOM 969 N ARG A 211 -2.497 -3.386 9.327 1.00 0.00 N ATOM 970 CA ARG A 211 -1.058 -3.040 9.436 1.00 0.00 C ATOM 971 C ARG A 211 -0.343 -4.041 10.373 1.00 0.00 C ATOM 972 O ARG A 211 0.859 -3.904 10.614 1.00 0.00 O ATOM 973 CB ARG A 211 -0.913 -1.616 10.002 1.00 0.00 C ATOM 974 CG ARG A 211 -1.556 -0.555 9.090 1.00 0.00 C ATOM 975 CD ARG A 211 -1.101 0.868 9.435 1.00 0.00 C ATOM 976 NE ARG A 211 -1.390 1.213 10.836 1.00 0.00 N ATOM 977 CZ ARG A 211 -1.728 2.389 11.327 1.00 0.00 C ATOM 978 NH1 ARG A 211 -1.929 3.454 10.595 1.00 0.00 N ATOM 979 NH2 ARG A 211 -1.876 2.512 12.616 1.00 0.00 N ATOM 0 H ARG A 211 -3.106 -2.833 9.931 1.00 0.00 H new ATOM 0 HA ARG A 211 -0.604 -3.089 8.446 1.00 0.00 H new ATOM 0 HB2 ARG A 211 -1.374 -1.571 10.989 1.00 0.00 H new ATOM 0 HB3 ARG A 211 0.144 -1.386 10.134 1.00 0.00 H new ATOM 0 HG2 ARG A 211 -1.304 -0.772 8.052 1.00 0.00 H new ATOM 0 HG3 ARG A 211 -2.641 -0.617 9.175 1.00 0.00 H new ATOM 0 HD2 ARG A 211 -0.031 0.961 9.252 1.00 0.00 H new ATOM 0 HD3 ARG A 211 -1.600 1.578 8.776 1.00 0.00 H new ATOM 0 HE ARG A 211 -1.320 0.450 11.509 1.00 0.00 H new ATOM 0 HH11 ARG A 211 -1.826 3.403 9.582 1.00 0.00 H new ATOM 0 HH12 ARG A 211 -2.189 4.335 11.038 1.00 0.00 H new ATOM 0 HH21 ARG A 211 -1.731 1.707 13.225 1.00 0.00 H new ATOM 0 HH22 ARG A 211 -2.137 3.413 13.016 1.00 0.00 H new ATOM 993 N CYS A 212 -1.025 -5.071 10.906 1.00 0.00 N ATOM 994 CA CYS A 212 -0.377 -6.078 11.750 1.00 0.00 C ATOM 995 C CYS A 212 0.647 -6.870 10.916 1.00 0.00 C ATOM 996 O CYS A 212 0.423 -7.114 9.724 1.00 0.00 O ATOM 997 CB CYS A 212 -1.432 -7.033 12.308 1.00 0.00 C ATOM 998 SG CYS A 212 -0.678 -8.005 13.646 1.00 0.00 S ATOM 0 H CYS A 212 -2.024 -5.223 10.764 1.00 0.00 H new ATOM 0 HA CYS A 212 0.135 -5.583 12.575 1.00 0.00 H new ATOM 0 HB2 CYS A 212 -2.289 -6.474 12.683 1.00 0.00 H new ATOM 0 HB3 CYS A 212 -1.800 -7.692 11.522 1.00 0.00 H new ATOM 0 HG CYS A 212 -1.364 -7.845 14.738 1.00 0.00 H new ATOM 1003 N HIS A 213 1.772 -7.299 11.488 1.00 0.00 N ATOM 1004 CA HIS A 213 2.802 -8.024 10.740 1.00 0.00 C ATOM 1005 C HIS A 213 2.581 -9.543 10.878 1.00 0.00 C ATOM 1006 O HIS A 213 3.421 -10.323 10.433 1.00 0.00 O ATOM 1007 CB HIS A 213 4.189 -7.655 11.290 1.00 0.00 C ATOM 1008 CG HIS A 213 4.600 -6.241 10.957 1.00 0.00 C ATOM 1009 ND1 HIS A 213 5.509 -5.880 9.958 1.00 0.00 N ATOM 1010 CD2 HIS A 213 4.121 -5.110 11.549 1.00 0.00 C ATOM 1011 CE1 HIS A 213 5.560 -4.537 9.975 1.00 0.00 C ATOM 1012 NE2 HIS A 213 4.734 -4.050 10.919 1.00 0.00 N ATOM 0 H HIS A 213 1.995 -7.156 12.473 1.00 0.00 H new ATOM 0 HA HIS A 213 2.741 -7.749 9.687 1.00 0.00 H new ATOM 0 HB2 HIS A 213 4.190 -7.782 12.373 1.00 0.00 H new ATOM 0 HB3 HIS A 213 4.929 -8.347 10.887 1.00 0.00 H new ATOM 0 HD2 HIS A 213 3.402 -5.056 12.353 1.00 0.00 H new ATOM 0 HE1 HIS A 213 6.176 -3.935 9.324 1.00 0.00 H new ATOM 0 HE2 HIS A 213 4.587 -3.063 11.132 1.00 0.00 H new ATOM 1020 N PHE A 214 1.473 -10.015 11.481 1.00 0.00 N ATOM 1021 CA PHE A 214 1.233 -11.466 11.655 1.00 0.00 C ATOM 1022 C PHE A 214 -0.076 -11.875 10.924 1.00 0.00 C ATOM 1023 O PHE A 214 -0.877 -11.010 10.557 1.00 0.00 O ATOM 1024 CB PHE A 214 1.116 -11.788 13.149 1.00 0.00 C ATOM 1025 CG PHE A 214 2.434 -11.729 13.902 1.00 0.00 C ATOM 1026 CD1 PHE A 214 2.960 -10.499 14.348 1.00 0.00 C ATOM 1027 CD2 PHE A 214 3.140 -12.917 14.160 1.00 0.00 C ATOM 1028 CE1 PHE A 214 4.185 -10.462 15.041 1.00 0.00 C ATOM 1029 CE2 PHE A 214 4.367 -12.881 14.848 1.00 0.00 C ATOM 1030 CZ PHE A 214 4.889 -11.654 15.292 1.00 0.00 C ATOM 0 H PHE A 214 0.733 -9.420 11.854 1.00 0.00 H new ATOM 0 HA PHE A 214 2.067 -12.024 11.229 1.00 0.00 H new ATOM 0 HB2 PHE A 214 0.417 -11.088 13.607 1.00 0.00 H new ATOM 0 HB3 PHE A 214 0.690 -12.785 13.262 1.00 0.00 H new ATOM 0 HD1 PHE A 214 2.421 -9.582 14.157 1.00 0.00 H new ATOM 0 HD2 PHE A 214 2.738 -13.863 13.828 1.00 0.00 H new ATOM 0 HE1 PHE A 214 4.585 -9.518 15.380 1.00 0.00 H new ATOM 0 HE2 PHE A 214 4.908 -13.797 15.035 1.00 0.00 H new ATOM 0 HZ PHE A 214 5.828 -11.626 15.825 1.00 0.00 H new ATOM 1040 N ILE A 215 -0.302 -13.170 10.638 1.00 0.00 N ATOM 1041 CA ILE A 215 -1.458 -13.609 9.817 1.00 0.00 C ATOM 1042 C ILE A 215 -2.762 -13.419 10.608 1.00 0.00 C ATOM 1043 O ILE A 215 -2.949 -14.050 11.652 1.00 0.00 O ATOM 1044 CB ILE A 215 -1.296 -15.109 9.443 1.00 0.00 C ATOM 1045 CG1 ILE A 215 0.015 -15.412 8.686 1.00 0.00 C ATOM 1046 CG2 ILE A 215 -2.499 -15.568 8.589 1.00 0.00 C ATOM 1047 CD1 ILE A 215 0.344 -16.908 8.583 1.00 0.00 C ATOM 0 H ILE A 215 0.295 -13.932 10.959 1.00 0.00 H new ATOM 0 HA ILE A 215 -1.496 -13.009 8.908 1.00 0.00 H new ATOM 0 HB ILE A 215 -1.257 -15.661 10.382 1.00 0.00 H new ATOM 0 HG12 ILE A 215 -0.053 -14.995 7.681 1.00 0.00 H new ATOM 0 HG13 ILE A 215 0.838 -14.903 9.187 1.00 0.00 H new ATOM 0 HG21 ILE A 215 -2.381 -16.620 8.329 1.00 0.00 H new ATOM 0 HG22 ILE A 215 -3.420 -15.436 9.157 1.00 0.00 H new ATOM 0 HG23 ILE A 215 -2.546 -14.972 7.677 1.00 0.00 H new ATOM 0 HD11 ILE A 215 1.279 -17.038 8.038 1.00 0.00 H new ATOM 0 HD12 ILE A 215 0.446 -17.328 9.584 1.00 0.00 H new ATOM 0 HD13 ILE A 215 -0.459 -17.422 8.054 1.00 0.00 H new ATOM 1059 N HIS A 216 -3.719 -12.632 10.117 1.00 0.00 N ATOM 1060 CA HIS A 216 -5.052 -12.547 10.729 1.00 0.00 C ATOM 1061 C HIS A 216 -5.976 -13.619 10.103 1.00 0.00 C ATOM 1062 O HIS A 216 -5.937 -14.779 10.518 1.00 0.00 O ATOM 1063 CB HIS A 216 -5.643 -11.141 10.485 1.00 0.00 C ATOM 1064 CG HIS A 216 -5.062 -10.066 11.368 1.00 0.00 C ATOM 1065 ND1 HIS A 216 -5.489 -8.758 11.425 1.00 0.00 N ATOM 1066 CD2 HIS A 216 -4.090 -10.224 12.319 1.00 0.00 C ATOM 1067 CE1 HIS A 216 -4.792 -8.147 12.399 1.00 0.00 C ATOM 1068 NE2 HIS A 216 -3.948 -9.010 12.982 1.00 0.00 N ATOM 0 H HIS A 216 -3.599 -12.041 9.294 1.00 0.00 H new ATOM 0 HA HIS A 216 -4.973 -12.722 11.802 1.00 0.00 H new ATOM 0 HB2 HIS A 216 -5.481 -10.867 9.443 1.00 0.00 H new ATOM 0 HB3 HIS A 216 -6.721 -11.180 10.640 1.00 0.00 H new ATOM 0 HD2 HIS A 216 -3.534 -11.128 12.518 1.00 0.00 H new ATOM 0 HE1 HIS A 216 -4.897 -7.108 12.673 1.00 0.00 H new ATOM 0 HE2 HIS A 216 -3.321 -8.814 13.763 1.00 0.00 H new