USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 490 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 27 HIS :FLIP no HD1:sc= -1.19 F(o=-11,f=-9.4) USER MOD Set 1.2: A 31 HIS :FLIP no HD1:sc= -8.24! C(o=-12!,f=-9.4!) USER MOD Set 2.1: A 14 SER OG : rot 180:sc= -0.45 USER MOD Set 2.2: A 15 SER OG : rot -170:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 30:sc= -0.0252 USER MOD Single : A 21 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.14) USER MOD Single : A 22 THR OG1 : rot 88:sc= 1.26 USER MOD Single : A 23 SER OG : rot 105:sc= 1.34 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -113:sc= 0.521 (180deg=-0.311) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.499 K(o=-0.5,f=-1.4) USER MOD Single : A 42 SER OG : rot -68:sc= -1.48! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 CYS SG : rot 136:sc= -0.112 USER MOD Single : A 46 SER OG : rot -106:sc= 0.763 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -137:sc= -0.339 USER MOD Single : A 52 MET CE :methyl -154:sc= -0.447 (180deg=-2.19!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -120:sc= 1.24 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 144:sc= 0 (180deg=-0.0314) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.0383) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 163 N LYS A 12 -13.568 11.531 -3.271 1.00 0.00 N ATOM 164 CA LYS A 12 -13.005 10.247 -3.806 1.00 0.00 C ATOM 165 C LYS A 12 -14.027 9.110 -3.679 1.00 0.00 C ATOM 166 O LYS A 12 -15.187 9.337 -3.388 1.00 0.00 O ATOM 167 CB LYS A 12 -11.768 9.955 -2.950 1.00 0.00 C ATOM 168 CG LYS A 12 -10.728 11.055 -3.163 1.00 0.00 C ATOM 169 CD LYS A 12 -9.772 11.094 -1.969 1.00 0.00 C ATOM 170 CE LYS A 12 -9.061 12.448 -1.926 1.00 0.00 C ATOM 171 NZ LYS A 12 -8.527 12.558 -0.540 1.00 0.00 N ATOM 0 HA LYS A 12 -12.757 10.328 -4.864 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.046 9.902 -1.897 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.348 8.986 -3.218 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.171 10.870 -4.082 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.222 12.020 -3.278 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.324 10.932 -1.043 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.040 10.290 -2.049 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.259 12.497 -2.663 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.750 13.263 -2.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.025 13.462 -0.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.313 12.515 0.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.869 11.773 -0.358 1.00 0.00 H new ATOM 185 N MET A 13 -13.601 7.891 -3.895 1.00 0.00 N ATOM 186 CA MET A 13 -14.538 6.733 -3.789 1.00 0.00 C ATOM 187 C MET A 13 -13.898 5.609 -2.968 1.00 0.00 C ATOM 188 O MET A 13 -12.881 5.799 -2.328 1.00 0.00 O ATOM 189 CB MET A 13 -14.773 6.279 -5.230 1.00 0.00 C ATOM 190 CG MET A 13 -15.603 7.331 -5.968 1.00 0.00 C ATOM 191 SD MET A 13 -16.182 6.646 -7.540 1.00 0.00 S ATOM 192 CE MET A 13 -17.663 7.675 -7.704 1.00 0.00 C ATOM 0 H MET A 13 -12.641 7.648 -4.141 1.00 0.00 H new ATOM 0 HA MET A 13 -15.470 7.000 -3.290 1.00 0.00 H new ATOM 0 HB2 MET A 13 -13.819 6.132 -5.736 1.00 0.00 H new ATOM 0 HB3 MET A 13 -15.290 5.320 -5.240 1.00 0.00 H new ATOM 0 HG2 MET A 13 -16.452 7.635 -5.356 1.00 0.00 H new ATOM 0 HG3 MET A 13 -15.003 8.224 -6.146 1.00 0.00 H new ATOM 0 HE1 MET A 13 -18.186 7.416 -8.625 1.00 0.00 H new ATOM 0 HE2 MET A 13 -18.321 7.504 -6.852 1.00 0.00 H new ATOM 0 HE3 MET A 13 -17.375 8.726 -7.734 1.00 0.00 H new ATOM 202 N SER A 14 -14.489 4.441 -2.985 1.00 0.00 N ATOM 203 CA SER A 14 -13.923 3.298 -2.209 1.00 0.00 C ATOM 204 C SER A 14 -14.320 1.969 -2.859 1.00 0.00 C ATOM 205 O SER A 14 -15.023 1.941 -3.852 1.00 0.00 O ATOM 206 CB SER A 14 -14.543 3.419 -0.818 1.00 0.00 C ATOM 207 OG SER A 14 -14.337 2.207 -0.105 1.00 0.00 O ATOM 0 H SER A 14 -15.341 4.230 -3.504 1.00 0.00 H new ATOM 0 HA SER A 14 -12.834 3.322 -2.174 1.00 0.00 H new ATOM 0 HB2 SER A 14 -14.094 4.253 -0.278 1.00 0.00 H new ATOM 0 HB3 SER A 14 -15.609 3.630 -0.900 1.00 0.00 H new ATOM 0 HG SER A 14 -14.732 2.282 0.789 1.00 0.00 H new ATOM 213 N SER A 15 -13.872 0.871 -2.304 1.00 0.00 N ATOM 214 CA SER A 15 -14.220 -0.462 -2.884 1.00 0.00 C ATOM 215 C SER A 15 -15.711 -0.752 -2.687 1.00 0.00 C ATOM 216 O SER A 15 -16.323 -1.455 -3.469 1.00 0.00 O ATOM 217 CB SER A 15 -13.372 -1.473 -2.112 1.00 0.00 C ATOM 218 OG SER A 15 -13.698 -1.399 -0.730 1.00 0.00 O ATOM 0 H SER A 15 -13.280 0.840 -1.474 1.00 0.00 H new ATOM 0 HA SER A 15 -14.025 -0.505 -3.956 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.554 -2.480 -2.487 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.312 -1.265 -2.259 1.00 0.00 H new ATOM 0 HG SER A 15 -13.053 -1.926 -0.213 1.00 0.00 H new ATOM 224 N TYR A 16 -16.295 -0.213 -1.647 1.00 0.00 N ATOM 225 CA TYR A 16 -17.749 -0.451 -1.392 1.00 0.00 C ATOM 226 C TYR A 16 -18.595 0.319 -2.410 1.00 0.00 C ATOM 227 O TYR A 16 -19.689 -0.088 -2.753 1.00 0.00 O ATOM 228 CB TYR A 16 -18.002 0.075 0.022 1.00 0.00 C ATOM 229 CG TYR A 16 -19.239 -0.578 0.590 1.00 0.00 C ATOM 230 CD1 TYR A 16 -20.506 -0.077 0.266 1.00 0.00 C ATOM 231 CD2 TYR A 16 -19.120 -1.684 1.440 1.00 0.00 C ATOM 232 CE1 TYR A 16 -21.653 -0.682 0.793 1.00 0.00 C ATOM 233 CE2 TYR A 16 -20.267 -2.289 1.966 1.00 0.00 C ATOM 234 CZ TYR A 16 -21.534 -1.788 1.643 1.00 0.00 C ATOM 235 OH TYR A 16 -22.665 -2.385 2.163 1.00 0.00 O ATOM 0 H TYR A 16 -15.828 0.382 -0.963 1.00 0.00 H new ATOM 0 HA TYR A 16 -18.015 -1.504 -1.485 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -17.142 -0.135 0.659 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -18.126 1.158 0.002 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -20.598 0.776 -0.390 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -18.143 -2.070 1.690 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -22.630 -0.295 0.544 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -20.175 -3.143 2.621 1.00 0.00 H new ATOM 0 HH TYR A 16 -23.410 -2.278 1.535 1.00 0.00 H new ATOM 245 N ALA A 17 -18.093 1.427 -2.895 1.00 0.00 N ATOM 246 CA ALA A 17 -18.861 2.230 -3.895 1.00 0.00 C ATOM 247 C ALA A 17 -18.760 1.581 -5.277 1.00 0.00 C ATOM 248 O ALA A 17 -19.689 1.628 -6.063 1.00 0.00 O ATOM 249 CB ALA A 17 -18.195 3.607 -3.898 1.00 0.00 C ATOM 0 H ALA A 17 -17.183 1.811 -2.641 1.00 0.00 H new ATOM 0 HA ALA A 17 -19.921 2.294 -3.648 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -18.704 4.256 -4.610 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -18.257 4.043 -2.901 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -17.148 3.504 -4.185 1.00 0.00 H new ATOM 255 N PHE A 18 -17.639 0.977 -5.575 1.00 0.00 N ATOM 256 CA PHE A 18 -17.467 0.319 -6.905 1.00 0.00 C ATOM 257 C PHE A 18 -18.145 -1.054 -6.905 1.00 0.00 C ATOM 258 O PHE A 18 -18.605 -1.527 -7.927 1.00 0.00 O ATOM 259 CB PHE A 18 -15.955 0.173 -7.085 1.00 0.00 C ATOM 260 CG PHE A 18 -15.410 1.394 -7.785 1.00 0.00 C ATOM 261 CD1 PHE A 18 -15.129 2.554 -7.053 1.00 0.00 C ATOM 262 CD2 PHE A 18 -15.187 1.368 -9.167 1.00 0.00 C ATOM 263 CE1 PHE A 18 -14.623 3.686 -7.702 1.00 0.00 C ATOM 264 CE2 PHE A 18 -14.682 2.501 -9.816 1.00 0.00 C ATOM 265 CZ PHE A 18 -14.400 3.661 -9.083 1.00 0.00 C ATOM 0 H PHE A 18 -16.833 0.911 -4.953 1.00 0.00 H new ATOM 0 HA PHE A 18 -17.917 0.896 -7.713 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.473 0.052 -6.115 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -15.732 -0.722 -7.666 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -15.303 2.575 -5.987 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -15.405 0.474 -9.732 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -14.404 4.580 -7.136 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -14.510 2.481 -10.882 1.00 0.00 H new ATOM 0 HZ PHE A 18 -14.011 4.535 -9.584 1.00 0.00 H new ATOM 275 N PHE A 19 -18.210 -1.691 -5.763 1.00 0.00 N ATOM 276 CA PHE A 19 -18.862 -3.036 -5.686 1.00 0.00 C ATOM 277 C PHE A 19 -20.348 -2.918 -6.033 1.00 0.00 C ATOM 278 O PHE A 19 -20.844 -3.595 -6.915 1.00 0.00 O ATOM 279 CB PHE A 19 -18.684 -3.489 -4.237 1.00 0.00 C ATOM 280 CG PHE A 19 -19.061 -4.946 -4.114 1.00 0.00 C ATOM 281 CD1 PHE A 19 -18.290 -5.925 -4.753 1.00 0.00 C ATOM 282 CD2 PHE A 19 -20.181 -5.319 -3.361 1.00 0.00 C ATOM 283 CE1 PHE A 19 -18.640 -7.276 -4.640 1.00 0.00 C ATOM 284 CE2 PHE A 19 -20.530 -6.669 -3.247 1.00 0.00 C ATOM 285 CZ PHE A 19 -19.760 -7.648 -3.887 1.00 0.00 C ATOM 0 H PHE A 19 -17.840 -1.339 -4.880 1.00 0.00 H new ATOM 0 HA PHE A 19 -18.424 -3.747 -6.387 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -17.650 -3.342 -3.923 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.306 -2.885 -3.577 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -17.425 -5.638 -5.333 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -20.776 -4.564 -2.868 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -18.046 -8.031 -5.134 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -21.393 -6.956 -2.665 1.00 0.00 H new ATOM 0 HZ PHE A 19 -20.030 -8.690 -3.800 1.00 0.00 H new ATOM 295 N VAL A 20 -21.059 -2.060 -5.347 1.00 0.00 N ATOM 296 CA VAL A 20 -22.517 -1.886 -5.632 1.00 0.00 C ATOM 297 C VAL A 20 -22.704 -1.346 -7.054 1.00 0.00 C ATOM 298 O VAL A 20 -23.655 -1.684 -7.734 1.00 0.00 O ATOM 299 CB VAL A 20 -23.016 -0.876 -4.592 1.00 0.00 C ATOM 300 CG1 VAL A 20 -24.505 -0.588 -4.812 1.00 0.00 C ATOM 301 CG2 VAL A 20 -22.815 -1.453 -3.188 1.00 0.00 C ATOM 0 H VAL A 20 -20.692 -1.471 -4.600 1.00 0.00 H new ATOM 0 HA VAL A 20 -23.069 -2.824 -5.570 1.00 0.00 H new ATOM 0 HB VAL A 20 -22.453 0.051 -4.696 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -24.850 0.130 -4.069 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -24.652 -0.176 -5.810 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -25.073 -1.513 -4.714 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -23.169 -0.737 -2.446 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -23.377 -2.382 -3.093 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -21.756 -1.651 -3.024 1.00 0.00 H new ATOM 311 N GLN A 21 -21.802 -0.511 -7.503 1.00 0.00 N ATOM 312 CA GLN A 21 -21.919 0.054 -8.883 1.00 0.00 C ATOM 313 C GLN A 21 -21.786 -1.063 -9.921 1.00 0.00 C ATOM 314 O GLN A 21 -22.594 -1.179 -10.824 1.00 0.00 O ATOM 315 CB GLN A 21 -20.761 1.047 -9.013 1.00 0.00 C ATOM 316 CG GLN A 21 -21.175 2.395 -8.419 1.00 0.00 C ATOM 317 CD GLN A 21 -22.188 3.071 -9.344 1.00 0.00 C ATOM 318 OE1 GLN A 21 -23.299 3.355 -8.942 1.00 0.00 O ATOM 319 NE2 GLN A 21 -21.850 3.344 -10.573 1.00 0.00 N ATOM 0 H GLN A 21 -20.989 -0.195 -6.974 1.00 0.00 H new ATOM 0 HA GLN A 21 -22.883 0.534 -9.050 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -19.881 0.665 -8.496 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -20.488 1.168 -10.061 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -21.610 2.250 -7.430 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -20.300 3.033 -8.292 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -20.917 3.106 -10.910 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -22.518 3.796 -11.197 1.00 0.00 H new ATOM 328 N THR A 22 -20.777 -1.886 -9.794 1.00 0.00 N ATOM 329 CA THR A 22 -20.587 -3.003 -10.770 1.00 0.00 C ATOM 330 C THR A 22 -21.690 -4.049 -10.593 1.00 0.00 C ATOM 331 O THR A 22 -22.066 -4.731 -11.527 1.00 0.00 O ATOM 332 CB THR A 22 -19.220 -3.604 -10.435 1.00 0.00 C ATOM 333 OG1 THR A 22 -18.247 -2.569 -10.394 1.00 0.00 O ATOM 334 CG2 THR A 22 -18.834 -4.627 -11.504 1.00 0.00 C ATOM 0 H THR A 22 -20.075 -1.833 -9.056 1.00 0.00 H new ATOM 0 HA THR A 22 -20.635 -2.658 -11.803 1.00 0.00 H new ATOM 0 HB THR A 22 -19.268 -4.097 -9.464 1.00 0.00 H new ATOM 0 HG1 THR A 22 -18.213 -2.188 -9.492 1.00 0.00 H new ATOM 0 HG21 THR A 22 -17.860 -5.054 -11.264 1.00 0.00 H new ATOM 0 HG22 THR A 22 -19.581 -5.420 -11.535 1.00 0.00 H new ATOM 0 HG23 THR A 22 -18.785 -4.137 -12.476 1.00 0.00 H new ATOM 342 N SER A 23 -22.209 -4.177 -9.397 1.00 0.00 N ATOM 343 CA SER A 23 -23.290 -5.178 -9.148 1.00 0.00 C ATOM 344 C SER A 23 -24.646 -4.610 -9.576 1.00 0.00 C ATOM 345 O SER A 23 -25.544 -5.343 -9.947 1.00 0.00 O ATOM 346 CB SER A 23 -23.263 -5.425 -7.640 1.00 0.00 C ATOM 347 OG SER A 23 -21.958 -5.838 -7.256 1.00 0.00 O ATOM 0 H SER A 23 -21.930 -3.631 -8.582 1.00 0.00 H new ATOM 0 HA SER A 23 -23.139 -6.098 -9.713 1.00 0.00 H new ATOM 0 HB2 SER A 23 -23.542 -4.517 -7.106 1.00 0.00 H new ATOM 0 HB3 SER A 23 -23.993 -6.189 -7.372 1.00 0.00 H new ATOM 0 HG SER A 23 -21.500 -5.098 -6.805 1.00 0.00 H new ATOM 353 N ARG A 24 -24.797 -3.309 -9.531 1.00 0.00 N ATOM 354 CA ARG A 24 -26.095 -2.688 -9.937 1.00 0.00 C ATOM 355 C ARG A 24 -26.250 -2.748 -11.459 1.00 0.00 C ATOM 356 O ARG A 24 -27.323 -3.005 -11.973 1.00 0.00 O ATOM 357 CB ARG A 24 -26.014 -1.235 -9.464 1.00 0.00 C ATOM 358 CG ARG A 24 -27.375 -0.562 -9.647 1.00 0.00 C ATOM 359 CD ARG A 24 -27.443 0.085 -11.032 1.00 0.00 C ATOM 360 NE ARG A 24 -28.575 1.050 -10.949 1.00 0.00 N ATOM 361 CZ ARG A 24 -28.341 2.313 -10.720 1.00 0.00 C ATOM 362 NH1 ARG A 24 -28.011 3.105 -11.702 1.00 0.00 N ATOM 363 NH2 ARG A 24 -28.436 2.784 -9.506 1.00 0.00 N ATOM 0 H ARG A 24 -24.078 -2.651 -9.231 1.00 0.00 H new ATOM 0 HA ARG A 24 -26.952 -3.205 -9.505 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -25.717 -1.199 -8.416 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -25.252 -0.699 -10.030 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -28.173 -1.296 -9.537 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -27.527 0.192 -8.874 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -26.510 0.591 -11.278 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -27.615 -0.660 -11.808 1.00 0.00 H new ATOM 0 HE ARG A 24 -29.533 0.723 -11.071 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -27.936 2.737 -12.650 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -27.828 4.092 -11.522 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -28.693 2.165 -8.737 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -28.253 3.771 -9.326 1.00 0.00 H new ATOM 377 N GLU A 25 -25.181 -2.518 -12.181 1.00 0.00 N ATOM 378 CA GLU A 25 -25.257 -2.564 -13.674 1.00 0.00 C ATOM 379 C GLU A 25 -25.655 -3.969 -14.133 1.00 0.00 C ATOM 380 O GLU A 25 -26.562 -4.137 -14.926 1.00 0.00 O ATOM 381 CB GLU A 25 -23.847 -2.219 -14.162 1.00 0.00 C ATOM 382 CG GLU A 25 -23.568 -0.736 -13.910 1.00 0.00 C ATOM 383 CD GLU A 25 -22.520 -0.236 -14.906 1.00 0.00 C ATOM 384 OE1 GLU A 25 -22.821 -0.205 -16.087 1.00 0.00 O ATOM 385 OE2 GLU A 25 -21.433 0.105 -14.468 1.00 0.00 O ATOM 0 H GLU A 25 -24.260 -2.301 -11.801 1.00 0.00 H new ATOM 0 HA GLU A 25 -26.000 -1.873 -14.071 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -23.111 -2.832 -13.642 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -23.754 -2.442 -15.225 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -24.487 -0.160 -14.014 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -23.214 -0.590 -12.890 1.00 0.00 H new ATOM 392 N GLU A 26 -24.985 -4.976 -13.634 1.00 0.00 N ATOM 393 CA GLU A 26 -25.322 -6.378 -14.031 1.00 0.00 C ATOM 394 C GLU A 26 -26.763 -6.707 -13.627 1.00 0.00 C ATOM 395 O GLU A 26 -27.417 -7.528 -14.241 1.00 0.00 O ATOM 396 CB GLU A 26 -24.335 -7.265 -13.268 1.00 0.00 C ATOM 397 CG GLU A 26 -24.544 -8.726 -13.669 1.00 0.00 C ATOM 398 CD GLU A 26 -23.865 -9.641 -12.648 1.00 0.00 C ATOM 399 OE1 GLU A 26 -24.481 -9.924 -11.634 1.00 0.00 O ATOM 400 OE2 GLU A 26 -22.739 -10.041 -12.897 1.00 0.00 O ATOM 0 H GLU A 26 -24.218 -4.889 -12.968 1.00 0.00 H new ATOM 0 HA GLU A 26 -25.248 -6.528 -15.108 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -23.312 -6.960 -13.487 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -24.480 -7.148 -12.194 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -25.609 -8.950 -13.721 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -24.132 -8.904 -14.662 1.00 0.00 H new ATOM 407 N HIS A 27 -27.260 -6.066 -12.598 1.00 0.00 N ATOM 408 CA HIS A 27 -28.660 -6.331 -12.146 1.00 0.00 C ATOM 409 C HIS A 27 -29.676 -5.624 -13.060 1.00 0.00 C ATOM 410 O HIS A 27 -30.869 -5.825 -12.933 1.00 0.00 O ATOM 411 CB HIS A 27 -28.736 -5.763 -10.728 1.00 0.00 C ATOM 412 CG HIS A 27 -29.992 -6.250 -10.060 1.00 0.00 C ATOM 413 ND1 HIS A 27 -31.293 -5.819 -10.130 1.00 0.00 N flip ATOM 414 CD2 HIS A 27 -29.995 -7.323 -9.183 1.00 0.00 C flip ATOM 415 CE1 HIS A 27 -32.094 -6.610 -9.311 1.00 0.00 C flip ATOM 416 NE2 HIS A 27 -31.261 -7.501 -8.764 1.00 0.00 N flip ATOM 0 H HIS A 27 -26.755 -5.369 -12.051 1.00 0.00 H new ATOM 0 HA HIS A 27 -28.899 -7.394 -12.178 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -27.863 -6.072 -10.154 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -28.727 -4.674 -10.760 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -29.137 -7.910 -8.889 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -33.159 -6.523 -9.152 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -31.550 -8.227 -8.109 1.00 0.00 H new ATOM 424 N LYS A 28 -29.219 -4.799 -13.976 1.00 0.00 N ATOM 425 CA LYS A 28 -30.167 -4.087 -14.887 1.00 0.00 C ATOM 426 C LYS A 28 -30.337 -4.860 -16.201 1.00 0.00 C ATOM 427 O LYS A 28 -30.696 -4.295 -17.217 1.00 0.00 O ATOM 428 CB LYS A 28 -29.518 -2.727 -15.148 1.00 0.00 C ATOM 429 CG LYS A 28 -29.822 -1.783 -13.983 1.00 0.00 C ATOM 430 CD LYS A 28 -29.091 -0.457 -14.195 1.00 0.00 C ATOM 431 CE LYS A 28 -29.832 0.373 -15.246 1.00 0.00 C ATOM 432 NZ LYS A 28 -29.232 1.734 -15.154 1.00 0.00 N ATOM 0 H LYS A 28 -28.232 -4.590 -14.129 1.00 0.00 H new ATOM 0 HA LYS A 28 -31.160 -3.992 -14.449 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -28.440 -2.843 -15.264 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -29.895 -2.305 -16.080 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -30.896 -1.611 -13.912 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -29.509 -2.237 -13.043 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -29.034 0.093 -13.256 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -28.067 -0.642 -14.518 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -29.705 -0.048 -16.243 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -30.903 0.399 -15.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -29.689 2.362 -15.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -29.374 2.112 -14.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -28.213 1.679 -15.357 1.00 0.00 H new ATOM 446 N LYS A 29 -30.088 -6.146 -16.186 1.00 0.00 N ATOM 447 CA LYS A 29 -30.241 -6.960 -17.428 1.00 0.00 C ATOM 448 C LYS A 29 -31.214 -8.114 -17.174 1.00 0.00 C ATOM 449 O LYS A 29 -32.081 -8.397 -17.979 1.00 0.00 O ATOM 450 CB LYS A 29 -28.840 -7.495 -17.726 1.00 0.00 C ATOM 451 CG LYS A 29 -27.942 -6.348 -18.193 1.00 0.00 C ATOM 452 CD LYS A 29 -26.489 -6.825 -18.244 1.00 0.00 C ATOM 453 CE LYS A 29 -25.602 -5.705 -18.795 1.00 0.00 C ATOM 454 NZ LYS A 29 -24.237 -6.296 -18.865 1.00 0.00 N ATOM 0 H LYS A 29 -29.784 -6.667 -15.364 1.00 0.00 H new ATOM 0 HA LYS A 29 -30.639 -6.380 -18.261 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -28.420 -7.959 -16.834 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -28.890 -8.267 -18.494 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -28.257 -6.003 -19.178 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -28.034 -5.500 -17.514 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -26.154 -7.111 -17.247 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -26.408 -7.711 -18.874 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -25.942 -5.379 -19.778 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -25.621 -4.830 -18.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -23.571 -5.588 -19.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -23.937 -6.591 -17.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -24.249 -7.123 -19.496 1.00 0.00 H new ATOM 468 N LYS A 30 -31.073 -8.774 -16.053 1.00 0.00 N ATOM 469 CA LYS A 30 -31.987 -9.911 -15.725 1.00 0.00 C ATOM 470 C LYS A 30 -33.140 -9.437 -14.833 1.00 0.00 C ATOM 471 O LYS A 30 -33.754 -10.223 -14.137 1.00 0.00 O ATOM 472 CB LYS A 30 -31.117 -10.936 -14.984 1.00 0.00 C ATOM 473 CG LYS A 30 -30.499 -10.307 -13.726 1.00 0.00 C ATOM 474 CD LYS A 30 -28.971 -10.407 -13.787 1.00 0.00 C ATOM 475 CE LYS A 30 -28.396 -10.334 -12.372 1.00 0.00 C ATOM 476 NZ LYS A 30 -27.105 -11.073 -12.442 1.00 0.00 N ATOM 0 H LYS A 30 -30.363 -8.574 -15.349 1.00 0.00 H new ATOM 0 HA LYS A 30 -32.438 -10.337 -16.621 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -31.720 -11.801 -14.707 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -30.327 -11.296 -15.643 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -30.800 -9.263 -13.646 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -30.870 -10.815 -12.836 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -28.676 -11.342 -14.262 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -28.567 -9.599 -14.397 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -28.243 -9.301 -12.061 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -29.072 -10.788 -11.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -27.171 -11.941 -11.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -26.900 -11.321 -13.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -26.341 -10.473 -12.070 1.00 0.00 H new ATOM 490 N HIS A 31 -33.444 -8.161 -14.854 1.00 0.00 N ATOM 491 CA HIS A 31 -34.561 -7.636 -14.010 1.00 0.00 C ATOM 492 C HIS A 31 -35.276 -6.484 -14.735 1.00 0.00 C ATOM 493 O HIS A 31 -34.904 -5.338 -14.575 1.00 0.00 O ATOM 494 CB HIS A 31 -33.893 -7.131 -12.729 1.00 0.00 C ATOM 495 CG HIS A 31 -33.216 -8.277 -12.028 1.00 0.00 C ATOM 496 ND1 HIS A 31 -31.922 -8.461 -11.611 1.00 0.00 N flip ATOM 497 CD2 HIS A 31 -33.893 -9.435 -11.683 1.00 0.00 C flip ATOM 498 CE1 HIS A 31 -31.794 -9.713 -11.018 1.00 0.00 C flip ATOM 499 NE2 HIS A 31 -33.010 -10.258 -11.090 1.00 0.00 N flip ATOM 0 H HIS A 31 -32.965 -7.461 -15.420 1.00 0.00 H new ATOM 0 HA HIS A 31 -35.313 -8.398 -13.802 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -33.165 -6.356 -12.968 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -34.637 -6.678 -12.073 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -34.939 -9.640 -11.858 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -30.903 -10.150 -10.592 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -33.242 -11.187 -10.738 1.00 0.00 H new ATOM 507 N PRO A 32 -36.284 -6.817 -15.515 1.00 0.00 N ATOM 508 CA PRO A 32 -37.034 -5.772 -16.256 1.00 0.00 C ATOM 509 C PRO A 32 -37.920 -4.966 -15.301 1.00 0.00 C ATOM 510 O PRO A 32 -37.889 -3.749 -15.294 1.00 0.00 O ATOM 511 CB PRO A 32 -37.884 -6.568 -17.243 1.00 0.00 C ATOM 512 CG PRO A 32 -38.040 -7.919 -16.622 1.00 0.00 C ATOM 513 CD PRO A 32 -36.816 -8.165 -15.779 1.00 0.00 C ATOM 0 HA PRO A 32 -36.383 -5.049 -16.748 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -38.852 -6.093 -17.402 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -37.398 -6.635 -18.217 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -38.942 -7.960 -16.012 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -38.139 -8.686 -17.390 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -37.067 -8.683 -14.853 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -36.089 -8.785 -16.304 1.00 0.00 H new ATOM 521 N ASP A 33 -38.706 -5.636 -14.498 1.00 0.00 N ATOM 522 CA ASP A 33 -39.599 -4.916 -13.541 1.00 0.00 C ATOM 523 C ASP A 33 -39.342 -5.403 -12.111 1.00 0.00 C ATOM 524 O ASP A 33 -40.253 -5.798 -11.407 1.00 0.00 O ATOM 525 CB ASP A 33 -41.020 -5.270 -13.983 1.00 0.00 C ATOM 526 CG ASP A 33 -42.008 -4.280 -13.365 1.00 0.00 C ATOM 527 OD1 ASP A 33 -41.995 -3.129 -13.770 1.00 0.00 O ATOM 528 OD2 ASP A 33 -42.763 -4.691 -12.499 1.00 0.00 O ATOM 0 H ASP A 33 -38.768 -6.654 -14.464 1.00 0.00 H new ATOM 0 HA ASP A 33 -39.428 -3.839 -13.545 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -41.092 -5.241 -15.070 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -41.266 -6.286 -13.674 1.00 0.00 H new ATOM 533 N SER A 34 -38.107 -5.376 -11.681 1.00 0.00 N ATOM 534 CA SER A 34 -37.777 -5.837 -10.299 1.00 0.00 C ATOM 535 C SER A 34 -37.231 -4.679 -9.452 1.00 0.00 C ATOM 536 O SER A 34 -37.232 -4.741 -8.238 1.00 0.00 O ATOM 537 CB SER A 34 -36.706 -6.909 -10.487 1.00 0.00 C ATOM 538 OG SER A 34 -36.853 -7.902 -9.480 1.00 0.00 O ATOM 0 H SER A 34 -37.310 -5.053 -12.230 1.00 0.00 H new ATOM 0 HA SER A 34 -38.656 -6.216 -9.777 1.00 0.00 H new ATOM 0 HB2 SER A 34 -36.797 -7.360 -11.475 1.00 0.00 H new ATOM 0 HB3 SER A 34 -35.714 -6.462 -10.431 1.00 0.00 H new ATOM 0 HG SER A 34 -36.168 -8.593 -9.599 1.00 0.00 H new ATOM 544 N SER A 35 -36.762 -3.622 -10.081 1.00 0.00 N ATOM 545 CA SER A 35 -36.208 -2.455 -9.316 1.00 0.00 C ATOM 546 C SER A 35 -35.081 -2.915 -8.382 1.00 0.00 C ATOM 547 O SER A 35 -34.835 -4.097 -8.233 1.00 0.00 O ATOM 548 CB SER A 35 -37.381 -1.890 -8.508 1.00 0.00 C ATOM 549 OG SER A 35 -38.546 -1.872 -9.322 1.00 0.00 O ATOM 0 H SER A 35 -36.740 -3.518 -11.095 1.00 0.00 H new ATOM 0 HA SER A 35 -35.783 -1.703 -9.981 1.00 0.00 H new ATOM 0 HB2 SER A 35 -37.553 -2.499 -7.620 1.00 0.00 H new ATOM 0 HB3 SER A 35 -37.148 -0.882 -8.163 1.00 0.00 H new ATOM 0 HG SER A 35 -39.299 -1.513 -8.808 1.00 0.00 H new ATOM 555 N VAL A 36 -34.395 -1.989 -7.758 1.00 0.00 N ATOM 556 CA VAL A 36 -33.281 -2.370 -6.837 1.00 0.00 C ATOM 557 C VAL A 36 -32.825 -1.158 -6.012 1.00 0.00 C ATOM 558 O VAL A 36 -31.815 -0.543 -6.300 1.00 0.00 O ATOM 559 CB VAL A 36 -32.157 -2.873 -7.757 1.00 0.00 C ATOM 560 CG1 VAL A 36 -31.733 -1.769 -8.730 1.00 0.00 C ATOM 561 CG2 VAL A 36 -30.950 -3.294 -6.912 1.00 0.00 C ATOM 0 H VAL A 36 -34.559 -0.986 -7.847 1.00 0.00 H new ATOM 0 HA VAL A 36 -33.582 -3.132 -6.118 1.00 0.00 H new ATOM 0 HB VAL A 36 -32.525 -3.727 -8.325 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -30.936 -2.139 -9.375 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -32.587 -1.474 -9.340 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -31.374 -0.907 -8.168 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -30.154 -3.650 -7.566 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -30.592 -2.440 -6.338 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -31.244 -4.092 -6.230 1.00 0.00 H new ATOM 571 N ASN A 37 -33.557 -0.821 -4.979 1.00 0.00 N ATOM 572 CA ASN A 37 -33.162 0.342 -4.120 1.00 0.00 C ATOM 573 C ASN A 37 -31.776 0.093 -3.519 1.00 0.00 C ATOM 574 O ASN A 37 -31.223 -0.983 -3.661 1.00 0.00 O ATOM 575 CB ASN A 37 -34.223 0.409 -3.019 1.00 0.00 C ATOM 576 CG ASN A 37 -34.116 1.747 -2.283 1.00 0.00 C ATOM 577 OD1 ASN A 37 -33.918 2.776 -2.896 1.00 0.00 O ATOM 578 ND2 ASN A 37 -34.240 1.773 -0.984 1.00 0.00 N ATOM 0 H ASN A 37 -34.411 -1.300 -4.692 1.00 0.00 H new ATOM 0 HA ASN A 37 -33.108 1.275 -4.682 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -35.218 0.299 -3.451 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -34.087 -0.415 -2.318 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -34.171 2.659 -0.483 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -34.406 0.908 -0.470 1.00 0.00 H new ATOM 585 N PHE A 38 -31.209 1.069 -2.853 1.00 0.00 N ATOM 586 CA PHE A 38 -29.855 0.868 -2.255 1.00 0.00 C ATOM 587 C PHE A 38 -29.920 -0.151 -1.121 1.00 0.00 C ATOM 588 O PHE A 38 -29.112 -1.042 -1.054 1.00 0.00 O ATOM 589 CB PHE A 38 -29.421 2.229 -1.714 1.00 0.00 C ATOM 590 CG PHE A 38 -29.303 3.206 -2.857 1.00 0.00 C ATOM 591 CD1 PHE A 38 -28.185 3.157 -3.699 1.00 0.00 C ATOM 592 CD2 PHE A 38 -30.306 4.158 -3.079 1.00 0.00 C ATOM 593 CE1 PHE A 38 -28.069 4.059 -4.762 1.00 0.00 C ATOM 594 CE2 PHE A 38 -30.188 5.061 -4.143 1.00 0.00 C ATOM 595 CZ PHE A 38 -29.070 5.010 -4.984 1.00 0.00 C ATOM 0 H PHE A 38 -31.622 1.989 -2.699 1.00 0.00 H new ATOM 0 HA PHE A 38 -29.150 0.488 -2.994 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -30.146 2.591 -0.985 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -28.466 2.140 -1.197 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -27.412 2.422 -3.528 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -31.169 4.196 -2.431 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -27.207 4.021 -5.411 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -30.960 5.797 -4.315 1.00 0.00 H new ATOM 0 HZ PHE A 38 -28.980 5.706 -5.805 1.00 0.00 H new ATOM 605 N ALA A 39 -30.868 -0.024 -0.229 1.00 0.00 N ATOM 606 CA ALA A 39 -30.958 -0.999 0.904 1.00 0.00 C ATOM 607 C ALA A 39 -31.404 -2.368 0.402 1.00 0.00 C ATOM 608 O ALA A 39 -30.910 -3.384 0.849 1.00 0.00 O ATOM 609 CB ALA A 39 -31.987 -0.411 1.870 1.00 0.00 C ATOM 0 H ALA A 39 -31.580 0.706 -0.233 1.00 0.00 H new ATOM 0 HA ALA A 39 -29.993 -1.146 1.388 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -32.104 -1.075 2.726 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -31.647 0.566 2.213 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -32.945 -0.304 1.361 1.00 0.00 H new ATOM 615 N GLU A 40 -32.320 -2.406 -0.528 1.00 0.00 N ATOM 616 CA GLU A 40 -32.778 -3.723 -1.060 1.00 0.00 C ATOM 617 C GLU A 40 -31.622 -4.435 -1.776 1.00 0.00 C ATOM 618 O GLU A 40 -31.688 -5.622 -2.035 1.00 0.00 O ATOM 619 CB GLU A 40 -33.906 -3.395 -2.041 1.00 0.00 C ATOM 620 CG GLU A 40 -35.089 -2.796 -1.277 1.00 0.00 C ATOM 621 CD GLU A 40 -36.372 -2.988 -2.088 1.00 0.00 C ATOM 622 OE1 GLU A 40 -36.873 -4.100 -2.114 1.00 0.00 O ATOM 623 OE2 GLU A 40 -36.832 -2.019 -2.669 1.00 0.00 O ATOM 0 H GLU A 40 -32.769 -1.588 -0.940 1.00 0.00 H new ATOM 0 HA GLU A 40 -33.119 -4.390 -0.268 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -33.553 -2.692 -2.795 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -34.218 -4.297 -2.567 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -35.187 -3.276 -0.303 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -34.917 -1.735 -1.094 1.00 0.00 H new ATOM 630 N PHE A 41 -30.563 -3.723 -2.098 1.00 0.00 N ATOM 631 CA PHE A 41 -29.412 -4.369 -2.793 1.00 0.00 C ATOM 632 C PHE A 41 -28.160 -4.334 -1.911 1.00 0.00 C ATOM 633 O PHE A 41 -27.470 -5.323 -1.758 1.00 0.00 O ATOM 634 CB PHE A 41 -29.207 -3.544 -4.064 1.00 0.00 C ATOM 635 CG PHE A 41 -28.303 -4.290 -5.013 1.00 0.00 C ATOM 636 CD1 PHE A 41 -28.642 -5.582 -5.432 1.00 0.00 C ATOM 637 CD2 PHE A 41 -27.125 -3.691 -5.474 1.00 0.00 C ATOM 638 CE1 PHE A 41 -27.803 -6.275 -6.313 1.00 0.00 C ATOM 639 CE2 PHE A 41 -26.287 -4.383 -6.355 1.00 0.00 C ATOM 640 CZ PHE A 41 -26.625 -5.675 -6.775 1.00 0.00 C ATOM 0 H PHE A 41 -30.452 -2.727 -1.908 1.00 0.00 H new ATOM 0 HA PHE A 41 -29.602 -5.419 -3.015 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -30.167 -3.347 -4.540 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -28.770 -2.577 -3.815 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -29.551 -6.044 -5.076 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -26.863 -2.695 -5.150 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -28.064 -7.272 -6.636 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -25.379 -3.920 -6.711 1.00 0.00 H new ATOM 0 HZ PHE A 41 -25.978 -6.209 -7.455 1.00 0.00 H new ATOM 650 N SER A 42 -27.873 -3.202 -1.326 1.00 0.00 N ATOM 651 CA SER A 42 -26.673 -3.080 -0.435 1.00 0.00 C ATOM 652 C SER A 42 -26.730 -4.138 0.675 1.00 0.00 C ATOM 653 O SER A 42 -25.716 -4.527 1.225 1.00 0.00 O ATOM 654 CB SER A 42 -26.763 -1.669 0.156 1.00 0.00 C ATOM 655 OG SER A 42 -27.846 -1.611 1.073 1.00 0.00 O ATOM 0 H SER A 42 -28.421 -2.347 -1.426 1.00 0.00 H new ATOM 0 HA SER A 42 -25.738 -3.237 -0.972 1.00 0.00 H new ATOM 0 HB2 SER A 42 -25.831 -1.414 0.660 1.00 0.00 H new ATOM 0 HB3 SER A 42 -26.906 -0.938 -0.640 1.00 0.00 H new ATOM 0 HG SER A 42 -28.692 -1.701 0.586 1.00 0.00 H new ATOM 661 N LYS A 43 -27.910 -4.614 0.993 1.00 0.00 N ATOM 662 CA LYS A 43 -28.044 -5.657 2.050 1.00 0.00 C ATOM 663 C LYS A 43 -27.483 -6.987 1.536 1.00 0.00 C ATOM 664 O LYS A 43 -26.990 -7.799 2.297 1.00 0.00 O ATOM 665 CB LYS A 43 -29.550 -5.775 2.309 1.00 0.00 C ATOM 666 CG LYS A 43 -29.914 -5.013 3.586 1.00 0.00 C ATOM 667 CD LYS A 43 -29.547 -5.858 4.808 1.00 0.00 C ATOM 668 CE LYS A 43 -30.589 -6.963 4.997 1.00 0.00 C ATOM 669 NZ LYS A 43 -30.157 -7.692 6.222 1.00 0.00 N ATOM 0 H LYS A 43 -28.787 -4.322 0.562 1.00 0.00 H new ATOM 0 HA LYS A 43 -27.498 -5.402 2.958 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -30.107 -5.373 1.463 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -29.831 -6.824 2.407 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -29.385 -4.061 3.617 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -30.980 -4.786 3.595 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -28.557 -6.296 4.677 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -29.502 -5.230 5.698 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -31.589 -6.547 5.117 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -30.622 -7.627 4.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -30.823 -8.467 6.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -29.204 -8.083 6.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -30.142 -7.036 7.029 1.00 0.00 H new ATOM 683 N LYS A 44 -27.557 -7.209 0.248 1.00 0.00 N ATOM 684 CA LYS A 44 -27.032 -8.480 -0.332 1.00 0.00 C ATOM 685 C LYS A 44 -25.551 -8.325 -0.693 1.00 0.00 C ATOM 686 O LYS A 44 -24.743 -9.189 -0.407 1.00 0.00 O ATOM 687 CB LYS A 44 -27.868 -8.716 -1.590 1.00 0.00 C ATOM 688 CG LYS A 44 -27.674 -10.155 -2.073 1.00 0.00 C ATOM 689 CD LYS A 44 -26.500 -10.210 -3.053 1.00 0.00 C ATOM 690 CE LYS A 44 -26.583 -11.495 -3.879 1.00 0.00 C ATOM 691 NZ LYS A 44 -25.948 -12.540 -3.030 1.00 0.00 N ATOM 0 H LYS A 44 -27.960 -6.561 -0.429 1.00 0.00 H new ATOM 0 HA LYS A 44 -27.103 -9.313 0.367 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -28.921 -8.532 -1.379 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -27.572 -8.016 -2.372 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -27.484 -10.812 -1.224 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -28.583 -10.513 -2.557 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -26.521 -9.341 -3.710 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -25.556 -10.176 -2.509 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -27.617 -11.749 -4.111 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -26.061 -11.388 -4.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -25.967 -13.452 -3.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -24.962 -12.274 -2.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -26.471 -12.625 -2.135 1.00 0.00 H new ATOM 705 N CYS A 45 -25.193 -7.230 -1.318 1.00 0.00 N ATOM 706 CA CYS A 45 -23.760 -7.015 -1.697 1.00 0.00 C ATOM 707 C CYS A 45 -22.882 -6.993 -0.442 1.00 0.00 C ATOM 708 O CYS A 45 -21.722 -7.355 -0.482 1.00 0.00 O ATOM 709 CB CYS A 45 -23.725 -5.658 -2.406 1.00 0.00 C ATOM 710 SG CYS A 45 -24.465 -5.819 -4.050 1.00 0.00 S ATOM 0 H CYS A 45 -25.829 -6.477 -1.582 1.00 0.00 H new ATOM 0 HA CYS A 45 -23.381 -7.811 -2.338 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -24.269 -4.916 -1.822 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -22.697 -5.306 -2.491 1.00 0.00 H new ATOM 0 HG CYS A 45 -25.258 -4.813 -4.269 1.00 0.00 H new ATOM 716 N SER A 46 -23.434 -6.577 0.671 1.00 0.00 N ATOM 717 CA SER A 46 -22.639 -6.538 1.937 1.00 0.00 C ATOM 718 C SER A 46 -22.431 -7.959 2.462 1.00 0.00 C ATOM 719 O SER A 46 -21.388 -8.286 2.996 1.00 0.00 O ATOM 720 CB SER A 46 -23.482 -5.720 2.917 1.00 0.00 C ATOM 721 OG SER A 46 -24.759 -6.328 3.057 1.00 0.00 O ATOM 0 H SER A 46 -24.401 -6.263 0.757 1.00 0.00 H new ATOM 0 HA SER A 46 -21.652 -6.099 1.794 1.00 0.00 H new ATOM 0 HB2 SER A 46 -22.984 -5.665 3.885 1.00 0.00 H new ATOM 0 HB3 SER A 46 -23.591 -4.697 2.556 1.00 0.00 H new ATOM 0 HG SER A 46 -25.428 -5.797 2.577 1.00 0.00 H new ATOM 727 N GLU A 47 -23.418 -8.806 2.306 1.00 0.00 N ATOM 728 CA GLU A 47 -23.284 -10.214 2.787 1.00 0.00 C ATOM 729 C GLU A 47 -22.263 -10.960 1.925 1.00 0.00 C ATOM 730 O GLU A 47 -21.576 -11.850 2.390 1.00 0.00 O ATOM 731 CB GLU A 47 -24.675 -10.831 2.626 1.00 0.00 C ATOM 732 CG GLU A 47 -25.522 -10.506 3.858 1.00 0.00 C ATOM 733 CD GLU A 47 -25.062 -11.366 5.036 1.00 0.00 C ATOM 734 OE1 GLU A 47 -24.086 -10.996 5.668 1.00 0.00 O ATOM 735 OE2 GLU A 47 -25.693 -12.379 5.287 1.00 0.00 O ATOM 0 H GLU A 47 -24.311 -8.582 1.866 1.00 0.00 H new ATOM 0 HA GLU A 47 -22.938 -10.268 3.819 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -25.155 -10.442 1.728 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -24.594 -11.911 2.502 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -25.429 -9.449 4.108 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -26.575 -10.692 3.648 1.00 0.00 H new ATOM 742 N ARG A 48 -22.158 -10.595 0.672 1.00 0.00 N ATOM 743 CA ARG A 48 -21.180 -11.269 -0.232 1.00 0.00 C ATOM 744 C ARG A 48 -19.826 -10.559 -0.156 1.00 0.00 C ATOM 745 O ARG A 48 -18.785 -11.188 -0.173 1.00 0.00 O ATOM 746 CB ARG A 48 -21.779 -11.136 -1.633 1.00 0.00 C ATOM 747 CG ARG A 48 -20.960 -11.970 -2.619 1.00 0.00 C ATOM 748 CD ARG A 48 -21.399 -11.647 -4.049 1.00 0.00 C ATOM 749 NE ARG A 48 -20.333 -12.220 -4.916 1.00 0.00 N ATOM 750 CZ ARG A 48 -20.641 -12.734 -6.075 1.00 0.00 C ATOM 751 NH1 ARG A 48 -20.848 -11.953 -7.100 1.00 0.00 N ATOM 752 NH2 ARG A 48 -20.743 -14.028 -6.209 1.00 0.00 N ATOM 0 H ARG A 48 -22.710 -9.856 0.236 1.00 0.00 H new ATOM 0 HA ARG A 48 -21.011 -12.311 0.039 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -22.816 -11.472 -1.630 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -21.783 -10.090 -1.941 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -19.898 -11.758 -2.497 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -21.098 -13.032 -2.416 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -22.370 -12.088 -4.273 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -21.495 -10.572 -4.199 1.00 0.00 H new ATOM 0 HE ARG A 48 -19.362 -12.211 -4.604 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -20.769 -10.942 -6.995 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -21.089 -12.354 -8.006 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -20.582 -14.638 -5.408 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -20.984 -14.429 -7.115 1.00 0.00 H new ATOM 766 N TRP A 49 -19.838 -9.254 -0.067 1.00 0.00 N ATOM 767 CA TRP A 49 -18.554 -8.489 0.019 1.00 0.00 C ATOM 768 C TRP A 49 -17.803 -8.877 1.299 1.00 0.00 C ATOM 769 O TRP A 49 -16.651 -9.264 1.260 1.00 0.00 O ATOM 770 CB TRP A 49 -18.973 -7.011 0.055 1.00 0.00 C ATOM 771 CG TRP A 49 -17.767 -6.135 0.197 1.00 0.00 C ATOM 772 CD1 TRP A 49 -17.426 -5.463 1.321 1.00 0.00 C ATOM 773 CD2 TRP A 49 -16.743 -5.824 -0.792 1.00 0.00 C ATOM 774 NE1 TRP A 49 -16.259 -4.760 1.085 1.00 0.00 N ATOM 775 CE2 TRP A 49 -15.798 -4.950 -0.202 1.00 0.00 C ATOM 776 CE3 TRP A 49 -16.544 -6.210 -2.129 1.00 0.00 C ATOM 777 CZ2 TRP A 49 -14.696 -4.478 -0.913 1.00 0.00 C ATOM 778 CZ3 TRP A 49 -15.435 -5.736 -2.848 1.00 0.00 C ATOM 779 CH2 TRP A 49 -14.512 -4.872 -2.241 1.00 0.00 C ATOM 0 H TRP A 49 -20.683 -8.682 -0.050 1.00 0.00 H new ATOM 0 HA TRP A 49 -17.885 -8.696 -0.817 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -19.511 -6.756 -0.858 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -19.656 -6.839 0.887 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -17.976 -5.474 2.251 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -15.795 -4.172 1.778 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -17.248 -6.875 -2.606 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -13.989 -3.812 -0.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -15.292 -6.039 -3.875 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -13.660 -4.512 -2.799 1.00 0.00 H new ATOM 790 N LYS A 50 -18.454 -8.770 2.429 1.00 0.00 N ATOM 791 CA LYS A 50 -17.789 -9.127 3.720 1.00 0.00 C ATOM 792 C LYS A 50 -17.354 -10.597 3.712 1.00 0.00 C ATOM 793 O LYS A 50 -16.428 -10.979 4.402 1.00 0.00 O ATOM 794 CB LYS A 50 -18.851 -8.887 4.796 1.00 0.00 C ATOM 795 CG LYS A 50 -18.798 -7.426 5.248 1.00 0.00 C ATOM 796 CD LYS A 50 -19.757 -7.219 6.421 1.00 0.00 C ATOM 797 CE LYS A 50 -19.233 -7.970 7.648 1.00 0.00 C ATOM 798 NZ LYS A 50 -20.115 -7.537 8.768 1.00 0.00 N ATOM 0 H LYS A 50 -19.419 -8.450 2.514 1.00 0.00 H new ATOM 0 HA LYS A 50 -16.891 -8.535 3.894 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -19.841 -9.122 4.404 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -18.679 -9.548 5.645 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -17.783 -7.163 5.544 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -19.070 -6.769 4.422 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -19.851 -6.156 6.645 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -20.752 -7.579 6.159 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -19.282 -9.049 7.501 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -18.190 -7.722 7.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -19.819 -8.010 9.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -20.043 -6.506 8.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -21.100 -7.792 8.553 1.00 0.00 H new ATOM 812 N THR A 51 -18.017 -11.420 2.939 1.00 0.00 N ATOM 813 CA THR A 51 -17.648 -12.868 2.883 1.00 0.00 C ATOM 814 C THR A 51 -16.710 -13.152 1.700 1.00 0.00 C ATOM 815 O THR A 51 -16.079 -14.191 1.641 1.00 0.00 O ATOM 816 CB THR A 51 -18.975 -13.606 2.700 1.00 0.00 C ATOM 817 OG1 THR A 51 -19.621 -13.129 1.529 1.00 0.00 O ATOM 818 CG2 THR A 51 -19.870 -13.361 3.916 1.00 0.00 C ATOM 0 H THR A 51 -18.800 -11.151 2.343 1.00 0.00 H new ATOM 0 HA THR A 51 -17.117 -13.185 3.781 1.00 0.00 H new ATOM 0 HB THR A 51 -18.787 -14.675 2.602 1.00 0.00 H new ATOM 0 HG1 THR A 51 -20.576 -13.002 1.711 1.00 0.00 H new ATOM 0 HG21 THR A 51 -20.815 -13.888 3.784 1.00 0.00 H new ATOM 0 HG22 THR A 51 -19.372 -13.728 4.814 1.00 0.00 H new ATOM 0 HG23 THR A 51 -20.061 -12.293 4.018 1.00 0.00 H new ATOM 826 N MET A 52 -16.615 -12.243 0.756 1.00 0.00 N ATOM 827 CA MET A 52 -15.718 -12.469 -0.424 1.00 0.00 C ATOM 828 C MET A 52 -14.278 -12.715 0.034 1.00 0.00 C ATOM 829 O MET A 52 -13.934 -12.488 1.179 1.00 0.00 O ATOM 830 CB MET A 52 -15.804 -11.179 -1.250 1.00 0.00 C ATOM 831 CG MET A 52 -16.977 -11.269 -2.242 1.00 0.00 C ATOM 832 SD MET A 52 -16.384 -11.040 -3.940 1.00 0.00 S ATOM 833 CE MET A 52 -16.049 -9.265 -3.827 1.00 0.00 C ATOM 0 H MET A 52 -17.119 -11.356 0.752 1.00 0.00 H new ATOM 0 HA MET A 52 -16.019 -13.344 -1.001 1.00 0.00 H new ATOM 0 HB2 MET A 52 -15.940 -10.323 -0.590 1.00 0.00 H new ATOM 0 HB3 MET A 52 -14.871 -11.020 -1.790 1.00 0.00 H new ATOM 0 HG2 MET A 52 -17.468 -12.238 -2.148 1.00 0.00 H new ATOM 0 HG3 MET A 52 -17.722 -10.510 -2.004 1.00 0.00 H new ATOM 0 HE1 MET A 52 -16.120 -8.818 -4.818 1.00 0.00 H new ATOM 0 HE2 MET A 52 -16.779 -8.798 -3.165 1.00 0.00 H new ATOM 0 HE3 MET A 52 -15.046 -9.109 -3.429 1.00 0.00 H new ATOM 843 N SER A 53 -13.437 -13.182 -0.854 1.00 0.00 N ATOM 844 CA SER A 53 -12.016 -13.450 -0.479 1.00 0.00 C ATOM 845 C SER A 53 -11.134 -12.252 -0.841 1.00 0.00 C ATOM 846 O SER A 53 -11.577 -11.313 -1.476 1.00 0.00 O ATOM 847 CB SER A 53 -11.617 -14.677 -1.300 1.00 0.00 C ATOM 848 OG SER A 53 -12.497 -15.750 -0.996 1.00 0.00 O ATOM 0 H SER A 53 -13.674 -13.389 -1.824 1.00 0.00 H new ATOM 0 HA SER A 53 -11.897 -13.617 0.592 1.00 0.00 H new ATOM 0 HB2 SER A 53 -11.660 -14.447 -2.364 1.00 0.00 H new ATOM 0 HB3 SER A 53 -10.588 -14.960 -1.076 1.00 0.00 H new ATOM 0 HG SER A 53 -12.246 -16.538 -1.522 1.00 0.00 H new ATOM 854 N ALA A 54 -9.889 -12.282 -0.439 1.00 0.00 N ATOM 855 CA ALA A 54 -8.966 -11.147 -0.753 1.00 0.00 C ATOM 856 C ALA A 54 -8.660 -11.103 -2.254 1.00 0.00 C ATOM 857 O ALA A 54 -8.321 -10.066 -2.793 1.00 0.00 O ATOM 858 CB ALA A 54 -7.691 -11.432 0.044 1.00 0.00 C ATOM 0 H ALA A 54 -9.470 -13.044 0.094 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.403 -10.184 -0.491 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.965 -10.640 -0.136 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.928 -11.472 1.107 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.271 -12.387 -0.271 1.00 0.00 H new ATOM 864 N LYS A 55 -8.777 -12.219 -2.932 1.00 0.00 N ATOM 865 CA LYS A 55 -8.494 -12.240 -4.400 1.00 0.00 C ATOM 866 C LYS A 55 -9.568 -11.449 -5.148 1.00 0.00 C ATOM 867 O LYS A 55 -9.313 -10.861 -6.183 1.00 0.00 O ATOM 868 CB LYS A 55 -8.540 -13.716 -4.801 1.00 0.00 C ATOM 869 CG LYS A 55 -7.237 -14.400 -4.380 1.00 0.00 C ATOM 870 CD LYS A 55 -7.299 -15.885 -4.746 1.00 0.00 C ATOM 871 CE LYS A 55 -5.913 -16.511 -4.574 1.00 0.00 C ATOM 872 NZ LYS A 55 -6.162 -17.979 -4.511 1.00 0.00 N ATOM 0 H LYS A 55 -9.056 -13.115 -2.532 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.532 -11.788 -4.641 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.390 -14.206 -4.327 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.679 -13.807 -5.878 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.389 -13.927 -4.876 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.084 -14.285 -3.307 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.022 -16.397 -4.111 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.638 -16.003 -5.775 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.258 -16.257 -5.407 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.427 -16.153 -3.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.258 -18.480 -4.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.783 -18.191 -3.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.619 -18.292 -5.391 1.00 0.00 H new ATOM 886 N GLU A 56 -10.767 -11.430 -4.626 1.00 0.00 N ATOM 887 CA GLU A 56 -11.871 -10.679 -5.292 1.00 0.00 C ATOM 888 C GLU A 56 -12.009 -9.290 -4.664 1.00 0.00 C ATOM 889 O GLU A 56 -12.252 -8.312 -5.346 1.00 0.00 O ATOM 890 CB GLU A 56 -13.124 -11.513 -5.032 1.00 0.00 C ATOM 891 CG GLU A 56 -13.167 -12.683 -6.017 1.00 0.00 C ATOM 892 CD GLU A 56 -14.575 -13.280 -6.041 1.00 0.00 C ATOM 893 OE1 GLU A 56 -15.024 -13.729 -4.999 1.00 0.00 O ATOM 894 OE2 GLU A 56 -15.180 -13.278 -7.099 1.00 0.00 O ATOM 0 H GLU A 56 -11.029 -11.905 -3.762 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.694 -10.532 -6.357 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.121 -11.885 -4.008 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.015 -10.896 -5.144 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.888 -12.343 -7.014 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.443 -13.444 -5.726 1.00 0.00 H new ATOM 901 N LYS A 57 -11.848 -9.202 -3.370 1.00 0.00 N ATOM 902 CA LYS A 57 -11.960 -7.878 -2.683 1.00 0.00 C ATOM 903 C LYS A 57 -10.772 -6.980 -3.049 1.00 0.00 C ATOM 904 O LYS A 57 -10.829 -5.774 -2.887 1.00 0.00 O ATOM 905 CB LYS A 57 -11.946 -8.201 -1.187 1.00 0.00 C ATOM 906 CG LYS A 57 -13.381 -8.357 -0.682 1.00 0.00 C ATOM 907 CD LYS A 57 -13.397 -8.289 0.846 1.00 0.00 C ATOM 908 CE LYS A 57 -13.091 -9.674 1.422 1.00 0.00 C ATOM 909 NZ LYS A 57 -12.548 -9.412 2.785 1.00 0.00 N ATOM 0 H LYS A 57 -11.643 -9.991 -2.756 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.862 -7.342 -2.977 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.385 -9.118 -1.008 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.441 -7.406 -0.638 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.011 -7.571 -1.098 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.794 -9.308 -1.018 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.660 -7.567 1.196 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.371 -7.945 1.195 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.989 -10.290 1.466 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.368 -10.208 0.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.314 -10.315 3.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.690 -8.829 2.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.260 -8.909 3.352 1.00 0.00 H new ATOM 923 N SER A 58 -9.697 -7.554 -3.536 1.00 0.00 N ATOM 924 CA SER A 58 -8.507 -6.728 -3.909 1.00 0.00 C ATOM 925 C SER A 58 -8.727 -6.059 -5.268 1.00 0.00 C ATOM 926 O SER A 58 -8.214 -4.987 -5.531 1.00 0.00 O ATOM 927 CB SER A 58 -7.343 -7.717 -3.982 1.00 0.00 C ATOM 928 OG SER A 58 -7.695 -8.793 -4.842 1.00 0.00 O ATOM 0 H SER A 58 -9.593 -8.557 -3.691 1.00 0.00 H new ATOM 0 HA SER A 58 -8.320 -5.930 -3.190 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.448 -7.217 -4.353 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.108 -8.094 -2.987 1.00 0.00 H new ATOM 0 HG SER A 58 -7.663 -9.635 -4.342 1.00 0.00 H new ATOM 934 N LYS A 59 -9.484 -6.685 -6.133 1.00 0.00 N ATOM 935 CA LYS A 59 -9.741 -6.088 -7.481 1.00 0.00 C ATOM 936 C LYS A 59 -10.487 -4.759 -7.337 1.00 0.00 C ATOM 937 O LYS A 59 -10.353 -3.871 -8.158 1.00 0.00 O ATOM 938 CB LYS A 59 -10.610 -7.111 -8.218 1.00 0.00 C ATOM 939 CG LYS A 59 -10.681 -6.744 -9.702 1.00 0.00 C ATOM 940 CD LYS A 59 -11.356 -7.877 -10.477 1.00 0.00 C ATOM 941 CE LYS A 59 -11.613 -7.429 -11.918 1.00 0.00 C ATOM 942 NZ LYS A 59 -11.791 -8.693 -12.687 1.00 0.00 N ATOM 0 H LYS A 59 -9.936 -7.584 -5.965 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.816 -5.880 -8.019 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.193 -8.111 -8.099 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.612 -7.130 -7.789 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.240 -5.817 -9.832 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.678 -6.569 -10.092 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.723 -8.765 -10.468 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.296 -8.150 -9.997 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.500 -6.799 -11.983 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.778 -6.845 -12.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.972 -8.469 -13.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -10.929 -9.269 -12.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.597 -9.224 -12.300 1.00 0.00 H new ATOM 956 N PHE A 60 -11.271 -4.620 -6.299 1.00 0.00 N ATOM 957 CA PHE A 60 -12.032 -3.352 -6.090 1.00 0.00 C ATOM 958 C PHE A 60 -11.250 -2.409 -5.173 1.00 0.00 C ATOM 959 O PHE A 60 -11.368 -1.201 -5.265 1.00 0.00 O ATOM 960 CB PHE A 60 -13.341 -3.782 -5.428 1.00 0.00 C ATOM 961 CG PHE A 60 -14.301 -4.276 -6.484 1.00 0.00 C ATOM 962 CD1 PHE A 60 -14.786 -3.393 -7.456 1.00 0.00 C ATOM 963 CD2 PHE A 60 -14.703 -5.617 -6.492 1.00 0.00 C ATOM 964 CE1 PHE A 60 -15.675 -3.851 -8.436 1.00 0.00 C ATOM 965 CE2 PHE A 60 -15.592 -6.074 -7.472 1.00 0.00 C ATOM 966 CZ PHE A 60 -16.078 -5.192 -8.444 1.00 0.00 C ATOM 0 H PHE A 60 -11.417 -5.333 -5.584 1.00 0.00 H new ATOM 0 HA PHE A 60 -12.204 -2.815 -7.023 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -13.150 -4.569 -4.698 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -13.779 -2.944 -4.886 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -14.475 -2.359 -7.450 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -14.328 -6.298 -5.743 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -16.050 -3.170 -9.186 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -15.903 -7.108 -7.478 1.00 0.00 H new ATOM 0 HZ PHE A 60 -16.764 -5.546 -9.200 1.00 0.00 H new ATOM 976 N GLU A 61 -10.452 -2.954 -4.289 1.00 0.00 N ATOM 977 CA GLU A 61 -9.655 -2.095 -3.360 1.00 0.00 C ATOM 978 C GLU A 61 -8.511 -1.417 -4.118 1.00 0.00 C ATOM 979 O GLU A 61 -8.080 -0.334 -3.767 1.00 0.00 O ATOM 980 CB GLU A 61 -9.104 -3.051 -2.301 1.00 0.00 C ATOM 981 CG GLU A 61 -8.662 -2.255 -1.073 1.00 0.00 C ATOM 982 CD GLU A 61 -8.417 -3.212 0.096 1.00 0.00 C ATOM 983 OE1 GLU A 61 -9.388 -3.702 0.649 1.00 0.00 O ATOM 984 OE2 GLU A 61 -7.262 -3.438 0.418 1.00 0.00 O ATOM 0 H GLU A 61 -10.318 -3.958 -4.170 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.257 -1.302 -2.916 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.866 -3.778 -2.021 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.262 -3.612 -2.706 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.753 -1.697 -1.296 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.426 -1.525 -0.805 1.00 0.00 H new ATOM 991 N ASP A 62 -8.019 -2.047 -5.154 1.00 0.00 N ATOM 992 CA ASP A 62 -6.902 -1.447 -5.943 1.00 0.00 C ATOM 993 C ASP A 62 -7.444 -0.385 -6.905 1.00 0.00 C ATOM 994 O ASP A 62 -6.754 0.555 -7.255 1.00 0.00 O ATOM 995 CB ASP A 62 -6.291 -2.614 -6.720 1.00 0.00 C ATOM 996 CG ASP A 62 -4.877 -2.243 -7.169 1.00 0.00 C ATOM 997 OD1 ASP A 62 -4.020 -2.107 -6.311 1.00 0.00 O ATOM 998 OD2 ASP A 62 -4.673 -2.102 -8.364 1.00 0.00 O ATOM 0 H ASP A 62 -8.344 -2.954 -5.488 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.167 -0.953 -5.307 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.263 -3.506 -6.095 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.909 -2.851 -7.586 1.00 0.00 H new ATOM 1003 N MET A 63 -8.672 -0.529 -7.332 1.00 0.00 N ATOM 1004 CA MET A 63 -9.267 0.469 -8.271 1.00 0.00 C ATOM 1005 C MET A 63 -9.719 1.714 -7.505 1.00 0.00 C ATOM 1006 O MET A 63 -9.739 2.808 -8.038 1.00 0.00 O ATOM 1007 CB MET A 63 -10.469 -0.239 -8.900 1.00 0.00 C ATOM 1008 CG MET A 63 -9.980 -1.277 -9.910 1.00 0.00 C ATOM 1009 SD MET A 63 -11.399 -1.992 -10.776 1.00 0.00 S ATOM 1010 CE MET A 63 -10.522 -2.487 -12.279 1.00 0.00 C ATOM 0 H MET A 63 -9.290 -1.297 -7.070 1.00 0.00 H new ATOM 0 HA MET A 63 -8.552 0.801 -9.023 1.00 0.00 H new ATOM 0 HB2 MET A 63 -11.065 -0.722 -8.126 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.115 0.487 -9.393 1.00 0.00 H new ATOM 0 HG2 MET A 63 -9.301 -0.813 -10.625 1.00 0.00 H new ATOM 0 HG3 MET A 63 -9.419 -2.060 -9.400 1.00 0.00 H new ATOM 0 HE1 MET A 63 -11.221 -2.960 -12.969 1.00 0.00 H new ATOM 0 HE2 MET A 63 -10.085 -1.607 -12.752 1.00 0.00 H new ATOM 0 HE3 MET A 63 -9.731 -3.192 -12.023 1.00 0.00 H new ATOM 1020 N ALA A 64 -10.080 1.554 -6.256 1.00 0.00 N ATOM 1021 CA ALA A 64 -10.533 2.725 -5.445 1.00 0.00 C ATOM 1022 C ALA A 64 -9.324 3.532 -4.965 1.00 0.00 C ATOM 1023 O ALA A 64 -9.391 4.739 -4.823 1.00 0.00 O ATOM 1024 CB ALA A 64 -11.281 2.122 -4.255 1.00 0.00 C ATOM 0 H ALA A 64 -10.080 0.661 -5.763 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.164 3.404 -6.018 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.645 2.922 -3.611 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.125 1.534 -4.616 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.607 1.479 -3.689 1.00 0.00 H new ATOM 1030 N LYS A 65 -8.221 2.873 -4.716 1.00 0.00 N ATOM 1031 CA LYS A 65 -7.000 3.597 -4.245 1.00 0.00 C ATOM 1032 C LYS A 65 -6.417 4.443 -5.380 1.00 0.00 C ATOM 1033 O LYS A 65 -5.803 5.467 -5.149 1.00 0.00 O ATOM 1034 CB LYS A 65 -6.015 2.500 -3.833 1.00 0.00 C ATOM 1035 CG LYS A 65 -4.833 3.127 -3.091 1.00 0.00 C ATOM 1036 CD LYS A 65 -5.227 3.398 -1.637 1.00 0.00 C ATOM 1037 CE LYS A 65 -4.006 3.891 -0.860 1.00 0.00 C ATOM 1038 NZ LYS A 65 -3.290 2.654 -0.441 1.00 0.00 N ATOM 0 H LYS A 65 -8.112 1.864 -4.818 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.218 4.276 -3.420 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.513 1.770 -3.194 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.662 1.964 -4.714 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.972 2.459 -3.127 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.536 4.056 -3.578 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.021 4.143 -1.597 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.619 2.489 -1.180 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.372 4.523 -1.482 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.302 4.487 0.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.264 2.819 -0.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.569 2.403 0.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.536 1.875 -1.085 1.00 0.00 H new ATOM 1052 N SER A 66 -6.606 4.018 -6.604 1.00 0.00 N ATOM 1053 CA SER A 66 -6.065 4.794 -7.763 1.00 0.00 C ATOM 1054 C SER A 66 -6.713 6.179 -7.818 1.00 0.00 C ATOM 1055 O SER A 66 -6.055 7.171 -8.073 1.00 0.00 O ATOM 1056 CB SER A 66 -6.437 3.980 -9.003 1.00 0.00 C ATOM 1057 OG SER A 66 -5.736 4.493 -10.129 1.00 0.00 O ATOM 0 H SER A 66 -7.111 3.167 -6.851 1.00 0.00 H new ATOM 0 HA SER A 66 -4.988 4.947 -7.688 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.187 2.930 -8.852 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.512 4.030 -9.176 1.00 0.00 H new ATOM 0 HG SER A 66 -5.971 3.973 -10.925 1.00 0.00 H new ATOM 1063 N ASP A 67 -7.999 6.252 -7.581 1.00 0.00 N ATOM 1064 CA ASP A 67 -8.700 7.570 -7.616 1.00 0.00 C ATOM 1065 C ASP A 67 -8.529 8.295 -6.279 1.00 0.00 C ATOM 1066 O ASP A 67 -8.524 9.510 -6.219 1.00 0.00 O ATOM 1067 CB ASP A 67 -10.171 7.230 -7.858 1.00 0.00 C ATOM 1068 CG ASP A 67 -10.915 8.484 -8.322 1.00 0.00 C ATOM 1069 OD1 ASP A 67 -10.907 8.748 -9.512 1.00 0.00 O ATOM 1070 OD2 ASP A 67 -11.482 9.158 -7.477 1.00 0.00 O ATOM 0 H ASP A 67 -8.594 5.453 -7.364 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.302 8.229 -8.388 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.255 6.445 -8.610 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -10.621 6.845 -6.943 1.00 0.00 H new ATOM 1075 N LYS A 68 -8.387 7.555 -5.208 1.00 0.00 N ATOM 1076 CA LYS A 68 -8.213 8.194 -3.866 1.00 0.00 C ATOM 1077 C LYS A 68 -6.909 8.995 -3.828 1.00 0.00 C ATOM 1078 O LYS A 68 -6.793 9.973 -3.115 1.00 0.00 O ATOM 1079 CB LYS A 68 -8.158 7.033 -2.870 1.00 0.00 C ATOM 1080 CG LYS A 68 -8.740 7.481 -1.528 1.00 0.00 C ATOM 1081 CD LYS A 68 -8.188 6.594 -0.411 1.00 0.00 C ATOM 1082 CE LYS A 68 -8.525 7.212 0.948 1.00 0.00 C ATOM 1083 NZ LYS A 68 -9.957 6.874 1.179 1.00 0.00 N ATOM 0 H LYS A 68 -8.384 6.535 -5.204 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.021 8.888 -3.634 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.720 6.182 -3.256 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.128 6.701 -2.739 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.485 8.524 -1.339 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.828 7.419 -1.552 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -8.614 5.593 -0.483 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.108 6.489 -0.516 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.891 6.804 1.735 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.370 8.291 0.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -10.485 7.739 1.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -10.356 6.446 0.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -10.032 6.200 1.967 1.00 0.00 H new ATOM 1097 N ALA A 69 -5.928 8.582 -4.592 1.00 0.00 N ATOM 1098 CA ALA A 69 -4.626 9.313 -4.607 1.00 0.00 C ATOM 1099 C ALA A 69 -4.595 10.316 -5.762 1.00 0.00 C ATOM 1100 O ALA A 69 -3.941 11.340 -5.688 1.00 0.00 O ATOM 1101 CB ALA A 69 -3.567 8.229 -4.809 1.00 0.00 C ATOM 0 H ALA A 69 -5.974 7.769 -5.206 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.460 9.880 -3.691 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.578 8.686 -4.832 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.617 7.514 -3.988 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.750 7.713 -5.752 1.00 0.00 H new ATOM 1107 N ARG A 70 -5.300 10.029 -6.827 1.00 0.00 N ATOM 1108 CA ARG A 70 -5.320 10.963 -7.994 1.00 0.00 C ATOM 1109 C ARG A 70 -6.106 12.230 -7.644 1.00 0.00 C ATOM 1110 O ARG A 70 -5.857 13.293 -8.182 1.00 0.00 O ATOM 1111 CB ARG A 70 -6.019 10.192 -9.116 1.00 0.00 C ATOM 1112 CG ARG A 70 -4.971 9.513 -10.000 1.00 0.00 C ATOM 1113 CD ARG A 70 -5.659 8.508 -10.928 1.00 0.00 C ATOM 1114 NE ARG A 70 -4.659 8.222 -11.994 1.00 0.00 N ATOM 1115 CZ ARG A 70 -5.047 8.081 -13.231 1.00 0.00 C ATOM 1116 NH1 ARG A 70 -5.704 9.039 -13.824 1.00 0.00 N ATOM 1117 NH2 ARG A 70 -4.778 6.979 -13.877 1.00 0.00 N ATOM 0 H ARG A 70 -5.864 9.186 -6.939 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.318 11.279 -8.283 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.692 9.446 -8.694 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.629 10.871 -9.713 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.436 10.260 -10.587 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.231 9.005 -9.381 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.935 7.600 -10.392 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.576 8.922 -11.348 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.671 8.136 -11.757 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.915 9.900 -13.320 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.007 8.927 -14.792 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.265 6.229 -13.414 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.081 6.868 -14.845 1.00 0.00 H new ATOM 1131 N TYR A 71 -7.051 12.122 -6.745 1.00 0.00 N ATOM 1132 CA TYR A 71 -7.860 13.318 -6.352 1.00 0.00 C ATOM 1133 C TYR A 71 -7.029 14.273 -5.483 1.00 0.00 C ATOM 1134 O TYR A 71 -7.379 15.426 -5.315 1.00 0.00 O ATOM 1135 CB TYR A 71 -9.042 12.756 -5.553 1.00 0.00 C ATOM 1136 CG TYR A 71 -10.292 12.777 -6.403 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -10.395 11.933 -7.515 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -11.346 13.639 -6.078 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -11.553 11.952 -8.303 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -12.503 13.658 -6.865 1.00 0.00 C ATOM 1141 CZ TYR A 71 -12.606 12.815 -7.978 1.00 0.00 C ATOM 1142 OH TYR A 71 -13.748 12.833 -8.754 1.00 0.00 O ATOM 0 H TYR A 71 -7.298 11.257 -6.265 1.00 0.00 H new ATOM 0 HA TYR A 71 -8.187 13.890 -7.220 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -8.825 11.736 -5.234 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -9.196 13.346 -4.650 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -9.582 11.268 -7.765 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -11.266 14.290 -5.220 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -11.633 11.301 -9.161 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -13.316 14.323 -6.614 1.00 0.00 H new ATOM 0 HH TYR A 71 -14.381 13.487 -8.390 1.00 0.00 H new