USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 272 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 129 CYS SG : rot -155:sc= -3.2! USER MOD Set 1.2: A 132 CYS SG : rot 102:sc= -2.51! USER MOD Set 1.3: A 134 SER OG : rot -159:sc= 2.61 USER MOD Set 1.4: A 154 CYS SG : rot 125:sc= -6.09! USER MOD Set 1.5: A 157 CYS SG : rot -65:sc= -3.56! USER MOD Set 1.6: A 159 THR OG1 : rot 106:sc= -2.13! USER MOD Set 2.1: A 149 THR OG1 : rot -75:sc= 0.859 USER MOD Set 2.2: A 151 THR OG1 : rot -171:sc= -0.789 USER MOD Set 3.1: A 128 LYS NZ :NH3+ 146:sc= 0.758 (180deg=0) USER MOD Set 3.2: A 135 THR OG1 : rot 180:sc= -0.431 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot 49:sc= -0.502! USER MOD Single : A 137 THR OG1 : rot -170:sc= -0.0587 USER MOD Single : A 142 ASN : amide:sc= -4.35! C(o=-4.3!,f=-13!) USER MOD Single : A 143 GLN : amide:sc= -6.48! C(o=-6.5!,f=-6.2!) USER MOD Single : A 148 MET CE :methyl -118:sc= -0.0109 (180deg=-0.0151) USER MOD Single : A 155 THR OG1 : rot -140:sc= -1.21 USER MOD Single : A 158 HIS : no HD1:sc= -0.0333 X(o=-0.033,f=0) USER MOD ----------------------------------------------------------------- ATOM 211 N SER A 126 8.556 3.677 0.319 1.00 0.00 N ATOM 212 CA SER A 126 9.167 3.071 1.537 1.00 0.00 C ATOM 213 C SER A 126 10.620 3.525 1.680 1.00 0.00 C ATOM 214 O SER A 126 11.476 3.164 0.896 1.00 0.00 O ATOM 215 CB SER A 126 9.097 1.564 1.311 1.00 0.00 C ATOM 216 OG SER A 126 9.939 0.908 2.251 1.00 0.00 O ATOM 0 HA SER A 126 8.649 3.369 2.449 1.00 0.00 H new ATOM 0 HB2 SER A 126 8.070 1.216 1.420 1.00 0.00 H new ATOM 0 HB3 SER A 126 9.409 1.322 0.295 1.00 0.00 H new ATOM 0 HG SER A 126 9.895 -0.061 2.109 1.00 0.00 H new ATOM 222 N PHE A 127 10.905 4.314 2.678 1.00 0.00 N ATOM 223 CA PHE A 127 12.300 4.793 2.877 1.00 0.00 C ATOM 224 C PHE A 127 12.974 4.009 4.006 1.00 0.00 C ATOM 225 O PHE A 127 12.322 3.497 4.894 1.00 0.00 O ATOM 226 CB PHE A 127 12.158 6.265 3.262 1.00 0.00 C ATOM 227 CG PHE A 127 11.241 6.958 2.283 1.00 0.00 C ATOM 228 CD1 PHE A 127 9.855 6.933 2.484 1.00 0.00 C ATOM 229 CD2 PHE A 127 11.775 7.627 1.176 1.00 0.00 C ATOM 230 CE1 PHE A 127 9.004 7.577 1.578 1.00 0.00 C ATOM 231 CE2 PHE A 127 10.924 8.271 0.269 1.00 0.00 C ATOM 232 CZ PHE A 127 9.539 8.246 0.470 1.00 0.00 C ATOM 0 H PHE A 127 10.230 4.648 3.366 1.00 0.00 H new ATOM 0 HA PHE A 127 12.914 4.658 1.986 1.00 0.00 H new ATOM 0 HB2 PHE A 127 11.759 6.350 4.273 1.00 0.00 H new ATOM 0 HB3 PHE A 127 13.136 6.747 3.264 1.00 0.00 H new ATOM 0 HD1 PHE A 127 9.443 6.417 3.338 1.00 0.00 H new ATOM 0 HD2 PHE A 127 12.844 7.647 1.021 1.00 0.00 H new ATOM 0 HE1 PHE A 127 7.935 7.558 1.733 1.00 0.00 H new ATOM 0 HE2 PHE A 127 11.336 8.787 -0.585 1.00 0.00 H new ATOM 0 HZ PHE A 127 8.883 8.743 -0.229 1.00 0.00 H new ATOM 242 N LYS A 128 14.275 3.917 3.981 1.00 0.00 N ATOM 243 CA LYS A 128 14.990 3.173 5.052 1.00 0.00 C ATOM 244 C LYS A 128 16.167 4.006 5.569 1.00 0.00 C ATOM 245 O LYS A 128 16.875 4.640 4.812 1.00 0.00 O ATOM 246 CB LYS A 128 15.469 1.876 4.387 1.00 0.00 C ATOM 247 CG LYS A 128 16.686 1.318 5.132 1.00 0.00 C ATOM 248 CD LYS A 128 16.490 -0.176 5.390 1.00 0.00 C ATOM 249 CE LYS A 128 16.404 -0.426 6.897 1.00 0.00 C ATOM 250 NZ LYS A 128 15.173 -1.243 7.082 1.00 0.00 N ATOM 0 H LYS A 128 14.873 4.326 3.263 1.00 0.00 H new ATOM 0 HA LYS A 128 14.357 2.963 5.914 1.00 0.00 H new ATOM 0 HB2 LYS A 128 14.665 1.140 4.387 1.00 0.00 H new ATOM 0 HB3 LYS A 128 15.727 2.067 3.345 1.00 0.00 H new ATOM 0 HG2 LYS A 128 17.590 1.480 4.545 1.00 0.00 H new ATOM 0 HG3 LYS A 128 16.820 1.846 6.076 1.00 0.00 H new ATOM 0 HD2 LYS A 128 15.581 -0.524 4.900 1.00 0.00 H new ATOM 0 HD3 LYS A 128 17.318 -0.741 4.963 1.00 0.00 H new ATOM 0 HE2 LYS A 128 17.286 -0.953 7.261 1.00 0.00 H new ATOM 0 HE3 LYS A 128 16.342 0.511 7.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 15.314 -1.910 7.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 14.371 -0.618 7.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 14.974 -1.773 6.210 1.00 0.00 H new ATOM 264 N CYS A 129 16.373 4.009 6.856 1.00 0.00 N ATOM 265 CA CYS A 129 17.494 4.797 7.437 1.00 0.00 C ATOM 266 C CYS A 129 18.778 3.962 7.457 1.00 0.00 C ATOM 267 O CYS A 129 18.747 2.781 7.743 1.00 0.00 O ATOM 268 CB CYS A 129 17.034 5.118 8.854 1.00 0.00 C ATOM 269 SG CYS A 129 18.285 6.104 9.692 1.00 0.00 S ATOM 0 H CYS A 129 15.809 3.496 7.534 1.00 0.00 H new ATOM 0 HA CYS A 129 17.719 5.695 6.862 1.00 0.00 H new ATOM 0 HB2 CYS A 129 16.089 5.661 8.825 1.00 0.00 H new ATOM 0 HB3 CYS A 129 16.855 4.195 9.406 1.00 0.00 H new ATOM 0 HG CYS A 129 18.183 5.933 10.977 1.00 0.00 H new ATOM 274 N PRO A 130 19.865 4.607 7.136 1.00 0.00 N ATOM 275 CA PRO A 130 21.178 3.924 7.098 1.00 0.00 C ATOM 276 C PRO A 130 21.803 3.819 8.497 1.00 0.00 C ATOM 277 O PRO A 130 22.656 2.988 8.738 1.00 0.00 O ATOM 278 CB PRO A 130 22.019 4.833 6.209 1.00 0.00 C ATOM 279 CG PRO A 130 21.399 6.195 6.323 1.00 0.00 C ATOM 280 CD PRO A 130 19.969 6.023 6.775 1.00 0.00 C ATOM 0 HA PRO A 130 21.104 2.900 6.732 1.00 0.00 H new ATOM 0 HB2 PRO A 130 23.059 4.847 6.535 1.00 0.00 H new ATOM 0 HB3 PRO A 130 22.014 4.485 5.176 1.00 0.00 H new ATOM 0 HG2 PRO A 130 21.952 6.807 7.036 1.00 0.00 H new ATOM 0 HG3 PRO A 130 21.435 6.711 5.364 1.00 0.00 H new ATOM 0 HD2 PRO A 130 19.741 6.667 7.625 1.00 0.00 H new ATOM 0 HD3 PRO A 130 19.268 6.283 5.982 1.00 0.00 H new ATOM 288 N VAL A 131 21.407 4.657 9.417 1.00 0.00 N ATOM 289 CA VAL A 131 22.010 4.595 10.782 1.00 0.00 C ATOM 290 C VAL A 131 21.253 3.609 11.673 1.00 0.00 C ATOM 291 O VAL A 131 21.750 2.549 11.999 1.00 0.00 O ATOM 292 CB VAL A 131 21.918 6.023 11.332 1.00 0.00 C ATOM 293 CG1 VAL A 131 22.021 6.002 12.861 1.00 0.00 C ATOM 294 CG2 VAL A 131 23.074 6.852 10.765 1.00 0.00 C ATOM 0 H VAL A 131 20.697 5.377 9.285 1.00 0.00 H new ATOM 0 HA VAL A 131 23.041 4.242 10.753 1.00 0.00 H new ATOM 0 HB VAL A 131 20.963 6.460 11.041 1.00 0.00 H new ATOM 0 HG11 VAL A 131 21.955 7.020 13.244 1.00 0.00 H new ATOM 0 HG12 VAL A 131 21.206 5.406 13.272 1.00 0.00 H new ATOM 0 HG13 VAL A 131 22.975 5.565 13.155 1.00 0.00 H new ATOM 0 HG21 VAL A 131 23.016 7.870 11.151 1.00 0.00 H new ATOM 0 HG22 VAL A 131 24.023 6.405 11.062 1.00 0.00 H new ATOM 0 HG23 VAL A 131 23.008 6.873 9.677 1.00 0.00 H new ATOM 304 N CYS A 132 20.063 3.945 12.083 1.00 0.00 N ATOM 305 CA CYS A 132 19.302 3.013 12.963 1.00 0.00 C ATOM 306 C CYS A 132 18.542 1.979 12.117 1.00 0.00 C ATOM 307 O CYS A 132 17.677 1.274 12.600 1.00 0.00 O ATOM 308 CB CYS A 132 18.361 3.903 13.786 1.00 0.00 C ATOM 309 SG CYS A 132 16.974 4.461 12.773 1.00 0.00 S ATOM 0 H CYS A 132 19.587 4.816 11.850 1.00 0.00 H new ATOM 0 HA CYS A 132 19.951 2.434 13.620 1.00 0.00 H new ATOM 0 HB2 CYS A 132 17.990 3.350 14.649 1.00 0.00 H new ATOM 0 HB3 CYS A 132 18.908 4.764 14.170 1.00 0.00 H new ATOM 0 HG CYS A 132 15.919 3.757 13.056 1.00 0.00 H new ATOM 314 N SER A 133 18.893 1.870 10.860 1.00 0.00 N ATOM 315 CA SER A 133 18.245 0.869 9.956 1.00 0.00 C ATOM 316 C SER A 133 16.721 0.870 10.095 1.00 0.00 C ATOM 317 O SER A 133 16.073 -0.136 9.880 1.00 0.00 O ATOM 318 CB SER A 133 18.819 -0.483 10.380 1.00 0.00 C ATOM 319 OG SER A 133 18.914 -0.536 11.797 1.00 0.00 O ATOM 0 H SER A 133 19.612 2.441 10.415 1.00 0.00 H new ATOM 0 HA SER A 133 18.447 1.100 8.910 1.00 0.00 H new ATOM 0 HB2 SER A 133 18.182 -1.290 10.017 1.00 0.00 H new ATOM 0 HB3 SER A 133 19.803 -0.628 9.934 1.00 0.00 H new ATOM 0 HG SER A 133 18.065 -0.247 12.193 1.00 0.00 H new ATOM 325 N SER A 134 16.136 1.983 10.429 1.00 0.00 N ATOM 326 CA SER A 134 14.653 2.026 10.548 1.00 0.00 C ATOM 327 C SER A 134 14.034 2.124 9.151 1.00 0.00 C ATOM 328 O SER A 134 14.700 1.911 8.157 1.00 0.00 O ATOM 329 CB SER A 134 14.357 3.286 11.355 1.00 0.00 C ATOM 330 OG SER A 134 14.365 2.968 12.741 1.00 0.00 O ATOM 0 H SER A 134 16.616 2.861 10.624 1.00 0.00 H new ATOM 0 HA SER A 134 14.242 1.137 11.026 1.00 0.00 H new ATOM 0 HB2 SER A 134 15.102 4.052 11.141 1.00 0.00 H new ATOM 0 HB3 SER A 134 13.388 3.696 11.070 1.00 0.00 H new ATOM 0 HG SER A 134 13.870 3.653 13.237 1.00 0.00 H new ATOM 336 N THR A 135 12.774 2.448 9.060 1.00 0.00 N ATOM 337 CA THR A 135 12.139 2.558 7.714 1.00 0.00 C ATOM 338 C THR A 135 10.913 3.470 7.765 1.00 0.00 C ATOM 339 O THR A 135 10.360 3.732 8.814 1.00 0.00 O ATOM 340 CB THR A 135 11.727 1.133 7.347 1.00 0.00 C ATOM 341 OG1 THR A 135 12.730 0.223 7.780 1.00 0.00 O ATOM 342 CG2 THR A 135 11.557 1.027 5.830 1.00 0.00 C ATOM 0 H THR A 135 12.160 2.640 9.851 1.00 0.00 H new ATOM 0 HA THR A 135 12.820 2.990 6.981 1.00 0.00 H new ATOM 0 HB THR A 135 10.783 0.889 7.835 1.00 0.00 H new ATOM 0 HG1 THR A 135 12.465 -0.691 7.546 1.00 0.00 H new ATOM 0 HG21 THR A 135 11.263 0.011 5.567 1.00 0.00 H new ATOM 0 HG22 THR A 135 10.787 1.724 5.501 1.00 0.00 H new ATOM 0 HG23 THR A 135 12.500 1.270 5.340 1.00 0.00 H new ATOM 350 N PHE A 136 10.482 3.950 6.630 1.00 0.00 N ATOM 351 CA PHE A 136 9.289 4.841 6.595 1.00 0.00 C ATOM 352 C PHE A 136 8.562 4.689 5.257 1.00 0.00 C ATOM 353 O PHE A 136 9.076 4.106 4.325 1.00 0.00 O ATOM 354 CB PHE A 136 9.845 6.258 6.744 1.00 0.00 C ATOM 355 CG PHE A 136 10.825 6.300 7.892 1.00 0.00 C ATOM 356 CD1 PHE A 136 10.373 6.593 9.184 1.00 0.00 C ATOM 357 CD2 PHE A 136 12.182 6.048 7.664 1.00 0.00 C ATOM 358 CE1 PHE A 136 11.282 6.636 10.250 1.00 0.00 C ATOM 359 CE2 PHE A 136 13.090 6.091 8.728 1.00 0.00 C ATOM 360 CZ PHE A 136 12.640 6.384 10.021 1.00 0.00 C ATOM 0 H PHE A 136 10.907 3.762 5.722 1.00 0.00 H new ATOM 0 HA PHE A 136 8.571 4.603 7.380 1.00 0.00 H new ATOM 0 HB2 PHE A 136 10.337 6.565 5.821 1.00 0.00 H new ATOM 0 HB3 PHE A 136 9.032 6.962 6.921 1.00 0.00 H new ATOM 0 HD1 PHE A 136 9.325 6.786 9.359 1.00 0.00 H new ATOM 0 HD2 PHE A 136 12.529 5.820 6.667 1.00 0.00 H new ATOM 0 HE1 PHE A 136 10.935 6.863 11.247 1.00 0.00 H new ATOM 0 HE2 PHE A 136 14.138 5.898 8.552 1.00 0.00 H new ATOM 0 HZ PHE A 136 13.341 6.416 10.842 1.00 0.00 H new ATOM 370 N THR A 137 7.372 5.211 5.154 1.00 0.00 N ATOM 371 CA THR A 137 6.616 5.097 3.874 1.00 0.00 C ATOM 372 C THR A 137 6.157 6.482 3.413 1.00 0.00 C ATOM 373 O THR A 137 6.507 7.488 3.999 1.00 0.00 O ATOM 374 CB THR A 137 5.413 4.210 4.198 1.00 0.00 C ATOM 375 OG1 THR A 137 5.058 4.378 5.563 1.00 0.00 O ATOM 376 CG2 THR A 137 5.773 2.746 3.937 1.00 0.00 C ATOM 0 H THR A 137 6.889 5.712 5.900 1.00 0.00 H new ATOM 0 HA THR A 137 7.221 4.677 3.071 1.00 0.00 H new ATOM 0 HB THR A 137 4.571 4.492 3.567 1.00 0.00 H new ATOM 0 HG1 THR A 137 4.395 3.701 5.814 1.00 0.00 H new ATOM 0 HG21 THR A 137 4.916 2.114 4.168 1.00 0.00 H new ATOM 0 HG22 THR A 137 6.045 2.620 2.889 1.00 0.00 H new ATOM 0 HG23 THR A 137 6.615 2.460 4.568 1.00 0.00 H new ATOM 384 N ASP A 138 5.380 6.546 2.368 1.00 0.00 N ATOM 385 CA ASP A 138 4.908 7.873 1.878 1.00 0.00 C ATOM 386 C ASP A 138 4.262 8.660 3.020 1.00 0.00 C ATOM 387 O ASP A 138 4.542 9.825 3.215 1.00 0.00 O ATOM 388 CB ASP A 138 3.886 7.559 0.783 1.00 0.00 C ATOM 389 CG ASP A 138 2.967 6.421 1.235 1.00 0.00 C ATOM 390 OD1 ASP A 138 3.004 6.082 2.406 1.00 0.00 O ATOM 391 OD2 ASP A 138 2.241 5.908 0.400 1.00 0.00 O ATOM 0 H ASP A 138 5.052 5.742 1.834 1.00 0.00 H new ATOM 0 HA ASP A 138 5.725 8.486 1.498 1.00 0.00 H new ATOM 0 HB2 ASP A 138 3.295 8.448 0.560 1.00 0.00 H new ATOM 0 HB3 ASP A 138 4.400 7.279 -0.136 1.00 0.00 H new ATOM 396 N LEU A 139 3.408 8.035 3.783 1.00 0.00 N ATOM 397 CA LEU A 139 2.763 8.760 4.913 1.00 0.00 C ATOM 398 C LEU A 139 3.841 9.375 5.808 1.00 0.00 C ATOM 399 O LEU A 139 3.623 10.373 6.467 1.00 0.00 O ATOM 400 CB LEU A 139 1.960 7.698 5.669 1.00 0.00 C ATOM 401 CG LEU A 139 2.904 6.832 6.506 1.00 0.00 C ATOM 402 CD1 LEU A 139 2.970 7.382 7.932 1.00 0.00 C ATOM 403 CD2 LEU A 139 2.380 5.394 6.538 1.00 0.00 C ATOM 0 H LEU A 139 3.130 7.060 3.674 1.00 0.00 H new ATOM 0 HA LEU A 139 2.121 9.575 4.578 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.223 8.177 6.314 1.00 0.00 H new ATOM 0 HB3 LEU A 139 1.409 7.075 4.964 1.00 0.00 H new ATOM 0 HG LEU A 139 3.900 6.847 6.064 1.00 0.00 H new ATOM 0 HD11 LEU A 139 3.642 6.766 8.529 1.00 0.00 H new ATOM 0 HD12 LEU A 139 3.341 8.407 7.910 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.974 7.366 8.375 1.00 0.00 H new ATOM 0 HD21 LEU A 139 3.051 4.775 7.134 1.00 0.00 H new ATOM 0 HD22 LEU A 139 1.384 5.379 6.981 1.00 0.00 H new ATOM 0 HD23 LEU A 139 2.331 5.002 5.522 1.00 0.00 H new ATOM 415 N GLU A 140 5.009 8.791 5.825 1.00 0.00 N ATOM 416 CA GLU A 140 6.111 9.343 6.663 1.00 0.00 C ATOM 417 C GLU A 140 6.938 10.331 5.839 1.00 0.00 C ATOM 418 O GLU A 140 7.632 11.176 6.371 1.00 0.00 O ATOM 419 CB GLU A 140 6.961 8.134 7.058 1.00 0.00 C ATOM 420 CG GLU A 140 6.180 7.255 8.035 1.00 0.00 C ATOM 421 CD GLU A 140 5.913 8.036 9.323 1.00 0.00 C ATOM 422 OE1 GLU A 140 6.833 8.675 9.806 1.00 0.00 O ATOM 423 OE2 GLU A 140 4.794 7.981 9.805 1.00 0.00 O ATOM 0 H GLU A 140 5.247 7.954 5.293 1.00 0.00 H new ATOM 0 HA GLU A 140 5.740 9.877 7.538 1.00 0.00 H new ATOM 0 HB2 GLU A 140 7.229 7.560 6.171 1.00 0.00 H new ATOM 0 HB3 GLU A 140 7.893 8.466 7.516 1.00 0.00 H new ATOM 0 HG2 GLU A 140 5.238 6.942 7.585 1.00 0.00 H new ATOM 0 HG3 GLU A 140 6.744 6.349 8.257 1.00 0.00 H new ATOM 430 N ALA A 141 6.869 10.226 4.540 1.00 0.00 N ATOM 431 CA ALA A 141 7.649 11.154 3.672 1.00 0.00 C ATOM 432 C ALA A 141 7.164 12.593 3.864 1.00 0.00 C ATOM 433 O ALA A 141 7.918 13.534 3.725 1.00 0.00 O ATOM 434 CB ALA A 141 7.375 10.680 2.243 1.00 0.00 C ATOM 0 H ALA A 141 6.306 9.537 4.042 1.00 0.00 H new ATOM 0 HA ALA A 141 8.713 11.146 3.908 1.00 0.00 H new ATOM 0 HB1 ALA A 141 7.915 11.314 1.540 1.00 0.00 H new ATOM 0 HB2 ALA A 141 7.708 9.648 2.132 1.00 0.00 H new ATOM 0 HB3 ALA A 141 6.306 10.740 2.038 1.00 0.00 H new ATOM 440 N ASN A 142 5.910 12.773 4.179 1.00 0.00 N ATOM 441 CA ASN A 142 5.386 14.156 4.375 1.00 0.00 C ATOM 442 C ASN A 142 5.768 14.685 5.761 1.00 0.00 C ATOM 443 O ASN A 142 5.726 15.872 6.013 1.00 0.00 O ATOM 444 CB ASN A 142 3.867 14.027 4.244 1.00 0.00 C ATOM 445 CG ASN A 142 3.327 13.132 5.362 1.00 0.00 C ATOM 446 OD1 ASN A 142 3.810 13.170 6.475 1.00 0.00 O ATOM 447 ND2 ASN A 142 2.335 12.321 5.109 1.00 0.00 N ATOM 0 H ASN A 142 5.228 12.026 4.309 1.00 0.00 H new ATOM 0 HA ASN A 142 5.799 14.858 3.650 1.00 0.00 H new ATOM 0 HB2 ASN A 142 3.403 15.012 4.297 1.00 0.00 H new ATOM 0 HB3 ASN A 142 3.611 13.606 3.272 1.00 0.00 H new ATOM 0 HD21 ASN A 142 1.967 11.720 5.846 1.00 0.00 H new ATOM 0 HD22 ASN A 142 1.929 12.288 4.174 1.00 0.00 H new ATOM 454 N GLN A 143 6.142 13.815 6.660 1.00 0.00 N ATOM 455 CA GLN A 143 6.526 14.278 8.025 1.00 0.00 C ATOM 456 C GLN A 143 8.033 14.109 8.238 1.00 0.00 C ATOM 457 O GLN A 143 8.572 14.484 9.261 1.00 0.00 O ATOM 458 CB GLN A 143 5.740 13.386 8.988 1.00 0.00 C ATOM 459 CG GLN A 143 5.953 11.918 8.615 1.00 0.00 C ATOM 460 CD GLN A 143 5.697 11.037 9.840 1.00 0.00 C ATOM 461 OE1 GLN A 143 6.581 10.831 10.648 1.00 0.00 O ATOM 462 NE2 GLN A 143 4.517 10.507 10.014 1.00 0.00 N ATOM 0 H GLN A 143 6.198 12.808 6.510 1.00 0.00 H new ATOM 0 HA GLN A 143 6.302 15.334 8.179 1.00 0.00 H new ATOM 0 HB2 GLN A 143 6.067 13.563 10.013 1.00 0.00 H new ATOM 0 HB3 GLN A 143 4.679 13.633 8.945 1.00 0.00 H new ATOM 0 HG2 GLN A 143 5.281 11.637 7.805 1.00 0.00 H new ATOM 0 HG3 GLN A 143 6.970 11.768 8.252 1.00 0.00 H new ATOM 0 HE21 GLN A 143 3.775 10.680 9.336 1.00 0.00 H new ATOM 0 HE22 GLN A 143 4.337 9.920 10.828 1.00 0.00 H new ATOM 471 N LEU A 144 8.717 13.548 7.279 1.00 0.00 N ATOM 472 CA LEU A 144 10.190 13.360 7.423 1.00 0.00 C ATOM 473 C LEU A 144 10.926 14.143 6.334 1.00 0.00 C ATOM 474 O LEU A 144 12.116 14.374 6.415 1.00 0.00 O ATOM 475 CB LEU A 144 10.418 11.858 7.247 1.00 0.00 C ATOM 476 CG LEU A 144 9.811 11.106 8.431 1.00 0.00 C ATOM 477 CD1 LEU A 144 10.008 9.601 8.236 1.00 0.00 C ATOM 478 CD2 LEU A 144 10.504 11.545 9.723 1.00 0.00 C ATOM 0 H LEU A 144 8.320 13.211 6.402 1.00 0.00 H new ATOM 0 HA LEU A 144 10.561 13.718 8.383 1.00 0.00 H new ATOM 0 HB2 LEU A 144 9.965 11.518 6.316 1.00 0.00 H new ATOM 0 HB3 LEU A 144 11.485 11.647 7.178 1.00 0.00 H new ATOM 0 HG LEU A 144 8.746 11.329 8.494 1.00 0.00 H new ATOM 0 HD11 LEU A 144 9.575 9.065 9.081 1.00 0.00 H new ATOM 0 HD12 LEU A 144 9.516 9.286 7.316 1.00 0.00 H new ATOM 0 HD13 LEU A 144 11.073 9.379 8.173 1.00 0.00 H new ATOM 0 HD21 LEU A 144 10.072 11.009 10.568 1.00 0.00 H new ATOM 0 HD22 LEU A 144 11.569 11.322 9.658 1.00 0.00 H new ATOM 0 HD23 LEU A 144 10.366 12.617 9.864 1.00 0.00 H new ATOM 490 N PHE A 145 10.224 14.550 5.313 1.00 0.00 N ATOM 491 CA PHE A 145 10.875 15.316 4.212 1.00 0.00 C ATOM 492 C PHE A 145 11.435 16.640 4.738 1.00 0.00 C ATOM 493 O PHE A 145 10.748 17.402 5.388 1.00 0.00 O ATOM 494 CB PHE A 145 9.759 15.564 3.197 1.00 0.00 C ATOM 495 CG PHE A 145 10.273 16.436 2.079 1.00 0.00 C ATOM 496 CD1 PHE A 145 10.563 17.783 2.317 1.00 0.00 C ATOM 497 CD2 PHE A 145 10.455 15.894 0.800 1.00 0.00 C ATOM 498 CE1 PHE A 145 11.038 18.590 1.277 1.00 0.00 C ATOM 499 CE2 PHE A 145 10.928 16.702 -0.240 1.00 0.00 C ATOM 500 CZ PHE A 145 11.219 18.050 -0.002 1.00 0.00 C ATOM 0 H PHE A 145 9.225 14.385 5.193 1.00 0.00 H new ATOM 0 HA PHE A 145 11.715 14.777 3.773 1.00 0.00 H new ATOM 0 HB2 PHE A 145 9.401 14.615 2.796 1.00 0.00 H new ATOM 0 HB3 PHE A 145 8.911 16.044 3.685 1.00 0.00 H new ATOM 0 HD1 PHE A 145 10.421 18.200 3.303 1.00 0.00 H new ATOM 0 HD2 PHE A 145 10.230 14.854 0.617 1.00 0.00 H new ATOM 0 HE1 PHE A 145 11.265 19.630 1.461 1.00 0.00 H new ATOM 0 HE2 PHE A 145 11.068 16.285 -1.226 1.00 0.00 H new ATOM 0 HZ PHE A 145 11.583 18.674 -0.805 1.00 0.00 H new ATOM 510 N ASP A 146 12.679 16.918 4.457 1.00 0.00 N ATOM 511 CA ASP A 146 13.288 18.192 4.936 1.00 0.00 C ATOM 512 C ASP A 146 13.805 19.008 3.747 1.00 0.00 C ATOM 513 O ASP A 146 14.485 18.487 2.886 1.00 0.00 O ATOM 514 CB ASP A 146 14.447 17.763 5.837 1.00 0.00 C ATOM 515 CG ASP A 146 13.964 17.681 7.286 1.00 0.00 C ATOM 516 OD1 ASP A 146 13.405 16.658 7.646 1.00 0.00 O ATOM 517 OD2 ASP A 146 14.162 18.642 8.010 1.00 0.00 O ATOM 0 H ASP A 146 13.301 16.317 3.916 1.00 0.00 H new ATOM 0 HA ASP A 146 12.572 18.820 5.466 1.00 0.00 H new ATOM 0 HB2 ASP A 146 14.832 16.795 5.516 1.00 0.00 H new ATOM 0 HB3 ASP A 146 15.268 18.476 5.756 1.00 0.00 H new ATOM 522 N PRO A 147 13.459 20.267 3.742 1.00 0.00 N ATOM 523 CA PRO A 147 13.890 21.171 2.647 1.00 0.00 C ATOM 524 C PRO A 147 15.380 21.502 2.777 1.00 0.00 C ATOM 525 O PRO A 147 15.994 22.010 1.859 1.00 0.00 O ATOM 526 CB PRO A 147 13.036 22.418 2.857 1.00 0.00 C ATOM 527 CG PRO A 147 12.679 22.403 4.310 1.00 0.00 C ATOM 528 CD PRO A 147 12.643 20.961 4.744 1.00 0.00 C ATOM 0 HA PRO A 147 13.764 20.734 1.657 1.00 0.00 H new ATOM 0 HB2 PRO A 147 13.586 23.322 2.595 1.00 0.00 H new ATOM 0 HB3 PRO A 147 12.144 22.395 2.231 1.00 0.00 H new ATOM 0 HG2 PRO A 147 13.412 22.962 4.892 1.00 0.00 H new ATOM 0 HG3 PRO A 147 11.712 22.878 4.474 1.00 0.00 H new ATOM 0 HD2 PRO A 147 13.051 20.836 5.747 1.00 0.00 H new ATOM 0 HD3 PRO A 147 11.624 20.576 4.764 1.00 0.00 H new ATOM 536 N MET A 148 15.965 21.222 3.909 1.00 0.00 N ATOM 537 CA MET A 148 17.415 21.525 4.094 1.00 0.00 C ATOM 538 C MET A 148 18.273 20.473 3.388 1.00 0.00 C ATOM 539 O MET A 148 19.436 20.690 3.112 1.00 0.00 O ATOM 540 CB MET A 148 17.640 21.476 5.605 1.00 0.00 C ATOM 541 CG MET A 148 17.166 20.127 6.149 1.00 0.00 C ATOM 542 SD MET A 148 18.577 19.225 6.835 1.00 0.00 S ATOM 543 CE MET A 148 18.743 20.187 8.359 1.00 0.00 C ATOM 0 H MET A 148 15.504 20.797 4.713 1.00 0.00 H new ATOM 0 HA MET A 148 17.691 22.491 3.672 1.00 0.00 H new ATOM 0 HB2 MET A 148 18.697 21.620 5.831 1.00 0.00 H new ATOM 0 HB3 MET A 148 17.097 22.287 6.091 1.00 0.00 H new ATOM 0 HG2 MET A 148 16.409 20.279 6.918 1.00 0.00 H new ATOM 0 HG3 MET A 148 16.700 19.545 5.354 1.00 0.00 H new ATOM 0 HE1 MET A 148 19.718 20.674 8.377 1.00 0.00 H new ATOM 0 HE2 MET A 148 17.959 20.943 8.399 1.00 0.00 H new ATOM 0 HE3 MET A 148 18.652 19.524 9.219 1.00 0.00 H new ATOM 553 N THR A 149 17.710 19.332 3.093 1.00 0.00 N ATOM 554 CA THR A 149 18.499 18.269 2.406 1.00 0.00 C ATOM 555 C THR A 149 17.759 17.783 1.156 1.00 0.00 C ATOM 556 O THR A 149 18.228 16.918 0.444 1.00 0.00 O ATOM 557 CB THR A 149 18.622 17.140 3.430 1.00 0.00 C ATOM 558 OG1 THR A 149 19.320 16.049 2.847 1.00 0.00 O ATOM 559 CG2 THR A 149 17.227 16.685 3.859 1.00 0.00 C ATOM 0 H THR A 149 16.740 19.090 3.297 1.00 0.00 H new ATOM 0 HA THR A 149 19.474 18.628 2.077 1.00 0.00 H new ATOM 0 HB THR A 149 19.169 17.497 4.302 1.00 0.00 H new ATOM 0 HG1 THR A 149 18.728 15.577 2.225 1.00 0.00 H new ATOM 0 HG21 THR A 149 17.315 15.880 4.589 1.00 0.00 H new ATOM 0 HG22 THR A 149 16.692 17.523 4.306 1.00 0.00 H new ATOM 0 HG23 THR A 149 16.677 16.327 2.989 1.00 0.00 H new ATOM 567 N GLY A 150 16.607 18.331 0.885 1.00 0.00 N ATOM 568 CA GLY A 150 15.842 17.899 -0.319 1.00 0.00 C ATOM 569 C GLY A 150 15.510 16.411 -0.206 1.00 0.00 C ATOM 570 O GLY A 150 15.272 15.740 -1.191 1.00 0.00 O ATOM 0 H GLY A 150 16.162 19.059 1.444 1.00 0.00 H new ATOM 0 HA2 GLY A 150 14.925 18.481 -0.408 1.00 0.00 H new ATOM 0 HA3 GLY A 150 16.426 18.085 -1.220 1.00 0.00 H new ATOM 574 N THR A 151 15.494 15.885 0.989 1.00 0.00 N ATOM 575 CA THR A 151 15.177 14.438 1.161 1.00 0.00 C ATOM 576 C THR A 151 14.378 14.221 2.448 1.00 0.00 C ATOM 577 O THR A 151 13.835 15.146 3.017 1.00 0.00 O ATOM 578 CB THR A 151 16.534 13.734 1.251 1.00 0.00 C ATOM 579 OG1 THR A 151 17.577 14.671 1.020 1.00 0.00 O ATOM 580 CG2 THR A 151 16.603 12.623 0.202 1.00 0.00 C ATOM 0 H THR A 151 15.686 16.394 1.852 1.00 0.00 H new ATOM 0 HA THR A 151 14.573 14.052 0.340 1.00 0.00 H new ATOM 0 HB THR A 151 16.651 13.303 2.245 1.00 0.00 H new ATOM 0 HG1 THR A 151 18.430 14.197 0.937 1.00 0.00 H new ATOM 0 HG21 THR A 151 17.569 12.122 0.266 1.00 0.00 H new ATOM 0 HG22 THR A 151 15.807 11.901 0.384 1.00 0.00 H new ATOM 0 HG23 THR A 151 16.483 13.053 -0.792 1.00 0.00 H new ATOM 588 N PHE A 152 14.306 13.004 2.910 1.00 0.00 N ATOM 589 CA PHE A 152 13.546 12.724 4.161 1.00 0.00 C ATOM 590 C PHE A 152 14.513 12.421 5.305 1.00 0.00 C ATOM 591 O PHE A 152 15.475 11.696 5.144 1.00 0.00 O ATOM 592 CB PHE A 152 12.690 11.499 3.840 1.00 0.00 C ATOM 593 CG PHE A 152 11.964 11.721 2.533 1.00 0.00 C ATOM 594 CD1 PHE A 152 12.576 11.371 1.325 1.00 0.00 C ATOM 595 CD2 PHE A 152 10.677 12.274 2.532 1.00 0.00 C ATOM 596 CE1 PHE A 152 11.903 11.575 0.113 1.00 0.00 C ATOM 597 CE2 PHE A 152 10.005 12.479 1.321 1.00 0.00 C ATOM 598 CZ PHE A 152 10.617 12.128 0.112 1.00 0.00 C ATOM 0 H PHE A 152 14.741 12.190 2.475 1.00 0.00 H new ATOM 0 HA PHE A 152 12.937 13.572 4.475 1.00 0.00 H new ATOM 0 HB2 PHE A 152 13.318 10.611 3.773 1.00 0.00 H new ATOM 0 HB3 PHE A 152 11.973 11.323 4.642 1.00 0.00 H new ATOM 0 HD1 PHE A 152 13.568 10.943 1.326 1.00 0.00 H new ATOM 0 HD2 PHE A 152 10.203 12.542 3.465 1.00 0.00 H new ATOM 0 HE1 PHE A 152 12.376 11.306 -0.820 1.00 0.00 H new ATOM 0 HE2 PHE A 152 9.014 12.908 1.320 1.00 0.00 H new ATOM 0 HZ PHE A 152 10.097 12.284 -0.822 1.00 0.00 H new ATOM 608 N ARG A 153 14.270 12.976 6.461 1.00 0.00 N ATOM 609 CA ARG A 153 15.184 12.721 7.612 1.00 0.00 C ATOM 610 C ARG A 153 14.554 11.730 8.594 1.00 0.00 C ATOM 611 O ARG A 153 13.362 11.739 8.827 1.00 0.00 O ATOM 612 CB ARG A 153 15.373 14.080 8.285 1.00 0.00 C ATOM 613 CG ARG A 153 16.524 14.830 7.612 1.00 0.00 C ATOM 614 CD ARG A 153 17.427 15.444 8.684 1.00 0.00 C ATOM 615 NE ARG A 153 18.525 16.107 7.928 1.00 0.00 N ATOM 616 CZ ARG A 153 19.462 16.753 8.569 1.00 0.00 C ATOM 617 NH1 ARG A 153 19.339 16.990 9.846 1.00 0.00 N ATOM 618 NH2 ARG A 153 20.525 17.161 7.929 1.00 0.00 N ATOM 0 H ARG A 153 13.482 13.593 6.658 1.00 0.00 H new ATOM 0 HA ARG A 153 16.130 12.288 7.286 1.00 0.00 H new ATOM 0 HB2 ARG A 153 14.455 14.663 8.214 1.00 0.00 H new ATOM 0 HB3 ARG A 153 15.584 13.946 9.346 1.00 0.00 H new ATOM 0 HG2 ARG A 153 17.098 14.149 6.984 1.00 0.00 H new ATOM 0 HG3 ARG A 153 16.132 15.611 6.960 1.00 0.00 H new ATOM 0 HD2 ARG A 153 16.881 16.161 9.297 1.00 0.00 H new ATOM 0 HD3 ARG A 153 17.816 14.680 9.357 1.00 0.00 H new ATOM 0 HE ARG A 153 18.546 16.057 6.909 1.00 0.00 H new ATOM 0 HH11 ARG A 153 18.510 16.671 10.346 1.00 0.00 H new ATOM 0 HH12 ARG A 153 20.072 17.495 10.344 1.00 0.00 H new ATOM 0 HH21 ARG A 153 20.622 16.975 6.931 1.00 0.00 H new ATOM 0 HH22 ARG A 153 21.258 17.666 8.427 1.00 0.00 H new ATOM 632 N CYS A 154 15.356 10.884 9.178 1.00 0.00 N ATOM 633 CA CYS A 154 14.822 9.897 10.160 1.00 0.00 C ATOM 634 C CYS A 154 13.949 10.616 11.194 1.00 0.00 C ATOM 635 O CYS A 154 13.840 11.826 11.189 1.00 0.00 O ATOM 636 CB CYS A 154 16.070 9.311 10.818 1.00 0.00 C ATOM 637 SG CYS A 154 15.645 7.821 11.749 1.00 0.00 S ATOM 0 H CYS A 154 16.362 10.833 9.017 1.00 0.00 H new ATOM 0 HA CYS A 154 14.200 9.129 9.701 1.00 0.00 H new ATOM 0 HB2 CYS A 154 16.813 9.073 10.057 1.00 0.00 H new ATOM 0 HB3 CYS A 154 16.519 10.048 11.483 1.00 0.00 H new ATOM 0 HG CYS A 154 16.384 6.831 11.345 1.00 0.00 H new ATOM 642 N THR A 155 13.326 9.888 12.079 1.00 0.00 N ATOM 643 CA THR A 155 12.464 10.546 13.103 1.00 0.00 C ATOM 644 C THR A 155 12.998 10.272 14.512 1.00 0.00 C ATOM 645 O THR A 155 12.695 10.988 15.446 1.00 0.00 O ATOM 646 CB THR A 155 11.074 9.929 12.925 1.00 0.00 C ATOM 647 OG1 THR A 155 11.115 8.943 11.903 1.00 0.00 O ATOM 648 CG2 THR A 155 10.077 11.023 12.541 1.00 0.00 C ATOM 0 H THR A 155 13.375 8.871 12.138 1.00 0.00 H new ATOM 0 HA THR A 155 12.444 11.629 12.979 1.00 0.00 H new ATOM 0 HB THR A 155 10.762 9.464 13.860 1.00 0.00 H new ATOM 0 HG1 THR A 155 10.302 9.002 11.359 1.00 0.00 H new ATOM 0 HG21 THR A 155 9.087 10.585 12.414 1.00 0.00 H new ATOM 0 HG22 THR A 155 10.042 11.776 13.328 1.00 0.00 H new ATOM 0 HG23 THR A 155 10.390 11.489 11.607 1.00 0.00 H new ATOM 656 N PHE A 156 13.793 9.249 14.679 1.00 0.00 N ATOM 657 CA PHE A 156 14.337 8.953 16.038 1.00 0.00 C ATOM 658 C PHE A 156 15.844 9.207 16.070 1.00 0.00 C ATOM 659 O PHE A 156 16.378 9.704 17.041 1.00 0.00 O ATOM 660 CB PHE A 156 14.035 7.478 16.348 1.00 0.00 C ATOM 661 CG PHE A 156 13.531 6.743 15.125 1.00 0.00 C ATOM 662 CD1 PHE A 156 14.418 6.393 14.101 1.00 0.00 C ATOM 663 CD2 PHE A 156 12.175 6.412 15.020 1.00 0.00 C ATOM 664 CE1 PHE A 156 13.949 5.713 12.974 1.00 0.00 C ATOM 665 CE2 PHE A 156 11.706 5.730 13.892 1.00 0.00 C ATOM 666 CZ PHE A 156 12.594 5.382 12.867 1.00 0.00 C ATOM 0 H PHE A 156 14.088 8.610 13.941 1.00 0.00 H new ATOM 0 HA PHE A 156 13.875 9.599 16.784 1.00 0.00 H new ATOM 0 HB2 PHE A 156 14.937 6.992 16.719 1.00 0.00 H new ATOM 0 HB3 PHE A 156 13.291 7.418 17.142 1.00 0.00 H new ATOM 0 HD1 PHE A 156 15.464 6.648 14.182 1.00 0.00 H new ATOM 0 HD2 PHE A 156 11.490 6.683 15.810 1.00 0.00 H new ATOM 0 HE1 PHE A 156 14.634 5.442 12.184 1.00 0.00 H new ATOM 0 HE2 PHE A 156 10.660 5.472 13.812 1.00 0.00 H new ATOM 0 HZ PHE A 156 12.233 4.858 11.994 1.00 0.00 H new ATOM 676 N CYS A 157 16.533 8.882 15.014 1.00 0.00 N ATOM 677 CA CYS A 157 18.004 9.119 14.991 1.00 0.00 C ATOM 678 C CYS A 157 18.338 10.167 13.912 1.00 0.00 C ATOM 679 O CYS A 157 19.462 10.303 13.474 1.00 0.00 O ATOM 680 CB CYS A 157 18.622 7.730 14.728 1.00 0.00 C ATOM 681 SG CYS A 157 19.175 7.544 13.015 1.00 0.00 S ATOM 0 H CYS A 157 16.145 8.464 14.168 1.00 0.00 H new ATOM 0 HA CYS A 157 18.405 9.530 15.918 1.00 0.00 H new ATOM 0 HB2 CYS A 157 19.467 7.576 15.400 1.00 0.00 H new ATOM 0 HB3 CYS A 157 17.888 6.958 14.957 1.00 0.00 H new ATOM 0 HG CYS A 157 18.148 7.591 12.220 1.00 0.00 H new ATOM 686 N HIS A 158 17.345 10.923 13.519 1.00 0.00 N ATOM 687 CA HIS A 158 17.527 12.007 12.501 1.00 0.00 C ATOM 688 C HIS A 158 18.617 11.690 11.469 1.00 0.00 C ATOM 689 O HIS A 158 19.271 12.583 10.967 1.00 0.00 O ATOM 690 CB HIS A 158 17.911 13.238 13.320 1.00 0.00 C ATOM 691 CG HIS A 158 16.700 13.728 14.067 1.00 0.00 C ATOM 692 ND1 HIS A 158 15.944 14.803 13.627 1.00 0.00 N ATOM 693 CD2 HIS A 158 16.094 13.290 15.219 1.00 0.00 C ATOM 694 CE1 HIS A 158 14.935 14.972 14.500 1.00 0.00 C ATOM 695 NE2 HIS A 158 14.981 14.077 15.490 1.00 0.00 N ATOM 0 H HIS A 158 16.391 10.833 13.869 1.00 0.00 H new ATOM 0 HA HIS A 158 16.618 12.141 11.914 1.00 0.00 H new ATOM 0 HB2 HIS A 158 18.710 12.991 14.019 1.00 0.00 H new ATOM 0 HB3 HIS A 158 18.292 14.022 12.665 1.00 0.00 H new ATOM 0 HD2 HIS A 158 16.431 12.460 15.823 1.00 0.00 H new ATOM 0 HE1 HIS A 158 14.179 15.738 14.411 1.00 0.00 H new ATOM 0 HE2 HIS A 158 14.337 13.990 16.276 1.00 0.00 H new ATOM 703 N THR A 159 18.809 10.452 11.117 1.00 0.00 N ATOM 704 CA THR A 159 19.843 10.142 10.088 1.00 0.00 C ATOM 705 C THR A 159 19.209 10.186 8.694 1.00 0.00 C ATOM 706 O THR A 159 18.131 9.669 8.477 1.00 0.00 O ATOM 707 CB THR A 159 20.330 8.730 10.409 1.00 0.00 C ATOM 708 OG1 THR A 159 21.154 8.770 11.565 1.00 0.00 O ATOM 709 CG2 THR A 159 21.128 8.180 9.222 1.00 0.00 C ATOM 0 H THR A 159 18.303 9.649 11.490 1.00 0.00 H new ATOM 0 HA THR A 159 20.664 10.858 10.098 1.00 0.00 H new ATOM 0 HB THR A 159 19.475 8.081 10.596 1.00 0.00 H new ATOM 0 HG1 THR A 159 20.665 8.397 12.328 1.00 0.00 H new ATOM 0 HG21 THR A 159 21.475 7.173 9.452 1.00 0.00 H new ATOM 0 HG22 THR A 159 20.491 8.151 8.338 1.00 0.00 H new ATOM 0 HG23 THR A 159 21.986 8.824 9.031 1.00 0.00 H new ATOM 717 N GLU A 160 19.867 10.796 7.746 1.00 0.00 N ATOM 718 CA GLU A 160 19.293 10.866 6.370 1.00 0.00 C ATOM 719 C GLU A 160 18.797 9.484 5.935 1.00 0.00 C ATOM 720 O GLU A 160 19.558 8.542 5.841 1.00 0.00 O ATOM 721 CB GLU A 160 20.448 11.327 5.479 1.00 0.00 C ATOM 722 CG GLU A 160 20.187 12.756 5.002 1.00 0.00 C ATOM 723 CD GLU A 160 20.590 13.745 6.098 1.00 0.00 C ATOM 724 OE1 GLU A 160 21.775 13.846 6.369 1.00 0.00 O ATOM 725 OE2 GLU A 160 19.708 14.382 6.647 1.00 0.00 O ATOM 0 H GLU A 160 20.774 11.248 7.863 1.00 0.00 H new ATOM 0 HA GLU A 160 18.441 11.543 6.312 1.00 0.00 H new ATOM 0 HB2 GLU A 160 21.387 11.283 6.031 1.00 0.00 H new ATOM 0 HB3 GLU A 160 20.550 10.660 4.623 1.00 0.00 H new ATOM 0 HG2 GLU A 160 20.753 12.955 4.092 1.00 0.00 H new ATOM 0 HG3 GLU A 160 19.133 12.881 4.755 1.00 0.00 H new ATOM 732 N VAL A 161 17.525 9.355 5.671 1.00 0.00 N ATOM 733 CA VAL A 161 16.981 8.032 5.247 1.00 0.00 C ATOM 734 C VAL A 161 17.111 7.864 3.730 1.00 0.00 C ATOM 735 O VAL A 161 17.220 8.825 2.995 1.00 0.00 O ATOM 736 CB VAL A 161 15.509 8.057 5.656 1.00 0.00 C ATOM 737 CG1 VAL A 161 15.402 8.240 7.171 1.00 0.00 C ATOM 738 CG2 VAL A 161 14.803 9.218 4.951 1.00 0.00 C ATOM 0 H VAL A 161 16.839 10.108 5.730 1.00 0.00 H new ATOM 0 HA VAL A 161 17.519 7.202 5.706 1.00 0.00 H new ATOM 0 HB VAL A 161 15.037 7.117 5.370 1.00 0.00 H new ATOM 0 HG11 VAL A 161 14.352 8.258 7.462 1.00 0.00 H new ATOM 0 HG12 VAL A 161 15.904 7.413 7.674 1.00 0.00 H new ATOM 0 HG13 VAL A 161 15.874 9.180 7.458 1.00 0.00 H new ATOM 0 HG21 VAL A 161 13.753 9.236 5.242 1.00 0.00 H new ATOM 0 HG22 VAL A 161 15.275 10.158 5.236 1.00 0.00 H new ATOM 0 HG23 VAL A 161 14.878 9.088 3.871 1.00 0.00 H new ATOM 748 N GLU A 162 17.097 6.648 3.258 1.00 0.00 N ATOM 749 CA GLU A 162 17.216 6.415 1.791 1.00 0.00 C ATOM 750 C GLU A 162 16.103 5.478 1.314 1.00 0.00 C ATOM 751 O GLU A 162 15.725 4.548 1.999 1.00 0.00 O ATOM 752 CB GLU A 162 18.587 5.765 1.600 1.00 0.00 C ATOM 753 CG GLU A 162 19.678 6.721 2.086 1.00 0.00 C ATOM 754 CD GLU A 162 21.050 6.183 1.678 1.00 0.00 C ATOM 755 OE1 GLU A 162 21.321 6.151 0.488 1.00 0.00 O ATOM 756 OE2 GLU A 162 21.805 5.812 2.561 1.00 0.00 O ATOM 0 H GLU A 162 17.008 5.805 3.825 1.00 0.00 H new ATOM 0 HA GLU A 162 17.122 7.337 1.217 1.00 0.00 H new ATOM 0 HB2 GLU A 162 18.637 4.828 2.154 1.00 0.00 H new ATOM 0 HB3 GLU A 162 18.743 5.523 0.549 1.00 0.00 H new ATOM 0 HG2 GLU A 162 19.523 7.712 1.660 1.00 0.00 H new ATOM 0 HG3 GLU A 162 19.626 6.828 3.169 1.00 0.00 H new ATOM 763 N GLU A 163 15.574 5.717 0.145 1.00 0.00 N ATOM 764 CA GLU A 163 14.485 4.843 -0.376 1.00 0.00 C ATOM 765 C GLU A 163 14.923 3.375 -0.354 1.00 0.00 C ATOM 766 O GLU A 163 16.013 3.037 -0.768 1.00 0.00 O ATOM 767 CB GLU A 163 14.255 5.316 -1.811 1.00 0.00 C ATOM 768 CG GLU A 163 13.463 6.626 -1.795 1.00 0.00 C ATOM 769 CD GLU A 163 13.667 7.364 -3.120 1.00 0.00 C ATOM 770 OE1 GLU A 163 14.574 6.992 -3.848 1.00 0.00 O ATOM 771 OE2 GLU A 163 12.914 8.286 -3.385 1.00 0.00 O ATOM 0 H GLU A 163 15.849 6.481 -0.472 1.00 0.00 H new ATOM 0 HA GLU A 163 13.579 4.908 0.226 1.00 0.00 H new ATOM 0 HB2 GLU A 163 15.210 5.462 -2.315 1.00 0.00 H new ATOM 0 HB3 GLU A 163 13.711 4.557 -2.373 1.00 0.00 H new ATOM 0 HG2 GLU A 163 12.404 6.421 -1.641 1.00 0.00 H new ATOM 0 HG3 GLU A 163 13.791 7.251 -0.964 1.00 0.00 H new ATOM 778 N ASP A 164 14.079 2.503 0.126 1.00 0.00 N ATOM 779 CA ASP A 164 14.445 1.058 0.176 1.00 0.00 C ATOM 780 C ASP A 164 13.978 0.348 -1.098 1.00 0.00 C ATOM 781 O ASP A 164 12.801 0.123 -1.299 1.00 0.00 O ATOM 782 CB ASP A 164 13.710 0.506 1.398 1.00 0.00 C ATOM 783 CG ASP A 164 14.024 -0.983 1.553 1.00 0.00 C ATOM 784 OD1 ASP A 164 14.292 -1.621 0.548 1.00 0.00 O ATOM 785 OD2 ASP A 164 13.991 -1.461 2.676 1.00 0.00 O ATOM 0 H ASP A 164 13.152 2.728 0.486 1.00 0.00 H new ATOM 0 HA ASP A 164 15.522 0.907 0.245 1.00 0.00 H new ATOM 0 HB2 ASP A 164 14.014 1.048 2.294 1.00 0.00 H new ATOM 0 HB3 ASP A 164 12.636 0.652 1.286 1.00 0.00 H new