USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=14 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 148:sc= -1.49! USER MOD Set 1.2: A 132 CYS SG : rot -55:sc= -1.58! USER MOD Set 1.3: A 134 SER OG : rot 104:sc= 0.575 USER MOD Set 1.4: A 154 CYS SG : rot -70:sc= -6.67! USER MOD Set 1.5: A 157 CYS SG : rot -59:sc= -2.88! USER MOD Set 1.6: A 159 THR OG1 : rot 98:sc= -2.03! USER MOD Set 2.1: A 149 THR OG1 : rot -160:sc= 1.18 USER MOD Set 2.2: A 151 THR OG1 : rot 98:sc= 0.033 USER MOD Single : A 126 SER OG : rot -46:sc= 0.871 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 62:sc= -0.552! USER MOD Single : A 135 THR OG1 : rot 180:sc= -0.534 USER MOD Single : A 137 THR OG1 : rot -160:sc= -1.26 USER MOD Single : A 142 ASN : amide:sc= -0.826 K(o=-0.83,f=-2.7!) USER MOD Single : A 143 GLN : amide:sc= -0.616 X(o=-0.62,f=-0.42) USER MOD Single : A 148 MET CE :methyl -156:sc= -0.127 (180deg=-1.29) USER MOD Single : A 155 THR OG1 : rot -177:sc= -3.69! USER MOD Single : A 158 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 211 N SER A 126 8.601 3.461 0.575 1.00 0.00 N ATOM 212 CA SER A 126 9.117 3.368 1.970 1.00 0.00 C ATOM 213 C SER A 126 10.618 3.667 2.005 1.00 0.00 C ATOM 214 O SER A 126 11.400 3.056 1.302 1.00 0.00 O ATOM 215 CB SER A 126 8.847 1.927 2.397 1.00 0.00 C ATOM 216 OG SER A 126 8.675 1.119 1.239 1.00 0.00 O ATOM 0 HA SER A 126 8.638 4.087 2.634 1.00 0.00 H new ATOM 0 HB2 SER A 126 9.676 1.552 2.997 1.00 0.00 H new ATOM 0 HB3 SER A 126 7.955 1.882 3.022 1.00 0.00 H new ATOM 0 HG SER A 126 8.080 1.575 0.608 1.00 0.00 H new ATOM 222 N PHE A 127 11.026 4.600 2.820 1.00 0.00 N ATOM 223 CA PHE A 127 12.475 4.939 2.904 1.00 0.00 C ATOM 224 C PHE A 127 13.118 4.208 4.087 1.00 0.00 C ATOM 225 O PHE A 127 12.477 3.934 5.082 1.00 0.00 O ATOM 226 CB PHE A 127 12.513 6.453 3.118 1.00 0.00 C ATOM 227 CG PHE A 127 11.641 7.128 2.086 1.00 0.00 C ATOM 228 CD1 PHE A 127 10.269 7.287 2.324 1.00 0.00 C ATOM 229 CD2 PHE A 127 12.201 7.591 0.889 1.00 0.00 C ATOM 230 CE1 PHE A 127 9.461 7.911 1.365 1.00 0.00 C ATOM 231 CE2 PHE A 127 11.393 8.215 -0.067 1.00 0.00 C ATOM 232 CZ PHE A 127 10.022 8.375 0.169 1.00 0.00 C ATOM 0 H PHE A 127 10.418 5.143 3.433 1.00 0.00 H new ATOM 0 HA PHE A 127 13.025 4.641 2.011 1.00 0.00 H new ATOM 0 HB2 PHE A 127 12.164 6.698 4.121 1.00 0.00 H new ATOM 0 HB3 PHE A 127 13.537 6.817 3.039 1.00 0.00 H new ATOM 0 HD1 PHE A 127 9.835 6.929 3.246 1.00 0.00 H new ATOM 0 HD2 PHE A 127 13.258 7.466 0.704 1.00 0.00 H new ATOM 0 HE1 PHE A 127 8.404 8.034 1.548 1.00 0.00 H new ATOM 0 HE2 PHE A 127 11.827 8.574 -0.988 1.00 0.00 H new ATOM 0 HZ PHE A 127 9.398 8.856 -0.570 1.00 0.00 H new ATOM 242 N LYS A 128 14.380 3.892 3.988 1.00 0.00 N ATOM 243 CA LYS A 128 15.061 3.182 5.104 1.00 0.00 C ATOM 244 C LYS A 128 16.209 4.039 5.648 1.00 0.00 C ATOM 245 O LYS A 128 16.799 4.828 4.938 1.00 0.00 O ATOM 246 CB LYS A 128 15.589 1.881 4.486 1.00 0.00 C ATOM 247 CG LYS A 128 16.755 1.337 5.321 1.00 0.00 C ATOM 248 CD LYS A 128 16.635 -0.185 5.447 1.00 0.00 C ATOM 249 CE LYS A 128 16.264 -0.552 6.885 1.00 0.00 C ATOM 250 NZ LYS A 128 15.935 -2.004 6.839 1.00 0.00 N ATOM 0 H LYS A 128 14.969 4.096 3.180 1.00 0.00 H new ATOM 0 HA LYS A 128 14.393 2.984 5.942 1.00 0.00 H new ATOM 0 HB2 LYS A 128 14.790 1.141 4.438 1.00 0.00 H new ATOM 0 HB3 LYS A 128 15.918 2.062 3.463 1.00 0.00 H new ATOM 0 HG2 LYS A 128 17.704 1.599 4.852 1.00 0.00 H new ATOM 0 HG3 LYS A 128 16.751 1.795 6.310 1.00 0.00 H new ATOM 0 HD2 LYS A 128 15.877 -0.559 4.758 1.00 0.00 H new ATOM 0 HD3 LYS A 128 17.577 -0.658 5.171 1.00 0.00 H new ATOM 0 HE2 LYS A 128 17.090 -0.356 7.568 1.00 0.00 H new ATOM 0 HE3 LYS A 128 15.415 0.034 7.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 15.670 -2.330 7.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 15.141 -2.159 6.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 16.764 -2.538 6.508 1.00 0.00 H new ATOM 264 N CYS A 129 16.527 3.888 6.905 1.00 0.00 N ATOM 265 CA CYS A 129 17.632 4.688 7.498 1.00 0.00 C ATOM 266 C CYS A 129 18.901 3.836 7.604 1.00 0.00 C ATOM 267 O CYS A 129 18.863 2.727 8.095 1.00 0.00 O ATOM 268 CB CYS A 129 17.126 5.076 8.885 1.00 0.00 C ATOM 269 SG CYS A 129 18.355 6.103 9.711 1.00 0.00 S ATOM 0 H CYS A 129 16.067 3.243 7.547 1.00 0.00 H new ATOM 0 HA CYS A 129 17.888 5.560 6.896 1.00 0.00 H new ATOM 0 HB2 CYS A 129 16.183 5.616 8.801 1.00 0.00 H new ATOM 0 HB3 CYS A 129 16.929 4.181 9.475 1.00 0.00 H new ATOM 0 HG CYS A 129 17.756 6.955 10.489 1.00 0.00 H new ATOM 274 N PRO A 130 19.986 4.382 7.126 1.00 0.00 N ATOM 275 CA PRO A 130 21.282 3.658 7.157 1.00 0.00 C ATOM 276 C PRO A 130 21.898 3.662 8.563 1.00 0.00 C ATOM 277 O PRO A 130 22.753 2.855 8.870 1.00 0.00 O ATOM 278 CB PRO A 130 22.154 4.451 6.190 1.00 0.00 C ATOM 279 CG PRO A 130 21.572 5.831 6.174 1.00 0.00 C ATOM 280 CD PRO A 130 20.108 5.709 6.513 1.00 0.00 C ATOM 0 HA PRO A 130 21.178 2.607 6.886 1.00 0.00 H new ATOM 0 HB2 PRO A 130 23.193 4.466 6.519 1.00 0.00 H new ATOM 0 HB3 PRO A 130 22.141 4.007 5.195 1.00 0.00 H new ATOM 0 HG2 PRO A 130 22.081 6.470 6.896 1.00 0.00 H new ATOM 0 HG3 PRO A 130 21.702 6.291 5.194 1.00 0.00 H new ATOM 0 HD2 PRO A 130 19.792 6.495 7.199 1.00 0.00 H new ATOM 0 HD3 PRO A 130 19.485 5.794 5.622 1.00 0.00 H new ATOM 288 N VAL A 131 21.491 4.565 9.416 1.00 0.00 N ATOM 289 CA VAL A 131 22.084 4.604 10.786 1.00 0.00 C ATOM 290 C VAL A 131 21.333 3.670 11.738 1.00 0.00 C ATOM 291 O VAL A 131 21.827 2.623 12.106 1.00 0.00 O ATOM 292 CB VAL A 131 21.963 6.062 11.237 1.00 0.00 C ATOM 293 CG1 VAL A 131 22.095 6.147 12.760 1.00 0.00 C ATOM 294 CG2 VAL A 131 23.082 6.881 10.588 1.00 0.00 C ATOM 0 H VAL A 131 20.780 5.271 9.226 1.00 0.00 H new ATOM 0 HA VAL A 131 23.120 4.265 10.787 1.00 0.00 H new ATOM 0 HB VAL A 131 20.991 6.454 10.937 1.00 0.00 H new ATOM 0 HG11 VAL A 131 22.008 7.187 13.075 1.00 0.00 H new ATOM 0 HG12 VAL A 131 21.305 5.559 13.227 1.00 0.00 H new ATOM 0 HG13 VAL A 131 23.066 5.756 13.063 1.00 0.00 H new ATOM 0 HG21 VAL A 131 23.002 7.921 10.905 1.00 0.00 H new ATOM 0 HG22 VAL A 131 24.049 6.482 10.893 1.00 0.00 H new ATOM 0 HG23 VAL A 131 22.992 6.824 9.503 1.00 0.00 H new ATOM 304 N CYS A 132 20.151 4.036 12.148 1.00 0.00 N ATOM 305 CA CYS A 132 19.394 3.154 13.084 1.00 0.00 C ATOM 306 C CYS A 132 18.620 2.082 12.301 1.00 0.00 C ATOM 307 O CYS A 132 17.746 1.421 12.824 1.00 0.00 O ATOM 308 CB CYS A 132 18.463 4.086 13.869 1.00 0.00 C ATOM 309 SG CYS A 132 17.050 4.571 12.852 1.00 0.00 S ATOM 0 H CYS A 132 19.678 4.899 11.880 1.00 0.00 H new ATOM 0 HA CYS A 132 20.050 2.609 13.763 1.00 0.00 H new ATOM 0 HB2 CYS A 132 18.114 3.585 14.772 1.00 0.00 H new ATOM 0 HB3 CYS A 132 19.011 4.973 14.188 1.00 0.00 H new ATOM 0 HG CYS A 132 17.475 5.092 11.739 1.00 0.00 H new ATOM 314 N SER A 133 18.967 1.892 11.052 1.00 0.00 N ATOM 315 CA SER A 133 18.299 0.849 10.209 1.00 0.00 C ATOM 316 C SER A 133 16.776 0.910 10.328 1.00 0.00 C ATOM 317 O SER A 133 16.093 -0.070 10.108 1.00 0.00 O ATOM 318 CB SER A 133 18.820 -0.495 10.726 1.00 0.00 C ATOM 319 OG SER A 133 19.081 -0.408 12.119 1.00 0.00 O ATOM 0 H SER A 133 19.695 2.422 10.573 1.00 0.00 H new ATOM 0 HA SER A 133 18.526 1.002 9.154 1.00 0.00 H new ATOM 0 HB2 SER A 133 18.087 -1.278 10.533 1.00 0.00 H new ATOM 0 HB3 SER A 133 19.730 -0.772 10.193 1.00 0.00 H new ATOM 0 HG SER A 133 18.249 -0.206 12.596 1.00 0.00 H new ATOM 325 N SER A 134 16.231 2.046 10.652 1.00 0.00 N ATOM 326 CA SER A 134 14.751 2.142 10.751 1.00 0.00 C ATOM 327 C SER A 134 14.161 2.292 9.347 1.00 0.00 C ATOM 328 O SER A 134 14.872 2.247 8.362 1.00 0.00 O ATOM 329 CB SER A 134 14.488 3.387 11.589 1.00 0.00 C ATOM 330 OG SER A 134 14.738 3.095 12.957 1.00 0.00 O ATOM 0 H SER A 134 16.741 2.906 10.851 1.00 0.00 H new ATOM 0 HA SER A 134 14.297 1.259 11.201 1.00 0.00 H new ATOM 0 HB2 SER A 134 15.128 4.204 11.257 1.00 0.00 H new ATOM 0 HB3 SER A 134 13.457 3.716 11.458 1.00 0.00 H new ATOM 0 HG SER A 134 15.598 3.483 13.223 1.00 0.00 H new ATOM 336 N THR A 135 12.875 2.467 9.238 1.00 0.00 N ATOM 337 CA THR A 135 12.265 2.615 7.885 1.00 0.00 C ATOM 338 C THR A 135 11.008 3.482 7.955 1.00 0.00 C ATOM 339 O THR A 135 10.457 3.717 9.013 1.00 0.00 O ATOM 340 CB THR A 135 11.910 1.195 7.449 1.00 0.00 C ATOM 341 OG1 THR A 135 12.953 0.309 7.833 1.00 0.00 O ATOM 342 CG2 THR A 135 11.732 1.156 5.930 1.00 0.00 C ATOM 0 H THR A 135 12.222 2.514 10.020 1.00 0.00 H new ATOM 0 HA THR A 135 12.944 3.100 7.184 1.00 0.00 H new ATOM 0 HB THR A 135 10.980 0.888 7.927 1.00 0.00 H new ATOM 0 HG1 THR A 135 12.726 -0.603 7.555 1.00 0.00 H new ATOM 0 HG21 THR A 135 11.479 0.142 5.619 1.00 0.00 H new ATOM 0 HG22 THR A 135 10.931 1.835 5.640 1.00 0.00 H new ATOM 0 HG23 THR A 135 12.660 1.462 5.447 1.00 0.00 H new ATOM 350 N PHE A 136 10.549 3.957 6.830 1.00 0.00 N ATOM 351 CA PHE A 136 9.326 4.807 6.821 1.00 0.00 C ATOM 352 C PHE A 136 8.503 4.532 5.560 1.00 0.00 C ATOM 353 O PHE A 136 8.933 3.833 4.665 1.00 0.00 O ATOM 354 CB PHE A 136 9.842 6.246 6.815 1.00 0.00 C ATOM 355 CG PHE A 136 10.882 6.422 7.895 1.00 0.00 C ATOM 356 CD1 PHE A 136 10.491 6.777 9.191 1.00 0.00 C ATOM 357 CD2 PHE A 136 12.238 6.237 7.598 1.00 0.00 C ATOM 358 CE1 PHE A 136 11.456 6.948 10.191 1.00 0.00 C ATOM 359 CE2 PHE A 136 13.203 6.408 8.597 1.00 0.00 C ATOM 360 CZ PHE A 136 12.811 6.764 9.893 1.00 0.00 C ATOM 0 H PHE A 136 10.969 3.793 5.915 1.00 0.00 H new ATOM 0 HA PHE A 136 8.680 4.608 7.676 1.00 0.00 H new ATOM 0 HB2 PHE A 136 10.272 6.484 5.842 1.00 0.00 H new ATOM 0 HB3 PHE A 136 9.016 6.939 6.977 1.00 0.00 H new ATOM 0 HD1 PHE A 136 9.445 6.919 9.420 1.00 0.00 H new ATOM 0 HD2 PHE A 136 12.539 5.962 6.598 1.00 0.00 H new ATOM 0 HE1 PHE A 136 11.155 7.222 11.191 1.00 0.00 H new ATOM 0 HE2 PHE A 136 14.249 6.266 8.368 1.00 0.00 H new ATOM 0 HZ PHE A 136 13.555 6.897 10.664 1.00 0.00 H new ATOM 370 N THR A 137 7.323 5.083 5.486 1.00 0.00 N ATOM 371 CA THR A 137 6.463 4.866 4.286 1.00 0.00 C ATOM 372 C THR A 137 6.025 6.219 3.715 1.00 0.00 C ATOM 373 O THR A 137 6.358 7.261 4.243 1.00 0.00 O ATOM 374 CB THR A 137 5.255 4.081 4.798 1.00 0.00 C ATOM 375 OG1 THR A 137 4.953 4.493 6.125 1.00 0.00 O ATOM 376 CG2 THR A 137 5.571 2.585 4.785 1.00 0.00 C ATOM 0 H THR A 137 6.915 5.677 6.208 1.00 0.00 H new ATOM 0 HA THR A 137 6.982 4.331 3.490 1.00 0.00 H new ATOM 0 HB THR A 137 4.397 4.273 4.153 1.00 0.00 H new ATOM 0 HG1 THR A 137 4.413 3.805 6.566 1.00 0.00 H new ATOM 0 HG21 THR A 137 4.708 2.028 5.150 1.00 0.00 H new ATOM 0 HG22 THR A 137 5.801 2.271 3.767 1.00 0.00 H new ATOM 0 HG23 THR A 137 6.429 2.389 5.428 1.00 0.00 H new ATOM 384 N ASP A 138 5.284 6.213 2.642 1.00 0.00 N ATOM 385 CA ASP A 138 4.832 7.504 2.045 1.00 0.00 C ATOM 386 C ASP A 138 4.165 8.377 3.109 1.00 0.00 C ATOM 387 O ASP A 138 4.407 9.566 3.188 1.00 0.00 O ATOM 388 CB ASP A 138 3.823 7.121 0.961 1.00 0.00 C ATOM 389 CG ASP A 138 2.914 6.000 1.468 1.00 0.00 C ATOM 390 OD1 ASP A 138 2.121 6.264 2.358 1.00 0.00 O ATOM 391 OD2 ASP A 138 3.026 4.896 0.959 1.00 0.00 O ATOM 0 H ASP A 138 4.972 5.374 2.153 1.00 0.00 H new ATOM 0 HA ASP A 138 5.666 8.077 1.638 1.00 0.00 H new ATOM 0 HB2 ASP A 138 3.225 7.990 0.686 1.00 0.00 H new ATOM 0 HB3 ASP A 138 4.347 6.797 0.062 1.00 0.00 H new ATOM 396 N LEU A 139 3.329 7.804 3.931 1.00 0.00 N ATOM 397 CA LEU A 139 2.658 8.614 4.986 1.00 0.00 C ATOM 398 C LEU A 139 3.716 9.286 5.865 1.00 0.00 C ATOM 399 O LEU A 139 3.469 10.294 6.497 1.00 0.00 O ATOM 400 CB LEU A 139 1.822 7.614 5.792 1.00 0.00 C ATOM 401 CG LEU A 139 2.716 6.861 6.778 1.00 0.00 C ATOM 402 CD1 LEU A 139 2.697 7.578 8.130 1.00 0.00 C ATOM 403 CD2 LEU A 139 2.195 5.433 6.951 1.00 0.00 C ATOM 0 H LEU A 139 3.083 6.814 3.918 1.00 0.00 H new ATOM 0 HA LEU A 139 2.034 9.407 4.575 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.033 8.138 6.331 1.00 0.00 H new ATOM 0 HB3 LEU A 139 1.334 6.909 5.119 1.00 0.00 H new ATOM 0 HG LEU A 139 3.736 6.831 6.395 1.00 0.00 H new ATOM 0 HD11 LEU A 139 3.334 7.043 8.835 1.00 0.00 H new ATOM 0 HD12 LEU A 139 3.067 8.596 8.007 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.677 7.607 8.512 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.832 4.896 7.654 1.00 0.00 H new ATOM 0 HD22 LEU A 139 1.175 5.462 7.335 1.00 0.00 H new ATOM 0 HD23 LEU A 139 2.206 4.922 5.988 1.00 0.00 H new ATOM 415 N GLU A 140 4.898 8.733 5.897 1.00 0.00 N ATOM 416 CA GLU A 140 5.984 9.333 6.719 1.00 0.00 C ATOM 417 C GLU A 140 6.846 10.245 5.842 1.00 0.00 C ATOM 418 O GLU A 140 7.612 11.053 6.329 1.00 0.00 O ATOM 419 CB GLU A 140 6.801 8.144 7.221 1.00 0.00 C ATOM 420 CG GLU A 140 5.861 7.059 7.751 1.00 0.00 C ATOM 421 CD GLU A 140 6.625 6.146 8.711 1.00 0.00 C ATOM 422 OE1 GLU A 140 7.186 6.659 9.666 1.00 0.00 O ATOM 423 OE2 GLU A 140 6.636 4.949 8.476 1.00 0.00 O ATOM 0 H GLU A 140 5.158 7.889 5.387 1.00 0.00 H new ATOM 0 HA GLU A 140 5.604 9.938 7.542 1.00 0.00 H new ATOM 0 HB2 GLU A 140 7.414 7.745 6.413 1.00 0.00 H new ATOM 0 HB3 GLU A 140 7.482 8.465 8.009 1.00 0.00 H new ATOM 0 HG2 GLU A 140 5.014 7.515 8.263 1.00 0.00 H new ATOM 0 HG3 GLU A 140 5.457 6.477 6.923 1.00 0.00 H new ATOM 430 N ALA A 141 6.724 10.114 4.549 1.00 0.00 N ATOM 431 CA ALA A 141 7.532 10.964 3.629 1.00 0.00 C ATOM 432 C ALA A 141 7.113 12.432 3.756 1.00 0.00 C ATOM 433 O ALA A 141 7.927 13.329 3.671 1.00 0.00 O ATOM 434 CB ALA A 141 7.220 10.432 2.229 1.00 0.00 C ATOM 0 H ALA A 141 6.098 9.453 4.089 1.00 0.00 H new ATOM 0 HA ALA A 141 8.598 10.922 3.854 1.00 0.00 H new ATOM 0 HB1 ALA A 141 7.777 11.006 1.489 1.00 0.00 H new ATOM 0 HB2 ALA A 141 7.508 9.383 2.166 1.00 0.00 H new ATOM 0 HB3 ALA A 141 6.152 10.528 2.033 1.00 0.00 H new ATOM 440 N ASN A 142 5.849 12.683 3.962 1.00 0.00 N ATOM 441 CA ASN A 142 5.382 14.094 4.098 1.00 0.00 C ATOM 442 C ASN A 142 5.894 14.695 5.409 1.00 0.00 C ATOM 443 O ASN A 142 5.978 15.898 5.563 1.00 0.00 O ATOM 444 CB ASN A 142 3.856 14.006 4.111 1.00 0.00 C ATOM 445 CG ASN A 142 3.387 13.118 2.958 1.00 0.00 C ATOM 446 OD1 ASN A 142 4.138 12.844 2.043 1.00 0.00 O ATOM 447 ND2 ASN A 142 2.168 12.652 2.964 1.00 0.00 N ATOM 0 H ASN A 142 5.120 11.974 4.042 1.00 0.00 H new ATOM 0 HA ASN A 142 5.748 14.730 3.292 1.00 0.00 H new ATOM 0 HB2 ASN A 142 3.513 13.598 5.062 1.00 0.00 H new ATOM 0 HB3 ASN A 142 3.423 15.002 4.017 1.00 0.00 H new ATOM 0 HD21 ASN A 142 1.845 12.058 2.200 1.00 0.00 H new ATOM 0 HD22 ASN A 142 1.538 12.882 3.732 1.00 0.00 H new ATOM 454 N GLN A 143 6.236 13.865 6.357 1.00 0.00 N ATOM 455 CA GLN A 143 6.741 14.385 7.661 1.00 0.00 C ATOM 456 C GLN A 143 8.252 14.164 7.769 1.00 0.00 C ATOM 457 O GLN A 143 8.944 14.875 8.470 1.00 0.00 O ATOM 458 CB GLN A 143 6.000 13.572 8.723 1.00 0.00 C ATOM 459 CG GLN A 143 6.244 12.080 8.486 1.00 0.00 C ATOM 460 CD GLN A 143 5.907 11.298 9.758 1.00 0.00 C ATOM 461 OE1 GLN A 143 6.689 11.259 10.686 1.00 0.00 O ATOM 462 NE2 GLN A 143 4.766 10.667 9.839 1.00 0.00 N ATOM 0 H GLN A 143 6.188 12.849 6.285 1.00 0.00 H new ATOM 0 HA GLN A 143 6.570 15.455 7.775 1.00 0.00 H new ATOM 0 HB2 GLN A 143 6.344 13.854 9.718 1.00 0.00 H new ATOM 0 HB3 GLN A 143 4.932 13.788 8.682 1.00 0.00 H new ATOM 0 HG2 GLN A 143 5.630 11.728 7.657 1.00 0.00 H new ATOM 0 HG3 GLN A 143 7.284 11.911 8.207 1.00 0.00 H new ATOM 0 HE21 GLN A 143 4.109 10.700 9.060 1.00 0.00 H new ATOM 0 HE22 GLN A 143 4.532 10.142 10.682 1.00 0.00 H new ATOM 471 N LEU A 144 8.769 13.182 7.082 1.00 0.00 N ATOM 472 CA LEU A 144 10.235 12.916 7.146 1.00 0.00 C ATOM 473 C LEU A 144 10.978 13.800 6.141 1.00 0.00 C ATOM 474 O LEU A 144 12.181 13.955 6.205 1.00 0.00 O ATOM 475 CB LEU A 144 10.385 11.443 6.765 1.00 0.00 C ATOM 476 CG LEU A 144 9.966 10.560 7.942 1.00 0.00 C ATOM 477 CD1 LEU A 144 9.715 9.135 7.444 1.00 0.00 C ATOM 478 CD2 LEU A 144 11.083 10.542 8.990 1.00 0.00 C ATOM 0 H LEU A 144 8.240 12.552 6.479 1.00 0.00 H new ATOM 0 HA LEU A 144 10.650 13.132 8.131 1.00 0.00 H new ATOM 0 HB2 LEU A 144 9.771 11.219 5.893 1.00 0.00 H new ATOM 0 HB3 LEU A 144 11.418 11.232 6.490 1.00 0.00 H new ATOM 0 HG LEU A 144 9.054 10.957 8.388 1.00 0.00 H new ATOM 0 HD11 LEU A 144 9.416 8.504 8.281 1.00 0.00 H new ATOM 0 HD12 LEU A 144 8.922 9.145 6.696 1.00 0.00 H new ATOM 0 HD13 LEU A 144 10.628 8.739 6.999 1.00 0.00 H new ATOM 0 HD21 LEU A 144 10.785 9.913 9.829 1.00 0.00 H new ATOM 0 HD22 LEU A 144 11.994 10.144 8.544 1.00 0.00 H new ATOM 0 HD23 LEU A 144 11.266 11.556 9.344 1.00 0.00 H new ATOM 490 N PHE A 145 10.269 14.374 5.208 1.00 0.00 N ATOM 491 CA PHE A 145 10.932 15.240 4.192 1.00 0.00 C ATOM 492 C PHE A 145 11.342 16.580 4.810 1.00 0.00 C ATOM 493 O PHE A 145 10.589 17.197 5.538 1.00 0.00 O ATOM 494 CB PHE A 145 9.878 15.447 3.105 1.00 0.00 C ATOM 495 CG PHE A 145 10.517 16.092 1.897 1.00 0.00 C ATOM 496 CD1 PHE A 145 11.505 15.409 1.180 1.00 0.00 C ATOM 497 CD2 PHE A 145 10.118 17.373 1.496 1.00 0.00 C ATOM 498 CE1 PHE A 145 12.097 16.005 0.061 1.00 0.00 C ATOM 499 CE2 PHE A 145 10.710 17.970 0.376 1.00 0.00 C ATOM 500 CZ PHE A 145 11.700 17.286 -0.341 1.00 0.00 C ATOM 0 H PHE A 145 9.258 14.281 5.105 1.00 0.00 H new ATOM 0 HA PHE A 145 11.843 14.789 3.799 1.00 0.00 H new ATOM 0 HB2 PHE A 145 9.434 14.491 2.827 1.00 0.00 H new ATOM 0 HB3 PHE A 145 9.071 16.076 3.482 1.00 0.00 H new ATOM 0 HD1 PHE A 145 11.811 14.421 1.490 1.00 0.00 H new ATOM 0 HD2 PHE A 145 9.355 17.900 2.050 1.00 0.00 H new ATOM 0 HE1 PHE A 145 12.860 15.477 -0.492 1.00 0.00 H new ATOM 0 HE2 PHE A 145 10.403 18.958 0.065 1.00 0.00 H new ATOM 0 HZ PHE A 145 12.157 17.747 -1.204 1.00 0.00 H new ATOM 510 N ASP A 146 12.530 17.034 4.520 1.00 0.00 N ATOM 511 CA ASP A 146 12.995 18.337 5.082 1.00 0.00 C ATOM 512 C ASP A 146 13.619 19.189 3.974 1.00 0.00 C ATOM 513 O ASP A 146 14.359 18.690 3.151 1.00 0.00 O ATOM 514 CB ASP A 146 14.046 17.966 6.130 1.00 0.00 C ATOM 515 CG ASP A 146 13.367 17.291 7.324 1.00 0.00 C ATOM 516 OD1 ASP A 146 12.170 17.067 7.253 1.00 0.00 O ATOM 517 OD2 ASP A 146 14.058 17.012 8.291 1.00 0.00 O ATOM 0 H ASP A 146 13.202 16.559 3.917 1.00 0.00 H new ATOM 0 HA ASP A 146 12.180 18.918 5.514 1.00 0.00 H new ATOM 0 HB2 ASP A 146 14.787 17.296 5.694 1.00 0.00 H new ATOM 0 HB3 ASP A 146 14.577 18.859 6.458 1.00 0.00 H new ATOM 522 N PRO A 147 13.294 20.454 3.989 1.00 0.00 N ATOM 523 CA PRO A 147 13.827 21.389 2.967 1.00 0.00 C ATOM 524 C PRO A 147 15.312 21.674 3.216 1.00 0.00 C ATOM 525 O PRO A 147 16.042 22.040 2.316 1.00 0.00 O ATOM 526 CB PRO A 147 12.992 22.651 3.168 1.00 0.00 C ATOM 527 CG PRO A 147 12.530 22.585 4.589 1.00 0.00 C ATOM 528 CD PRO A 147 12.409 21.126 4.947 1.00 0.00 C ATOM 0 HA PRO A 147 13.762 20.994 1.953 1.00 0.00 H new ATOM 0 HB2 PRO A 147 13.583 23.549 2.986 1.00 0.00 H new ATOM 0 HB3 PRO A 147 12.148 22.680 2.479 1.00 0.00 H new ATOM 0 HG2 PRO A 147 13.239 23.086 5.248 1.00 0.00 H new ATOM 0 HG3 PRO A 147 11.572 23.091 4.707 1.00 0.00 H new ATOM 0 HD2 PRO A 147 12.718 20.940 5.975 1.00 0.00 H new ATOM 0 HD3 PRO A 147 11.381 20.776 4.855 1.00 0.00 H new ATOM 536 N MET A 148 15.764 21.511 4.429 1.00 0.00 N ATOM 537 CA MET A 148 17.202 21.776 4.729 1.00 0.00 C ATOM 538 C MET A 148 18.100 20.860 3.890 1.00 0.00 C ATOM 539 O MET A 148 19.118 21.278 3.376 1.00 0.00 O ATOM 540 CB MET A 148 17.360 21.467 6.219 1.00 0.00 C ATOM 541 CG MET A 148 17.026 19.997 6.472 1.00 0.00 C ATOM 542 SD MET A 148 16.725 19.745 8.238 1.00 0.00 S ATOM 543 CE MET A 148 18.297 20.416 8.832 1.00 0.00 C ATOM 0 H MET A 148 15.203 21.207 5.224 1.00 0.00 H new ATOM 0 HA MET A 148 17.490 22.800 4.493 1.00 0.00 H new ATOM 0 HB2 MET A 148 18.380 21.680 6.539 1.00 0.00 H new ATOM 0 HB3 MET A 148 16.701 22.107 6.806 1.00 0.00 H new ATOM 0 HG2 MET A 148 16.146 19.708 5.897 1.00 0.00 H new ATOM 0 HG3 MET A 148 17.847 19.363 6.138 1.00 0.00 H new ATOM 0 HE1 MET A 148 18.525 19.995 9.811 1.00 0.00 H new ATOM 0 HE2 MET A 148 19.091 20.157 8.132 1.00 0.00 H new ATOM 0 HE3 MET A 148 18.223 21.501 8.911 1.00 0.00 H new ATOM 553 N THR A 149 17.732 19.616 3.747 1.00 0.00 N ATOM 554 CA THR A 149 18.569 18.679 2.939 1.00 0.00 C ATOM 555 C THR A 149 17.884 18.375 1.604 1.00 0.00 C ATOM 556 O THR A 149 18.503 17.901 0.673 1.00 0.00 O ATOM 557 CB THR A 149 18.680 17.409 3.784 1.00 0.00 C ATOM 558 OG1 THR A 149 19.304 16.388 3.017 1.00 0.00 O ATOM 559 CG2 THR A 149 17.283 16.950 4.207 1.00 0.00 C ATOM 0 H THR A 149 16.890 19.207 4.153 1.00 0.00 H new ATOM 0 HA THR A 149 19.548 19.099 2.707 1.00 0.00 H new ATOM 0 HB THR A 149 19.276 17.614 4.673 1.00 0.00 H new ATOM 0 HG1 THR A 149 19.095 15.513 3.406 1.00 0.00 H new ATOM 0 HG21 THR A 149 17.364 16.045 4.809 1.00 0.00 H new ATOM 0 HG22 THR A 149 16.804 17.734 4.794 1.00 0.00 H new ATOM 0 HG23 THR A 149 16.684 16.743 3.320 1.00 0.00 H new ATOM 567 N GLY A 150 16.611 18.641 1.505 1.00 0.00 N ATOM 568 CA GLY A 150 15.892 18.364 0.230 1.00 0.00 C ATOM 569 C GLY A 150 15.532 16.879 0.160 1.00 0.00 C ATOM 570 O GLY A 150 15.116 16.378 -0.867 1.00 0.00 O ATOM 0 H GLY A 150 16.038 19.037 2.250 1.00 0.00 H new ATOM 0 HA2 GLY A 150 14.989 18.971 0.170 1.00 0.00 H new ATOM 0 HA3 GLY A 150 16.517 18.638 -0.620 1.00 0.00 H new ATOM 574 N THR A 151 15.690 16.169 1.243 1.00 0.00 N ATOM 575 CA THR A 151 15.358 14.716 1.241 1.00 0.00 C ATOM 576 C THR A 151 14.530 14.363 2.478 1.00 0.00 C ATOM 577 O THR A 151 13.867 15.203 3.053 1.00 0.00 O ATOM 578 CB THR A 151 16.711 14.002 1.280 1.00 0.00 C ATOM 579 OG1 THR A 151 17.688 14.809 0.639 1.00 0.00 O ATOM 580 CG2 THR A 151 16.604 12.657 0.558 1.00 0.00 C ATOM 0 H THR A 151 16.035 16.533 2.131 1.00 0.00 H new ATOM 0 HA THR A 151 14.769 14.427 0.371 1.00 0.00 H new ATOM 0 HB THR A 151 17.002 13.832 2.317 1.00 0.00 H new ATOM 0 HG1 THR A 151 18.187 15.316 1.313 1.00 0.00 H new ATOM 0 HG21 THR A 151 17.569 12.151 0.587 1.00 0.00 H new ATOM 0 HG22 THR A 151 15.854 12.038 1.051 1.00 0.00 H new ATOM 0 HG23 THR A 151 16.313 12.823 -0.479 1.00 0.00 H new ATOM 588 N PHE A 152 14.563 13.127 2.893 1.00 0.00 N ATOM 589 CA PHE A 152 13.780 12.724 4.095 1.00 0.00 C ATOM 590 C PHE A 152 14.725 12.418 5.257 1.00 0.00 C ATOM 591 O PHE A 152 15.656 11.647 5.127 1.00 0.00 O ATOM 592 CB PHE A 152 13.019 11.469 3.667 1.00 0.00 C ATOM 593 CG PHE A 152 12.077 11.823 2.541 1.00 0.00 C ATOM 594 CD1 PHE A 152 12.570 11.977 1.241 1.00 0.00 C ATOM 595 CD2 PHE A 152 10.713 12.001 2.799 1.00 0.00 C ATOM 596 CE1 PHE A 152 11.700 12.309 0.197 1.00 0.00 C ATOM 597 CE2 PHE A 152 9.841 12.334 1.755 1.00 0.00 C ATOM 598 CZ PHE A 152 10.335 12.488 0.453 1.00 0.00 C ATOM 0 H PHE A 152 15.098 12.379 2.452 1.00 0.00 H new ATOM 0 HA PHE A 152 13.105 13.509 4.436 1.00 0.00 H new ATOM 0 HB2 PHE A 152 13.718 10.697 3.344 1.00 0.00 H new ATOM 0 HB3 PHE A 152 12.461 11.062 4.510 1.00 0.00 H new ATOM 0 HD1 PHE A 152 13.623 11.840 1.043 1.00 0.00 H new ATOM 0 HD2 PHE A 152 10.333 11.882 3.803 1.00 0.00 H new ATOM 0 HE1 PHE A 152 12.081 12.427 -0.807 1.00 0.00 H new ATOM 0 HE2 PHE A 152 8.788 12.472 1.953 1.00 0.00 H new ATOM 0 HZ PHE A 152 9.663 12.745 -0.353 1.00 0.00 H new ATOM 608 N ARG A 153 14.501 13.023 6.389 1.00 0.00 N ATOM 609 CA ARG A 153 15.396 12.770 7.552 1.00 0.00 C ATOM 610 C ARG A 153 14.719 11.845 8.564 1.00 0.00 C ATOM 611 O ARG A 153 13.550 11.984 8.869 1.00 0.00 O ATOM 612 CB ARG A 153 15.647 14.146 8.171 1.00 0.00 C ATOM 613 CG ARG A 153 16.835 14.811 7.472 1.00 0.00 C ATOM 614 CD ARG A 153 17.392 15.929 8.356 1.00 0.00 C ATOM 615 NE ARG A 153 18.526 15.305 9.092 1.00 0.00 N ATOM 616 CZ ARG A 153 19.274 16.034 9.875 1.00 0.00 C ATOM 617 NH1 ARG A 153 18.745 17.013 10.557 1.00 0.00 N ATOM 618 NH2 ARG A 153 20.552 15.783 9.975 1.00 0.00 N ATOM 0 H ARG A 153 13.739 13.680 6.559 1.00 0.00 H new ATOM 0 HA ARG A 153 16.322 12.281 7.251 1.00 0.00 H new ATOM 0 HB2 ARG A 153 14.758 14.769 8.072 1.00 0.00 H new ATOM 0 HB3 ARG A 153 15.849 14.046 9.237 1.00 0.00 H new ATOM 0 HG2 ARG A 153 17.611 14.073 7.270 1.00 0.00 H new ATOM 0 HG3 ARG A 153 16.523 15.216 6.509 1.00 0.00 H new ATOM 0 HD2 ARG A 153 17.727 16.776 7.758 1.00 0.00 H new ATOM 0 HD3 ARG A 153 16.634 16.305 9.043 1.00 0.00 H new ATOM 0 HE ARG A 153 18.718 14.309 8.984 1.00 0.00 H new ATOM 0 HH11 ARG A 153 17.747 17.209 10.478 1.00 0.00 H new ATOM 0 HH12 ARG A 153 19.330 17.583 11.169 1.00 0.00 H new ATOM 0 HH21 ARG A 153 20.965 15.018 9.441 1.00 0.00 H new ATOM 0 HH22 ARG A 153 21.137 16.352 10.587 1.00 0.00 H new ATOM 632 N CYS A 154 15.454 10.907 9.090 1.00 0.00 N ATOM 633 CA CYS A 154 14.883 9.965 10.093 1.00 0.00 C ATOM 634 C CYS A 154 14.053 10.736 11.124 1.00 0.00 C ATOM 635 O CYS A 154 14.039 11.951 11.138 1.00 0.00 O ATOM 636 CB CYS A 154 16.113 9.343 10.748 1.00 0.00 C ATOM 637 SG CYS A 154 15.657 7.855 11.663 1.00 0.00 S ATOM 0 H CYS A 154 16.437 10.751 8.866 1.00 0.00 H new ATOM 0 HA CYS A 154 14.220 9.220 9.654 1.00 0.00 H new ATOM 0 HB2 CYS A 154 16.853 9.096 9.986 1.00 0.00 H new ATOM 0 HB3 CYS A 154 16.577 10.063 11.422 1.00 0.00 H new ATOM 0 HG CYS A 154 14.975 8.187 12.719 1.00 0.00 H new ATOM 642 N THR A 155 13.360 10.046 11.988 1.00 0.00 N ATOM 643 CA THR A 155 12.538 10.757 13.009 1.00 0.00 C ATOM 644 C THR A 155 13.040 10.443 14.420 1.00 0.00 C ATOM 645 O THR A 155 12.724 11.139 15.365 1.00 0.00 O ATOM 646 CB THR A 155 11.110 10.241 12.814 1.00 0.00 C ATOM 647 OG1 THR A 155 11.075 9.317 11.734 1.00 0.00 O ATOM 648 CG2 THR A 155 10.180 11.417 12.511 1.00 0.00 C ATOM 0 H THR A 155 13.327 9.027 12.032 1.00 0.00 H new ATOM 0 HA THR A 155 12.595 11.839 12.892 1.00 0.00 H new ATOM 0 HB THR A 155 10.781 9.741 13.725 1.00 0.00 H new ATOM 0 HG1 THR A 155 10.152 9.025 11.583 1.00 0.00 H new ATOM 0 HG21 THR A 155 9.163 11.050 12.372 1.00 0.00 H new ATOM 0 HG22 THR A 155 10.201 12.121 13.343 1.00 0.00 H new ATOM 0 HG23 THR A 155 10.512 11.919 11.602 1.00 0.00 H new ATOM 656 N PHE A 156 13.823 9.410 14.578 1.00 0.00 N ATOM 657 CA PHE A 156 14.337 9.077 15.937 1.00 0.00 C ATOM 658 C PHE A 156 15.837 9.346 16.006 1.00 0.00 C ATOM 659 O PHE A 156 16.339 9.891 16.970 1.00 0.00 O ATOM 660 CB PHE A 156 14.043 7.590 16.190 1.00 0.00 C ATOM 661 CG PHE A 156 13.415 6.932 14.981 1.00 0.00 C ATOM 662 CD1 PHE A 156 14.213 6.551 13.899 1.00 0.00 C ATOM 663 CD2 PHE A 156 12.033 6.709 14.946 1.00 0.00 C ATOM 664 CE1 PHE A 156 13.631 5.948 12.781 1.00 0.00 C ATOM 665 CE2 PHE A 156 11.450 6.104 13.825 1.00 0.00 C ATOM 666 CZ PHE A 156 12.250 5.724 12.743 1.00 0.00 C ATOM 0 H PHE A 156 14.127 8.786 13.830 1.00 0.00 H new ATOM 0 HA PHE A 156 13.853 9.691 16.696 1.00 0.00 H new ATOM 0 HB2 PHE A 156 14.968 7.074 16.446 1.00 0.00 H new ATOM 0 HB3 PHE A 156 13.376 7.491 17.046 1.00 0.00 H new ATOM 0 HD1 PHE A 156 15.279 6.723 13.927 1.00 0.00 H new ATOM 0 HD2 PHE A 156 11.417 7.003 15.783 1.00 0.00 H new ATOM 0 HE1 PHE A 156 14.248 5.654 11.945 1.00 0.00 H new ATOM 0 HE2 PHE A 156 10.384 5.931 13.797 1.00 0.00 H new ATOM 0 HZ PHE A 156 11.802 5.258 11.878 1.00 0.00 H new ATOM 676 N CYS A 157 16.559 8.983 14.986 1.00 0.00 N ATOM 677 CA CYS A 157 18.025 9.235 14.992 1.00 0.00 C ATOM 678 C CYS A 157 18.363 10.318 13.947 1.00 0.00 C ATOM 679 O CYS A 157 19.509 10.565 13.629 1.00 0.00 O ATOM 680 CB CYS A 157 18.663 7.861 14.700 1.00 0.00 C ATOM 681 SG CYS A 157 19.175 7.710 12.972 1.00 0.00 S ATOM 0 H CYS A 157 16.199 8.524 14.150 1.00 0.00 H new ATOM 0 HA CYS A 157 18.408 9.623 15.936 1.00 0.00 H new ATOM 0 HB2 CYS A 157 19.527 7.716 15.349 1.00 0.00 H new ATOM 0 HB3 CYS A 157 17.950 7.072 14.938 1.00 0.00 H new ATOM 0 HG CYS A 157 18.144 7.875 12.198 1.00 0.00 H new ATOM 686 N HIS A 158 17.350 10.983 13.450 1.00 0.00 N ATOM 687 CA HIS A 158 17.541 12.088 12.457 1.00 0.00 C ATOM 688 C HIS A 158 18.602 11.769 11.395 1.00 0.00 C ATOM 689 O HIS A 158 19.196 12.664 10.828 1.00 0.00 O ATOM 690 CB HIS A 158 17.971 13.291 13.295 1.00 0.00 C ATOM 691 CG HIS A 158 16.746 14.000 13.807 1.00 0.00 C ATOM 692 ND1 HIS A 158 16.171 15.062 13.129 1.00 0.00 N ATOM 693 CD2 HIS A 158 15.971 13.803 14.923 1.00 0.00 C ATOM 694 CE1 HIS A 158 15.098 15.461 13.835 1.00 0.00 C ATOM 695 NE2 HIS A 158 14.930 14.728 14.939 1.00 0.00 N ATOM 0 H HIS A 158 16.377 10.803 13.696 1.00 0.00 H new ATOM 0 HA HIS A 158 16.624 12.260 11.893 1.00 0.00 H new ATOM 0 HB2 HIS A 158 18.592 12.965 14.129 1.00 0.00 H new ATOM 0 HB3 HIS A 158 18.575 13.971 12.694 1.00 0.00 H new ATOM 0 HD2 HIS A 158 16.142 13.046 15.674 1.00 0.00 H new ATOM 0 HE1 HIS A 158 14.451 16.275 13.545 1.00 0.00 H new ATOM 0 HE2 HIS A 158 14.197 14.825 15.642 1.00 0.00 H new ATOM 703 N THR A 159 18.836 10.524 11.092 1.00 0.00 N ATOM 704 CA THR A 159 19.845 10.212 10.039 1.00 0.00 C ATOM 705 C THR A 159 19.177 10.273 8.661 1.00 0.00 C ATOM 706 O THR A 159 17.985 10.078 8.532 1.00 0.00 O ATOM 707 CB THR A 159 20.330 8.796 10.342 1.00 0.00 C ATOM 708 OG1 THR A 159 21.176 8.826 11.485 1.00 0.00 O ATOM 709 CG2 THR A 159 21.109 8.248 9.143 1.00 0.00 C ATOM 0 H THR A 159 18.381 9.718 11.520 1.00 0.00 H new ATOM 0 HA THR A 159 20.674 10.920 10.033 1.00 0.00 H new ATOM 0 HB THR A 159 19.472 8.152 10.536 1.00 0.00 H new ATOM 0 HG1 THR A 159 20.660 8.578 12.280 1.00 0.00 H new ATOM 0 HG21 THR A 159 21.453 7.238 9.364 1.00 0.00 H new ATOM 0 HG22 THR A 159 20.461 8.227 8.267 1.00 0.00 H new ATOM 0 HG23 THR A 159 21.968 8.888 8.944 1.00 0.00 H new ATOM 717 N GLU A 160 19.931 10.543 7.631 1.00 0.00 N ATOM 718 CA GLU A 160 19.328 10.616 6.268 1.00 0.00 C ATOM 719 C GLU A 160 18.779 9.248 5.853 1.00 0.00 C ATOM 720 O GLU A 160 19.465 8.247 5.917 1.00 0.00 O ATOM 721 CB GLU A 160 20.473 11.035 5.347 1.00 0.00 C ATOM 722 CG GLU A 160 19.970 12.082 4.351 1.00 0.00 C ATOM 723 CD GLU A 160 20.326 13.481 4.857 1.00 0.00 C ATOM 724 OE1 GLU A 160 21.287 13.593 5.601 1.00 0.00 O ATOM 725 OE2 GLU A 160 19.632 14.416 4.492 1.00 0.00 O ATOM 0 H GLU A 160 20.935 10.716 7.673 1.00 0.00 H new ATOM 0 HA GLU A 160 18.494 11.317 6.226 1.00 0.00 H new ATOM 0 HB2 GLU A 160 21.296 11.442 5.934 1.00 0.00 H new ATOM 0 HB3 GLU A 160 20.861 10.167 4.814 1.00 0.00 H new ATOM 0 HG2 GLU A 160 20.418 11.913 3.372 1.00 0.00 H new ATOM 0 HG3 GLU A 160 18.891 11.992 4.227 1.00 0.00 H new ATOM 732 N VAL A 161 17.547 9.198 5.422 1.00 0.00 N ATOM 733 CA VAL A 161 16.957 7.895 4.999 1.00 0.00 C ATOM 734 C VAL A 161 17.059 7.740 3.479 1.00 0.00 C ATOM 735 O VAL A 161 17.395 8.670 2.773 1.00 0.00 O ATOM 736 CB VAL A 161 15.493 7.956 5.432 1.00 0.00 C ATOM 737 CG1 VAL A 161 15.416 8.135 6.949 1.00 0.00 C ATOM 738 CG2 VAL A 161 14.806 9.140 4.745 1.00 0.00 C ATOM 0 H VAL A 161 16.924 10.002 5.345 1.00 0.00 H new ATOM 0 HA VAL A 161 17.476 7.046 5.444 1.00 0.00 H new ATOM 0 HB VAL A 161 14.993 7.030 5.149 1.00 0.00 H new ATOM 0 HG11 VAL A 161 14.372 8.179 7.258 1.00 0.00 H new ATOM 0 HG12 VAL A 161 15.905 7.293 7.440 1.00 0.00 H new ATOM 0 HG13 VAL A 161 15.917 9.061 7.232 1.00 0.00 H new ATOM 0 HG21 VAL A 161 13.762 9.184 5.054 1.00 0.00 H new ATOM 0 HG22 VAL A 161 15.307 10.066 5.028 1.00 0.00 H new ATOM 0 HG23 VAL A 161 14.860 9.014 3.664 1.00 0.00 H new ATOM 748 N GLU A 162 16.770 6.574 2.971 1.00 0.00 N ATOM 749 CA GLU A 162 16.849 6.364 1.497 1.00 0.00 C ATOM 750 C GLU A 162 15.703 5.465 1.028 1.00 0.00 C ATOM 751 O GLU A 162 15.315 4.535 1.706 1.00 0.00 O ATOM 752 CB GLU A 162 18.195 5.676 1.268 1.00 0.00 C ATOM 753 CG GLU A 162 19.329 6.657 1.574 1.00 0.00 C ATOM 754 CD GLU A 162 20.551 6.307 0.721 1.00 0.00 C ATOM 755 OE1 GLU A 162 21.138 5.264 0.961 1.00 0.00 O ATOM 756 OE2 GLU A 162 20.880 7.088 -0.156 1.00 0.00 O ATOM 0 H GLU A 162 16.483 5.758 3.512 1.00 0.00 H new ATOM 0 HA GLU A 162 16.767 7.299 0.942 1.00 0.00 H new ATOM 0 HB2 GLU A 162 18.279 4.796 1.906 1.00 0.00 H new ATOM 0 HB3 GLU A 162 18.268 5.330 0.237 1.00 0.00 H new ATOM 0 HG2 GLU A 162 19.007 7.677 1.366 1.00 0.00 H new ATOM 0 HG3 GLU A 162 19.586 6.613 2.632 1.00 0.00 H new ATOM 763 N GLU A 163 15.158 5.733 -0.128 1.00 0.00 N ATOM 764 CA GLU A 163 14.039 4.888 -0.634 1.00 0.00 C ATOM 765 C GLU A 163 14.419 3.407 -0.542 1.00 0.00 C ATOM 766 O GLU A 163 15.452 2.991 -1.031 1.00 0.00 O ATOM 767 CB GLU A 163 13.851 5.307 -2.093 1.00 0.00 C ATOM 768 CG GLU A 163 13.211 6.696 -2.147 1.00 0.00 C ATOM 769 CD GLU A 163 13.822 7.497 -3.299 1.00 0.00 C ATOM 770 OE1 GLU A 163 14.526 6.902 -4.099 1.00 0.00 O ATOM 771 OE2 GLU A 163 13.575 8.689 -3.362 1.00 0.00 O ATOM 0 H GLU A 163 15.438 6.498 -0.742 1.00 0.00 H new ATOM 0 HA GLU A 163 13.125 5.020 -0.055 1.00 0.00 H new ATOM 0 HB2 GLU A 163 14.813 5.318 -2.606 1.00 0.00 H new ATOM 0 HB3 GLU A 163 13.221 4.584 -2.612 1.00 0.00 H new ATOM 0 HG2 GLU A 163 12.133 6.606 -2.284 1.00 0.00 H new ATOM 0 HG3 GLU A 163 13.370 7.218 -1.203 1.00 0.00 H new ATOM 778 N ASP A 164 13.598 2.610 0.084 1.00 0.00 N ATOM 779 CA ASP A 164 13.919 1.159 0.211 1.00 0.00 C ATOM 780 C ASP A 164 13.342 0.378 -0.973 1.00 0.00 C ATOM 781 O ASP A 164 12.142 0.263 -1.127 1.00 0.00 O ATOM 782 CB ASP A 164 13.254 0.721 1.517 1.00 0.00 C ATOM 783 CG ASP A 164 13.550 -0.758 1.770 1.00 0.00 C ATOM 784 OD1 ASP A 164 12.980 -1.584 1.075 1.00 0.00 O ATOM 785 OD2 ASP A 164 14.339 -1.041 2.655 1.00 0.00 O ATOM 0 H ASP A 164 12.719 2.900 0.513 1.00 0.00 H new ATOM 0 HA ASP A 164 14.993 0.974 0.216 1.00 0.00 H new ATOM 0 HB2 ASP A 164 13.625 1.324 2.346 1.00 0.00 H new ATOM 0 HB3 ASP A 164 12.178 0.883 1.461 1.00 0.00 H new