USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 652 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 639 MET CE :methyl 161:sc= -2.15 (180deg=-2.86!) USER MOD Set 1.2: A 656 LYS NZ :NH3+ 173:sc= 0.699 (180deg=0.791) USER MOD Set 2.1: A 594 HIS : no HD1:sc= -0.157 X(o=-0.077,f=0.069) USER MOD Set 2.2: A 644 ASN : amide:sc= 0.0799 X(o=-0.077,f=-0.089) USER MOD Single : A 596 THR OG1 : rot 180:sc=-0.00397 USER MOD Single : A 597 GLN :FLIP amide:sc= -0.132 F(o=-1,f=-0.13) USER MOD Single : A 601 SER OG : rot 22:sc= 0.141 USER MOD Single : A 602 HIS : no HD1:sc= -0.279 X(o=-0.28,f=-0.011) USER MOD Single : A 605 HIS : no HE2:sc= 1.19 K(o=1.2,f=-3.7!) USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 609 GLN :FLIP amide:sc= -0.0676 F(o=-1.5!,f=-0.068) USER MOD Single : A 614 THR OG1 : rot 45:sc= 0.0544 USER MOD Single : A 621 LYS NZ :NH3+ -129:sc= 0.751 (180deg=0.127) USER MOD Single : A 625 MET CE :methyl -123:sc= -0.799 (180deg=-1.69) USER MOD Single : A 627 ASN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 631 TYR OH : rot 180:sc= 0 USER MOD Single : A 633 LYS NZ :NH3+ 164:sc= -0.0261 (180deg=-0.256) USER MOD Single : A 634 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 640 TYR OH : rot 180:sc= 0.192 USER MOD Single : A 642 SER OG : rot 180:sc=-0.00119 USER MOD Single : A 645 SER OG : rot 180:sc= 0 USER MOD Single : A 649 TYR OH : rot 51:sc= 0.876 USER MOD Single : A 650 TYR OH : rot 180:sc= 1.01 USER MOD Single : A 651 HIS : no HD1:sc= -0.178 X(o=-0.18,f=0) USER MOD Single : A 658 TYR OH : rot 180:sc= 0 USER MOD Single : A 659 LYS NZ :NH3+ -149:sc= -0.851 (180deg=-2.75!) USER MOD Single : A 661 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 662 LYS NZ :NH3+ 170:sc=-0.00703 (180deg=-0.151) USER MOD Single : B 847 SER OG : rot 180:sc= 0.00833 USER MOD Single : B 850 MET CE :methyl -149:sc= -0.7 (180deg=-1.37) USER MOD ----------------------------------------------------------------- ATOM 134 N HIS A 594 20.560 -0.914 -2.891 1.00 0.00 N ATOM 135 CA HIS A 594 20.101 -1.456 -4.178 1.00 0.00 C ATOM 136 C HIS A 594 18.584 -1.303 -4.356 1.00 0.00 C ATOM 137 O HIS A 594 17.965 -2.010 -5.151 1.00 0.00 O ATOM 138 CB HIS A 594 20.528 -2.929 -4.367 1.00 0.00 C ATOM 139 CG HIS A 594 19.933 -3.907 -3.393 1.00 0.00 C ATOM 140 ND1 HIS A 594 19.600 -5.195 -3.743 1.00 0.00 N ATOM 141 CD2 HIS A 594 19.649 -3.799 -2.074 1.00 0.00 C ATOM 142 CE1 HIS A 594 19.141 -5.833 -2.688 1.00 0.00 C ATOM 143 NE2 HIS A 594 19.160 -5.011 -1.655 1.00 0.00 N ATOM 0 HA HIS A 594 20.588 -0.865 -4.954 1.00 0.00 H new ATOM 0 HB2 HIS A 594 20.259 -3.240 -5.377 1.00 0.00 H new ATOM 0 HB3 HIS A 594 21.614 -2.986 -4.294 1.00 0.00 H new ATOM 0 HD2 HIS A 594 19.783 -2.919 -1.462 1.00 0.00 H new ATOM 0 HE1 HIS A 594 18.804 -6.859 -2.670 1.00 0.00 H new ATOM 0 HE2 HIS A 594 18.862 -5.238 -0.706 1.00 0.00 H new ATOM 152 N VAL A 595 18.001 -0.383 -3.599 1.00 0.00 N ATOM 153 CA VAL A 595 16.636 0.063 -3.804 1.00 0.00 C ATOM 154 C VAL A 595 16.642 1.580 -3.726 1.00 0.00 C ATOM 155 O VAL A 595 17.195 2.145 -2.779 1.00 0.00 O ATOM 156 CB VAL A 595 15.659 -0.465 -2.724 1.00 0.00 C ATOM 157 CG1 VAL A 595 14.214 -0.238 -3.151 1.00 0.00 C ATOM 158 CG2 VAL A 595 15.905 -1.936 -2.419 1.00 0.00 C ATOM 0 H VAL A 595 18.470 0.077 -2.819 1.00 0.00 H new ATOM 0 HA VAL A 595 16.296 -0.316 -4.768 1.00 0.00 H new ATOM 0 HB VAL A 595 15.843 0.097 -1.808 1.00 0.00 H new ATOM 0 HG11 VAL A 595 13.543 -0.616 -2.379 1.00 0.00 H new ATOM 0 HG12 VAL A 595 14.040 0.829 -3.293 1.00 0.00 H new ATOM 0 HG13 VAL A 595 14.024 -0.764 -4.086 1.00 0.00 H new ATOM 0 HG21 VAL A 595 15.202 -2.272 -1.657 1.00 0.00 H new ATOM 0 HG22 VAL A 595 15.766 -2.524 -3.326 1.00 0.00 H new ATOM 0 HG23 VAL A 595 16.924 -2.067 -2.055 1.00 0.00 H new ATOM 168 N THR A 596 16.033 2.246 -4.686 1.00 0.00 N ATOM 169 CA THR A 596 16.018 3.694 -4.678 1.00 0.00 C ATOM 170 C THR A 596 14.818 4.204 -3.891 1.00 0.00 C ATOM 171 O THR A 596 13.818 3.492 -3.753 1.00 0.00 O ATOM 172 CB THR A 596 16.036 4.268 -6.115 1.00 0.00 C ATOM 173 OG1 THR A 596 15.943 5.697 -6.092 1.00 0.00 O ATOM 174 CG2 THR A 596 14.908 3.697 -6.957 1.00 0.00 C ATOM 0 H THR A 596 15.548 1.814 -5.472 1.00 0.00 H new ATOM 0 HA THR A 596 16.925 4.042 -4.184 1.00 0.00 H new ATOM 0 HB THR A 596 16.984 3.977 -6.567 1.00 0.00 H new ATOM 0 HG1 THR A 596 15.958 6.041 -7.010 1.00 0.00 H new ATOM 0 HG21 THR A 596 14.951 4.122 -7.960 1.00 0.00 H new ATOM 0 HG22 THR A 596 15.012 2.614 -7.017 1.00 0.00 H new ATOM 0 HG23 THR A 596 13.951 3.945 -6.499 1.00 0.00 H new ATOM 182 N GLN A 597 14.918 5.412 -3.358 1.00 0.00 N ATOM 183 CA GLN A 597 13.847 5.972 -2.546 1.00 0.00 C ATOM 184 C GLN A 597 12.596 6.164 -3.396 1.00 0.00 C ATOM 185 O GLN A 597 11.480 5.894 -2.951 1.00 0.00 O ATOM 186 CB GLN A 597 14.277 7.302 -1.927 1.00 0.00 C ATOM 187 CG GLN A 597 13.289 7.844 -0.906 1.00 0.00 C ATOM 188 CD GLN A 597 13.145 6.946 0.312 1.00 0.00 C ATOM 189 OE1 GLN A 597 14.221 6.275 0.697 1.00 0.00 O flip ATOM 190 NE2 GLN A 597 12.071 6.867 0.913 1.00 0.00 N flip ATOM 0 H GLN A 597 15.727 6.022 -3.472 1.00 0.00 H new ATOM 0 HA GLN A 597 13.624 5.276 -1.737 1.00 0.00 H new ATOM 0 HB2 GLN A 597 15.248 7.174 -1.449 1.00 0.00 H new ATOM 0 HB3 GLN A 597 14.407 8.038 -2.721 1.00 0.00 H new ATOM 0 HG2 GLN A 597 13.612 8.834 -0.585 1.00 0.00 H new ATOM 0 HG3 GLN A 597 12.315 7.965 -1.379 1.00 0.00 H new ATOM 0 HE21 GLN A 597 11.264 7.399 0.587 1.00 0.00 H new ATOM 0 HE22 GLN A 597 11.990 6.270 1.736 1.00 0.00 H new ATOM 199 N ASP A 598 12.811 6.614 -4.630 1.00 0.00 N ATOM 200 CA ASP A 598 11.723 6.836 -5.581 1.00 0.00 C ATOM 201 C ASP A 598 10.901 5.567 -5.772 1.00 0.00 C ATOM 202 O ASP A 598 9.676 5.622 -5.848 1.00 0.00 O ATOM 203 CB ASP A 598 12.271 7.305 -6.930 1.00 0.00 C ATOM 204 CG ASP A 598 11.179 7.528 -7.955 1.00 0.00 C ATOM 205 OD1 ASP A 598 10.444 8.533 -7.842 1.00 0.00 O ATOM 206 OD2 ASP A 598 11.050 6.699 -8.881 1.00 0.00 O ATOM 0 H ASP A 598 13.737 6.834 -4.998 1.00 0.00 H new ATOM 0 HA ASP A 598 11.077 7.613 -5.172 1.00 0.00 H new ATOM 0 HB2 ASP A 598 12.828 8.232 -6.790 1.00 0.00 H new ATOM 0 HB3 ASP A 598 12.975 6.565 -7.310 1.00 0.00 H new ATOM 211 N LEU A 599 11.588 4.427 -5.843 1.00 0.00 N ATOM 212 CA LEU A 599 10.931 3.135 -5.979 1.00 0.00 C ATOM 213 C LEU A 599 9.942 2.925 -4.844 1.00 0.00 C ATOM 214 O LEU A 599 8.783 2.580 -5.064 1.00 0.00 O ATOM 215 CB LEU A 599 11.967 1.996 -5.968 1.00 0.00 C ATOM 216 CG LEU A 599 11.453 0.664 -6.510 1.00 0.00 C ATOM 217 CD1 LEU A 599 11.074 0.813 -7.968 1.00 0.00 C ATOM 218 CD2 LEU A 599 12.495 -0.426 -6.338 1.00 0.00 C ATOM 0 H LEU A 599 12.606 4.377 -5.808 1.00 0.00 H new ATOM 0 HA LEU A 599 10.399 3.124 -6.930 1.00 0.00 H new ATOM 0 HB2 LEU A 599 12.832 2.303 -6.556 1.00 0.00 H new ATOM 0 HB3 LEU A 599 12.314 1.848 -4.945 1.00 0.00 H new ATOM 0 HG LEU A 599 10.568 0.375 -5.943 1.00 0.00 H new ATOM 0 HD11 LEU A 599 10.708 -0.141 -8.348 1.00 0.00 H new ATOM 0 HD12 LEU A 599 10.292 1.566 -8.066 1.00 0.00 H new ATOM 0 HD13 LEU A 599 11.948 1.121 -8.542 1.00 0.00 H new ATOM 0 HD21 LEU A 599 12.107 -1.366 -6.731 1.00 0.00 H new ATOM 0 HD22 LEU A 599 13.400 -0.152 -6.880 1.00 0.00 H new ATOM 0 HD23 LEU A 599 12.727 -0.544 -5.280 1.00 0.00 H new ATOM 230 N ARG A 600 10.414 3.186 -3.636 1.00 0.00 N ATOM 231 CA ARG A 600 9.647 2.931 -2.424 1.00 0.00 C ATOM 232 C ARG A 600 8.401 3.811 -2.380 1.00 0.00 C ATOM 233 O ARG A 600 7.291 3.325 -2.168 1.00 0.00 O ATOM 234 CB ARG A 600 10.523 3.190 -1.193 1.00 0.00 C ATOM 235 CG ARG A 600 11.838 2.422 -1.208 1.00 0.00 C ATOM 236 CD ARG A 600 12.759 2.867 -0.088 1.00 0.00 C ATOM 237 NE ARG A 600 14.156 2.535 -0.370 1.00 0.00 N ATOM 238 CZ ARG A 600 15.125 2.555 0.543 1.00 0.00 C ATOM 239 NH1 ARG A 600 14.839 2.857 1.804 1.00 0.00 N ATOM 240 NH2 ARG A 600 16.378 2.269 0.197 1.00 0.00 N ATOM 0 H ARG A 600 11.339 3.581 -3.466 1.00 0.00 H new ATOM 0 HA ARG A 600 9.328 1.889 -2.424 1.00 0.00 H new ATOM 0 HB2 ARG A 600 10.736 4.257 -1.127 1.00 0.00 H new ATOM 0 HB3 ARG A 600 9.964 2.920 -0.297 1.00 0.00 H new ATOM 0 HG2 ARG A 600 11.638 1.355 -1.112 1.00 0.00 H new ATOM 0 HG3 ARG A 600 12.334 2.568 -2.167 1.00 0.00 H new ATOM 0 HD2 ARG A 600 12.663 3.943 0.056 1.00 0.00 H new ATOM 0 HD3 ARG A 600 12.453 2.392 0.844 1.00 0.00 H new ATOM 0 HE ARG A 600 14.403 2.272 -1.324 1.00 0.00 H new ATOM 0 HH11 ARG A 600 13.879 3.073 2.071 1.00 0.00 H new ATOM 0 HH12 ARG A 600 15.580 2.873 2.505 1.00 0.00 H new ATOM 0 HH21 ARG A 600 16.599 2.033 -0.771 1.00 0.00 H new ATOM 0 HH22 ARG A 600 17.117 2.285 0.899 1.00 0.00 H new ATOM 254 N SER A 601 8.588 5.106 -2.605 1.00 0.00 N ATOM 255 CA SER A 601 7.483 6.052 -2.580 1.00 0.00 C ATOM 256 C SER A 601 6.504 5.784 -3.726 1.00 0.00 C ATOM 257 O SER A 601 5.284 5.883 -3.549 1.00 0.00 O ATOM 258 CB SER A 601 8.012 7.491 -2.616 1.00 0.00 C ATOM 259 OG SER A 601 9.026 7.649 -3.595 1.00 0.00 O ATOM 0 H SER A 601 9.496 5.524 -2.807 1.00 0.00 H new ATOM 0 HA SER A 601 6.934 5.919 -1.648 1.00 0.00 H new ATOM 0 HB2 SER A 601 7.191 8.176 -2.828 1.00 0.00 H new ATOM 0 HB3 SER A 601 8.406 7.759 -1.636 1.00 0.00 H new ATOM 0 HG SER A 601 8.948 6.938 -4.265 1.00 0.00 H new ATOM 265 N HIS A 602 7.039 5.445 -4.900 1.00 0.00 N ATOM 266 CA HIS A 602 6.210 5.161 -6.071 1.00 0.00 C ATOM 267 C HIS A 602 5.258 4.004 -5.772 1.00 0.00 C ATOM 268 O HIS A 602 4.063 4.073 -6.064 1.00 0.00 O ATOM 269 CB HIS A 602 7.080 4.813 -7.288 1.00 0.00 C ATOM 270 CG HIS A 602 6.379 4.973 -8.607 1.00 0.00 C ATOM 271 ND1 HIS A 602 6.884 5.738 -9.634 1.00 0.00 N ATOM 272 CD2 HIS A 602 5.219 4.448 -9.073 1.00 0.00 C ATOM 273 CE1 HIS A 602 6.070 5.679 -10.670 1.00 0.00 C ATOM 274 NE2 HIS A 602 5.050 4.904 -10.358 1.00 0.00 N ATOM 0 H HIS A 602 8.042 5.361 -5.065 1.00 0.00 H new ATOM 0 HA HIS A 602 5.632 6.056 -6.302 1.00 0.00 H new ATOM 0 HB2 HIS A 602 7.967 5.447 -7.281 1.00 0.00 H new ATOM 0 HB3 HIS A 602 7.423 3.783 -7.193 1.00 0.00 H new ATOM 0 HD2 HIS A 602 4.551 3.792 -8.534 1.00 0.00 H new ATOM 0 HE1 HIS A 602 6.215 6.181 -11.615 1.00 0.00 H new ATOM 0 HE2 HIS A 602 4.265 4.680 -10.970 1.00 0.00 H new ATOM 283 N LEU A 603 5.803 2.954 -5.173 1.00 0.00 N ATOM 284 CA LEU A 603 5.033 1.766 -4.825 1.00 0.00 C ATOM 285 C LEU A 603 3.953 2.077 -3.796 1.00 0.00 C ATOM 286 O LEU A 603 2.847 1.539 -3.872 1.00 0.00 O ATOM 287 CB LEU A 603 5.960 0.662 -4.324 1.00 0.00 C ATOM 288 CG LEU A 603 6.971 0.170 -5.366 1.00 0.00 C ATOM 289 CD1 LEU A 603 8.048 -0.683 -4.724 1.00 0.00 C ATOM 290 CD2 LEU A 603 6.262 -0.607 -6.463 1.00 0.00 C ATOM 0 H LEU A 603 6.788 2.901 -4.915 1.00 0.00 H new ATOM 0 HA LEU A 603 4.530 1.417 -5.727 1.00 0.00 H new ATOM 0 HB2 LEU A 603 6.502 1.026 -3.452 1.00 0.00 H new ATOM 0 HB3 LEU A 603 5.355 -0.183 -3.994 1.00 0.00 H new ATOM 0 HG LEU A 603 7.453 1.042 -5.808 1.00 0.00 H new ATOM 0 HD11 LEU A 603 8.750 -1.017 -5.487 1.00 0.00 H new ATOM 0 HD12 LEU A 603 8.579 -0.096 -3.975 1.00 0.00 H new ATOM 0 HD13 LEU A 603 7.590 -1.550 -4.248 1.00 0.00 H new ATOM 0 HD21 LEU A 603 6.992 -0.950 -7.196 1.00 0.00 H new ATOM 0 HD22 LEU A 603 5.752 -1.467 -6.029 1.00 0.00 H new ATOM 0 HD23 LEU A 603 5.532 0.038 -6.952 1.00 0.00 H new ATOM 302 N VAL A 604 4.267 2.947 -2.843 1.00 0.00 N ATOM 303 CA VAL A 604 3.305 3.337 -1.816 1.00 0.00 C ATOM 304 C VAL A 604 2.060 3.951 -2.454 1.00 0.00 C ATOM 305 O VAL A 604 0.932 3.650 -2.058 1.00 0.00 O ATOM 306 CB VAL A 604 3.920 4.343 -0.814 1.00 0.00 C ATOM 307 CG1 VAL A 604 2.844 4.981 0.053 1.00 0.00 C ATOM 308 CG2 VAL A 604 4.956 3.659 0.064 1.00 0.00 C ATOM 0 H VAL A 604 5.179 3.396 -2.759 1.00 0.00 H new ATOM 0 HA VAL A 604 3.027 2.434 -1.272 1.00 0.00 H new ATOM 0 HB VAL A 604 4.408 5.129 -1.390 1.00 0.00 H new ATOM 0 HG11 VAL A 604 3.305 5.683 0.747 1.00 0.00 H new ATOM 0 HG12 VAL A 604 2.133 5.511 -0.581 1.00 0.00 H new ATOM 0 HG13 VAL A 604 2.322 4.206 0.614 1.00 0.00 H new ATOM 0 HG21 VAL A 604 5.377 4.383 0.762 1.00 0.00 H new ATOM 0 HG22 VAL A 604 4.484 2.850 0.621 1.00 0.00 H new ATOM 0 HG23 VAL A 604 5.751 3.253 -0.561 1.00 0.00 H new ATOM 318 N HIS A 605 2.272 4.794 -3.461 1.00 0.00 N ATOM 319 CA HIS A 605 1.162 5.440 -4.164 1.00 0.00 C ATOM 320 C HIS A 605 0.302 4.404 -4.873 1.00 0.00 C ATOM 321 O HIS A 605 -0.918 4.526 -4.899 1.00 0.00 O ATOM 322 CB HIS A 605 1.652 6.492 -5.168 1.00 0.00 C ATOM 323 CG HIS A 605 2.196 7.735 -4.529 1.00 0.00 C ATOM 324 ND1 HIS A 605 3.505 7.869 -4.114 1.00 0.00 N ATOM 325 CD2 HIS A 605 1.592 8.911 -4.239 1.00 0.00 C ATOM 326 CE1 HIS A 605 3.678 9.071 -3.598 1.00 0.00 C ATOM 327 NE2 HIS A 605 2.535 9.722 -3.661 1.00 0.00 N ATOM 0 H HIS A 605 3.197 5.046 -3.809 1.00 0.00 H new ATOM 0 HA HIS A 605 0.561 5.952 -3.413 1.00 0.00 H new ATOM 0 HB2 HIS A 605 2.426 6.049 -5.795 1.00 0.00 H new ATOM 0 HB3 HIS A 605 0.827 6.765 -5.826 1.00 0.00 H new ATOM 0 HD1 HIS A 605 4.226 7.152 -4.194 1.00 0.00 H new ATOM 0 HD2 HIS A 605 0.559 9.164 -4.428 1.00 0.00 H new ATOM 0 HE1 HIS A 605 4.602 9.456 -3.192 1.00 0.00 H new ATOM 336 N LYS A 606 0.942 3.389 -5.450 1.00 0.00 N ATOM 337 CA LYS A 606 0.217 2.319 -6.132 1.00 0.00 C ATOM 338 C LYS A 606 -0.721 1.602 -5.171 1.00 0.00 C ATOM 339 O LYS A 606 -1.851 1.270 -5.525 1.00 0.00 O ATOM 340 CB LYS A 606 1.181 1.308 -6.753 1.00 0.00 C ATOM 341 CG LYS A 606 1.940 1.839 -7.955 1.00 0.00 C ATOM 342 CD LYS A 606 2.763 0.744 -8.614 1.00 0.00 C ATOM 343 CE LYS A 606 3.394 1.227 -9.906 1.00 0.00 C ATOM 344 NZ LYS A 606 4.148 0.149 -10.598 1.00 0.00 N ATOM 0 H LYS A 606 1.957 3.285 -5.459 1.00 0.00 H new ATOM 0 HA LYS A 606 -0.370 2.779 -6.927 1.00 0.00 H new ATOM 0 HB2 LYS A 606 1.897 0.991 -5.995 1.00 0.00 H new ATOM 0 HB3 LYS A 606 0.620 0.423 -7.052 1.00 0.00 H new ATOM 0 HG2 LYS A 606 1.237 2.254 -8.678 1.00 0.00 H new ATOM 0 HG3 LYS A 606 2.595 2.653 -7.644 1.00 0.00 H new ATOM 0 HD2 LYS A 606 3.543 0.411 -7.929 1.00 0.00 H new ATOM 0 HD3 LYS A 606 2.128 -0.118 -8.818 1.00 0.00 H new ATOM 0 HE2 LYS A 606 2.616 1.607 -10.568 1.00 0.00 H new ATOM 0 HE3 LYS A 606 4.066 2.059 -9.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 4.562 0.523 -11.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 4.907 -0.197 -9.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 3.503 -0.634 -10.826 1.00 0.00 H new ATOM 358 N LEU A 607 -0.245 1.367 -3.956 1.00 0.00 N ATOM 359 CA LEU A 607 -1.047 0.712 -2.932 1.00 0.00 C ATOM 360 C LEU A 607 -2.247 1.585 -2.562 1.00 0.00 C ATOM 361 O LEU A 607 -3.369 1.092 -2.439 1.00 0.00 O ATOM 362 CB LEU A 607 -0.177 0.404 -1.708 1.00 0.00 C ATOM 363 CG LEU A 607 -0.800 -0.535 -0.670 1.00 0.00 C ATOM 364 CD1 LEU A 607 0.287 -1.302 0.060 1.00 0.00 C ATOM 365 CD2 LEU A 607 -1.642 0.246 0.326 1.00 0.00 C ATOM 0 H LEU A 607 0.696 1.621 -3.655 1.00 0.00 H new ATOM 0 HA LEU A 607 -1.431 -0.231 -3.320 1.00 0.00 H new ATOM 0 HB2 LEU A 607 0.760 -0.035 -2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 607 0.073 1.344 -1.217 1.00 0.00 H new ATOM 0 HG LEU A 607 -1.447 -1.241 -1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 607 -0.167 -1.966 0.795 1.00 0.00 H new ATOM 0 HD12 LEU A 607 0.860 -1.891 -0.656 1.00 0.00 H new ATOM 0 HD13 LEU A 607 0.950 -0.600 0.566 1.00 0.00 H new ATOM 0 HD21 LEU A 607 -2.075 -0.440 1.054 1.00 0.00 H new ATOM 0 HD22 LEU A 607 -1.015 0.973 0.841 1.00 0.00 H new ATOM 0 HD23 LEU A 607 -2.441 0.766 -0.202 1.00 0.00 H new ATOM 377 N VAL A 608 -2.006 2.882 -2.401 1.00 0.00 N ATOM 378 CA VAL A 608 -3.081 3.839 -2.152 1.00 0.00 C ATOM 379 C VAL A 608 -4.061 3.865 -3.326 1.00 0.00 C ATOM 380 O VAL A 608 -5.276 3.868 -3.139 1.00 0.00 O ATOM 381 CB VAL A 608 -2.516 5.260 -1.935 1.00 0.00 C ATOM 382 CG1 VAL A 608 -3.633 6.268 -1.725 1.00 0.00 C ATOM 383 CG2 VAL A 608 -1.551 5.279 -0.761 1.00 0.00 C ATOM 0 H VAL A 608 -1.075 3.296 -2.438 1.00 0.00 H new ATOM 0 HA VAL A 608 -3.603 3.520 -1.250 1.00 0.00 H new ATOM 0 HB VAL A 608 -1.971 5.545 -2.835 1.00 0.00 H new ATOM 0 HG11 VAL A 608 -3.205 7.259 -1.575 1.00 0.00 H new ATOM 0 HG12 VAL A 608 -4.281 6.281 -2.602 1.00 0.00 H new ATOM 0 HG13 VAL A 608 -4.216 5.988 -0.848 1.00 0.00 H new ATOM 0 HG21 VAL A 608 -1.164 6.289 -0.624 1.00 0.00 H new ATOM 0 HG22 VAL A 608 -2.072 4.965 0.143 1.00 0.00 H new ATOM 0 HG23 VAL A 608 -0.724 4.597 -0.959 1.00 0.00 H new ATOM 393 N GLN A 609 -3.509 3.876 -4.532 1.00 0.00 N ATOM 394 CA GLN A 609 -4.292 3.878 -5.764 1.00 0.00 C ATOM 395 C GLN A 609 -5.166 2.629 -5.856 1.00 0.00 C ATOM 396 O GLN A 609 -6.303 2.686 -6.325 1.00 0.00 O ATOM 397 CB GLN A 609 -3.352 3.976 -6.965 1.00 0.00 C ATOM 398 CG GLN A 609 -4.056 4.072 -8.309 1.00 0.00 C ATOM 399 CD GLN A 609 -3.105 4.434 -9.434 1.00 0.00 C ATOM 400 OE1 GLN A 609 -2.091 5.233 -9.125 1.00 0.00 O flip ATOM 401 NE2 GLN A 609 -3.282 4.012 -10.577 1.00 0.00 N flip ATOM 0 H GLN A 609 -2.501 3.884 -4.686 1.00 0.00 H new ATOM 0 HA GLN A 609 -4.955 4.743 -5.762 1.00 0.00 H new ATOM 0 HB2 GLN A 609 -2.713 4.850 -6.840 1.00 0.00 H new ATOM 0 HB3 GLN A 609 -2.700 3.103 -6.972 1.00 0.00 H new ATOM 0 HG2 GLN A 609 -4.535 3.119 -8.534 1.00 0.00 H new ATOM 0 HG3 GLN A 609 -4.846 4.820 -8.250 1.00 0.00 H new ATOM 0 HE21 GLN A 609 -4.073 3.399 -10.778 1.00 0.00 H new ATOM 0 HE22 GLN A 609 -2.638 4.275 -11.323 1.00 0.00 H new ATOM 410 N ALA A 610 -4.620 1.502 -5.422 1.00 0.00 N ATOM 411 CA ALA A 610 -5.368 0.253 -5.366 1.00 0.00 C ATOM 412 C ALA A 610 -6.592 0.399 -4.469 1.00 0.00 C ATOM 413 O ALA A 610 -7.667 -0.115 -4.778 1.00 0.00 O ATOM 414 CB ALA A 610 -4.480 -0.876 -4.869 1.00 0.00 C ATOM 0 H ALA A 610 -3.655 1.427 -5.101 1.00 0.00 H new ATOM 0 HA ALA A 610 -5.707 0.011 -6.374 1.00 0.00 H new ATOM 0 HB1 ALA A 610 -5.054 -1.802 -4.833 1.00 0.00 H new ATOM 0 HB2 ALA A 610 -3.635 -0.999 -5.546 1.00 0.00 H new ATOM 0 HB3 ALA A 610 -4.113 -0.638 -3.871 1.00 0.00 H new ATOM 420 N ILE A 611 -6.422 1.106 -3.358 1.00 0.00 N ATOM 421 CA ILE A 611 -7.512 1.319 -2.414 1.00 0.00 C ATOM 422 C ILE A 611 -8.476 2.393 -2.933 1.00 0.00 C ATOM 423 O ILE A 611 -9.682 2.323 -2.691 1.00 0.00 O ATOM 424 CB ILE A 611 -6.976 1.728 -0.989 1.00 0.00 C ATOM 425 CG1 ILE A 611 -6.298 0.546 -0.249 1.00 0.00 C ATOM 426 CG2 ILE A 611 -8.083 2.325 -0.121 1.00 0.00 C ATOM 427 CD1 ILE A 611 -5.238 0.991 0.739 1.00 0.00 C ATOM 0 H ILE A 611 -5.540 1.541 -3.089 1.00 0.00 H new ATOM 0 HA ILE A 611 -8.046 0.373 -2.319 1.00 0.00 H new ATOM 0 HB ILE A 611 -6.217 2.492 -1.160 1.00 0.00 H new ATOM 0 HG12 ILE A 611 -7.059 -0.029 0.279 1.00 0.00 H new ATOM 0 HG13 ILE A 611 -5.845 -0.122 -0.982 1.00 0.00 H new ATOM 0 HG21 ILE A 611 -7.676 2.595 0.853 1.00 0.00 H new ATOM 0 HG22 ILE A 611 -8.485 3.215 -0.605 1.00 0.00 H new ATOM 0 HG23 ILE A 611 -8.879 1.592 0.009 1.00 0.00 H new ATOM 0 HD11 ILE A 611 -4.802 0.117 1.223 1.00 0.00 H new ATOM 0 HD12 ILE A 611 -4.458 1.541 0.213 1.00 0.00 H new ATOM 0 HD13 ILE A 611 -5.691 1.635 1.493 1.00 0.00 H new ATOM 439 N PHE A 612 -7.955 3.359 -3.677 1.00 0.00 N ATOM 440 CA PHE A 612 -8.763 4.483 -4.119 1.00 0.00 C ATOM 441 C PHE A 612 -8.247 5.014 -5.455 1.00 0.00 C ATOM 442 O PHE A 612 -7.265 5.759 -5.492 1.00 0.00 O ATOM 443 CB PHE A 612 -8.722 5.593 -3.069 1.00 0.00 C ATOM 444 CG PHE A 612 -9.993 6.393 -2.992 1.00 0.00 C ATOM 445 CD1 PHE A 612 -11.214 5.760 -2.833 1.00 0.00 C ATOM 446 CD2 PHE A 612 -9.966 7.772 -3.077 1.00 0.00 C ATOM 447 CE1 PHE A 612 -12.385 6.488 -2.757 1.00 0.00 C ATOM 448 CE2 PHE A 612 -11.134 8.508 -2.999 1.00 0.00 C ATOM 449 CZ PHE A 612 -12.346 7.863 -2.840 1.00 0.00 C ATOM 0 H PHE A 612 -6.983 3.386 -3.985 1.00 0.00 H new ATOM 0 HA PHE A 612 -9.792 4.147 -4.249 1.00 0.00 H new ATOM 0 HB2 PHE A 612 -8.520 5.152 -2.093 1.00 0.00 H new ATOM 0 HB3 PHE A 612 -7.893 6.264 -3.293 1.00 0.00 H new ATOM 0 HD1 PHE A 612 -11.251 4.683 -2.768 1.00 0.00 H new ATOM 0 HD2 PHE A 612 -9.022 8.281 -3.206 1.00 0.00 H new ATOM 0 HE1 PHE A 612 -13.330 5.980 -2.633 1.00 0.00 H new ATOM 0 HE2 PHE A 612 -11.099 9.586 -3.062 1.00 0.00 H new ATOM 0 HZ PHE A 612 -13.260 8.435 -2.781 1.00 0.00 H new ATOM 459 N PRO A 613 -8.891 4.639 -6.571 1.00 0.00 N ATOM 460 CA PRO A 613 -8.409 5.007 -7.909 1.00 0.00 C ATOM 461 C PRO A 613 -8.770 6.442 -8.310 1.00 0.00 C ATOM 462 O PRO A 613 -8.003 7.102 -9.013 1.00 0.00 O ATOM 463 CB PRO A 613 -9.108 3.991 -8.823 1.00 0.00 C ATOM 464 CG PRO A 613 -10.363 3.605 -8.099 1.00 0.00 C ATOM 465 CD PRO A 613 -10.122 3.813 -6.619 1.00 0.00 C ATOM 0 HA PRO A 613 -7.321 4.982 -7.966 1.00 0.00 H new ATOM 0 HB2 PRO A 613 -9.334 4.427 -9.796 1.00 0.00 H new ATOM 0 HB3 PRO A 613 -8.474 3.122 -9.002 1.00 0.00 H new ATOM 0 HG2 PRO A 613 -11.203 4.211 -8.439 1.00 0.00 H new ATOM 0 HG3 PRO A 613 -10.618 2.565 -8.303 1.00 0.00 H new ATOM 0 HD2 PRO A 613 -10.962 4.320 -6.145 1.00 0.00 H new ATOM 0 HD3 PRO A 613 -9.987 2.865 -6.099 1.00 0.00 H new ATOM 473 N THR A 614 -9.938 6.917 -7.888 1.00 0.00 N ATOM 474 CA THR A 614 -10.391 8.261 -8.241 1.00 0.00 C ATOM 475 C THR A 614 -9.765 9.338 -7.349 1.00 0.00 C ATOM 476 O THR A 614 -10.052 9.412 -6.154 1.00 0.00 O ATOM 477 CB THR A 614 -11.929 8.356 -8.173 1.00 0.00 C ATOM 478 OG1 THR A 614 -12.408 7.692 -6.994 1.00 0.00 O ATOM 479 CG2 THR A 614 -12.562 7.727 -9.405 1.00 0.00 C ATOM 0 H THR A 614 -10.588 6.393 -7.302 1.00 0.00 H new ATOM 0 HA THR A 614 -10.063 8.444 -9.264 1.00 0.00 H new ATOM 0 HB THR A 614 -12.207 9.409 -8.136 1.00 0.00 H new ATOM 0 HG1 THR A 614 -11.851 7.943 -6.228 1.00 0.00 H new ATOM 0 HG21 THR A 614 -13.647 7.805 -9.337 1.00 0.00 H new ATOM 0 HG22 THR A 614 -12.216 8.248 -10.298 1.00 0.00 H new ATOM 0 HG23 THR A 614 -12.277 6.677 -9.465 1.00 0.00 H new ATOM 487 N PRO A 615 -8.891 10.190 -7.920 1.00 0.00 N ATOM 488 CA PRO A 615 -8.263 11.295 -7.196 1.00 0.00 C ATOM 489 C PRO A 615 -9.173 12.519 -7.130 1.00 0.00 C ATOM 490 O PRO A 615 -8.994 13.487 -7.877 1.00 0.00 O ATOM 491 CB PRO A 615 -7.005 11.614 -8.029 1.00 0.00 C ATOM 492 CG PRO A 615 -6.996 10.612 -9.155 1.00 0.00 C ATOM 493 CD PRO A 615 -8.422 10.157 -9.309 1.00 0.00 C ATOM 0 HA PRO A 615 -8.044 11.031 -6.161 1.00 0.00 H new ATOM 0 HB2 PRO A 615 -7.038 12.634 -8.413 1.00 0.00 H new ATOM 0 HB3 PRO A 615 -6.103 11.530 -7.423 1.00 0.00 H new ATOM 0 HG2 PRO A 615 -6.627 11.062 -10.077 1.00 0.00 H new ATOM 0 HG3 PRO A 615 -6.340 9.772 -8.926 1.00 0.00 H new ATOM 0 HD2 PRO A 615 -8.998 10.822 -9.952 1.00 0.00 H new ATOM 0 HD3 PRO A 615 -8.490 9.159 -9.741 1.00 0.00 H new ATOM 501 N ASP A 616 -10.160 12.466 -6.252 1.00 0.00 N ATOM 502 CA ASP A 616 -11.063 13.597 -6.048 1.00 0.00 C ATOM 503 C ASP A 616 -10.348 14.696 -5.273 1.00 0.00 C ATOM 504 O ASP A 616 -9.793 14.445 -4.207 1.00 0.00 O ATOM 505 CB ASP A 616 -12.327 13.170 -5.284 1.00 0.00 C ATOM 506 CG ASP A 616 -13.250 14.343 -5.030 1.00 0.00 C ATOM 507 OD1 ASP A 616 -13.931 14.784 -5.978 1.00 0.00 O ATOM 508 OD2 ASP A 616 -13.285 14.840 -3.886 1.00 0.00 O ATOM 0 H ASP A 616 -10.360 11.655 -5.667 1.00 0.00 H new ATOM 0 HA ASP A 616 -11.363 13.970 -7.027 1.00 0.00 H new ATOM 0 HB2 ASP A 616 -12.857 12.407 -5.854 1.00 0.00 H new ATOM 0 HB3 ASP A 616 -12.043 12.718 -4.334 1.00 0.00 H new ATOM 513 N PRO A 617 -10.348 15.931 -5.813 1.00 0.00 N ATOM 514 CA PRO A 617 -9.622 17.065 -5.225 1.00 0.00 C ATOM 515 C PRO A 617 -10.018 17.365 -3.779 1.00 0.00 C ATOM 516 O PRO A 617 -9.213 17.898 -3.015 1.00 0.00 O ATOM 517 CB PRO A 617 -9.991 18.255 -6.128 1.00 0.00 C ATOM 518 CG PRO A 617 -11.181 17.808 -6.903 1.00 0.00 C ATOM 519 CD PRO A 617 -11.035 16.321 -7.058 1.00 0.00 C ATOM 0 HA PRO A 617 -8.554 16.852 -5.181 1.00 0.00 H new ATOM 0 HB2 PRO A 617 -10.218 19.142 -5.536 1.00 0.00 H new ATOM 0 HB3 PRO A 617 -9.166 18.516 -6.791 1.00 0.00 H new ATOM 0 HG2 PRO A 617 -12.104 18.058 -6.380 1.00 0.00 H new ATOM 0 HG3 PRO A 617 -11.222 18.300 -7.875 1.00 0.00 H new ATOM 0 HD2 PRO A 617 -12.002 15.828 -7.159 1.00 0.00 H new ATOM 0 HD3 PRO A 617 -10.451 16.061 -7.941 1.00 0.00 H new ATOM 527 N ALA A 618 -11.247 17.031 -3.398 1.00 0.00 N ATOM 528 CA ALA A 618 -11.706 17.282 -2.041 1.00 0.00 C ATOM 529 C ALA A 618 -11.325 16.121 -1.134 1.00 0.00 C ATOM 530 O ALA A 618 -10.750 16.323 -0.063 1.00 0.00 O ATOM 531 CB ALA A 618 -13.209 17.509 -2.020 1.00 0.00 C ATOM 0 H ALA A 618 -11.937 16.589 -4.006 1.00 0.00 H new ATOM 0 HA ALA A 618 -11.221 18.185 -1.670 1.00 0.00 H new ATOM 0 HB1 ALA A 618 -13.535 17.695 -0.997 1.00 0.00 H new ATOM 0 HB2 ALA A 618 -13.456 18.370 -2.642 1.00 0.00 H new ATOM 0 HB3 ALA A 618 -13.716 16.625 -2.407 1.00 0.00 H new ATOM 537 N ALA A 619 -11.647 14.909 -1.576 1.00 0.00 N ATOM 538 CA ALA A 619 -11.259 13.687 -0.869 1.00 0.00 C ATOM 539 C ALA A 619 -9.745 13.608 -0.682 1.00 0.00 C ATOM 540 O ALA A 619 -9.256 12.995 0.266 1.00 0.00 O ATOM 541 CB ALA A 619 -11.762 12.463 -1.623 1.00 0.00 C ATOM 0 H ALA A 619 -12.181 14.744 -2.429 1.00 0.00 H new ATOM 0 HA ALA A 619 -11.717 13.711 0.120 1.00 0.00 H new ATOM 0 HB1 ALA A 619 -11.468 11.560 -1.088 1.00 0.00 H new ATOM 0 HB2 ALA A 619 -12.849 12.503 -1.698 1.00 0.00 H new ATOM 0 HB3 ALA A 619 -11.330 12.449 -2.624 1.00 0.00 H new ATOM 547 N LEU A 620 -9.012 14.236 -1.592 1.00 0.00 N ATOM 548 CA LEU A 620 -7.554 14.273 -1.525 1.00 0.00 C ATOM 549 C LEU A 620 -7.113 14.999 -0.252 1.00 0.00 C ATOM 550 O LEU A 620 -6.068 14.697 0.324 1.00 0.00 O ATOM 551 CB LEU A 620 -6.987 14.989 -2.763 1.00 0.00 C ATOM 552 CG LEU A 620 -5.741 14.358 -3.410 1.00 0.00 C ATOM 553 CD1 LEU A 620 -4.577 14.287 -2.432 1.00 0.00 C ATOM 554 CD2 LEU A 620 -6.062 12.974 -3.956 1.00 0.00 C ATOM 0 H LEU A 620 -9.406 14.731 -2.392 1.00 0.00 H new ATOM 0 HA LEU A 620 -7.172 13.252 -1.504 1.00 0.00 H new ATOM 0 HB2 LEU A 620 -7.773 15.042 -3.516 1.00 0.00 H new ATOM 0 HB3 LEU A 620 -6.744 16.014 -2.483 1.00 0.00 H new ATOM 0 HG LEU A 620 -5.440 15.000 -4.238 1.00 0.00 H new ATOM 0 HD11 LEU A 620 -3.715 13.836 -2.924 1.00 0.00 H new ATOM 0 HD12 LEU A 620 -4.320 15.293 -2.099 1.00 0.00 H new ATOM 0 HD13 LEU A 620 -4.861 13.682 -1.571 1.00 0.00 H new ATOM 0 HD21 LEU A 620 -5.168 12.545 -4.409 1.00 0.00 H new ATOM 0 HD22 LEU A 620 -6.400 12.332 -3.143 1.00 0.00 H new ATOM 0 HD23 LEU A 620 -6.848 13.053 -4.707 1.00 0.00 H new ATOM 566 N LYS A 621 -7.933 15.947 0.189 1.00 0.00 N ATOM 567 CA LYS A 621 -7.626 16.747 1.368 1.00 0.00 C ATOM 568 C LYS A 621 -8.418 16.253 2.577 1.00 0.00 C ATOM 569 O LYS A 621 -8.533 16.950 3.587 1.00 0.00 O ATOM 570 CB LYS A 621 -7.948 18.223 1.103 1.00 0.00 C ATOM 571 CG LYS A 621 -7.293 18.781 -0.151 1.00 0.00 C ATOM 572 CD LYS A 621 -7.562 20.268 -0.302 1.00 0.00 C ATOM 573 CE LYS A 621 -7.016 20.810 -1.614 1.00 0.00 C ATOM 574 NZ LYS A 621 -7.753 20.273 -2.788 1.00 0.00 N ATOM 0 H LYS A 621 -8.821 16.181 -0.256 1.00 0.00 H new ATOM 0 HA LYS A 621 -6.562 16.645 1.583 1.00 0.00 H new ATOM 0 HB2 LYS A 621 -9.029 18.340 1.019 1.00 0.00 H new ATOM 0 HB3 LYS A 621 -7.629 18.814 1.961 1.00 0.00 H new ATOM 0 HG2 LYS A 621 -6.218 18.607 -0.110 1.00 0.00 H new ATOM 0 HG3 LYS A 621 -7.669 18.251 -1.026 1.00 0.00 H new ATOM 0 HD2 LYS A 621 -8.636 20.450 -0.252 1.00 0.00 H new ATOM 0 HD3 LYS A 621 -7.108 20.806 0.530 1.00 0.00 H new ATOM 0 HE2 LYS A 621 -7.081 21.898 -1.612 1.00 0.00 H new ATOM 0 HE3 LYS A 621 -5.960 20.554 -1.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 621 -7.075 19.890 -3.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 621 -8.396 19.517 -2.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 621 -8.304 21.036 -3.231 1.00 0.00 H new ATOM 588 N ASP A 622 -8.954 15.045 2.471 1.00 0.00 N ATOM 589 CA ASP A 622 -9.783 14.474 3.527 1.00 0.00 C ATOM 590 C ASP A 622 -8.965 13.505 4.375 1.00 0.00 C ATOM 591 O ASP A 622 -8.189 12.701 3.853 1.00 0.00 O ATOM 592 CB ASP A 622 -11.002 13.763 2.917 1.00 0.00 C ATOM 593 CG ASP A 622 -11.837 13.027 3.950 1.00 0.00 C ATOM 594 OD1 ASP A 622 -12.014 13.550 5.071 1.00 0.00 O ATOM 595 OD2 ASP A 622 -12.324 11.920 3.650 1.00 0.00 O ATOM 0 H ASP A 622 -8.830 14.438 1.661 1.00 0.00 H new ATOM 0 HA ASP A 622 -10.138 15.279 4.171 1.00 0.00 H new ATOM 0 HB2 ASP A 622 -11.627 14.497 2.408 1.00 0.00 H new ATOM 0 HB3 ASP A 622 -10.662 13.055 2.161 1.00 0.00 H new ATOM 600 N ARG A 623 -9.156 13.604 5.695 1.00 0.00 N ATOM 601 CA ARG A 623 -8.436 12.791 6.671 1.00 0.00 C ATOM 602 C ARG A 623 -8.580 11.299 6.388 1.00 0.00 C ATOM 603 O ARG A 623 -7.639 10.538 6.609 1.00 0.00 O ATOM 604 CB ARG A 623 -8.919 13.101 8.090 1.00 0.00 C ATOM 605 CG ARG A 623 -8.523 14.484 8.581 1.00 0.00 C ATOM 606 CD ARG A 623 -9.028 14.742 9.988 1.00 0.00 C ATOM 607 NE ARG A 623 -8.640 16.068 10.464 1.00 0.00 N ATOM 608 CZ ARG A 623 -8.834 16.504 11.706 1.00 0.00 C ATOM 609 NH1 ARG A 623 -9.418 15.725 12.606 1.00 0.00 N ATOM 610 NH2 ARG A 623 -8.440 17.722 12.046 1.00 0.00 N ATOM 0 H ARG A 623 -9.819 14.255 6.115 1.00 0.00 H new ATOM 0 HA ARG A 623 -7.380 13.047 6.586 1.00 0.00 H new ATOM 0 HB2 ARG A 623 -10.005 13.010 8.123 1.00 0.00 H new ATOM 0 HB3 ARG A 623 -8.516 12.353 8.773 1.00 0.00 H new ATOM 0 HG2 ARG A 623 -7.438 14.581 8.560 1.00 0.00 H new ATOM 0 HG3 ARG A 623 -8.924 15.239 7.905 1.00 0.00 H new ATOM 0 HD2 ARG A 623 -10.114 14.651 10.008 1.00 0.00 H new ATOM 0 HD3 ARG A 623 -8.632 13.983 10.662 1.00 0.00 H new ATOM 0 HE ARG A 623 -8.191 16.700 9.801 1.00 0.00 H new ATOM 0 HH11 ARG A 623 -9.721 14.786 12.348 1.00 0.00 H new ATOM 0 HH12 ARG A 623 -9.564 16.065 13.557 1.00 0.00 H new ATOM 0 HH21 ARG A 623 -7.989 18.323 11.356 1.00 0.00 H new ATOM 0 HH22 ARG A 623 -8.588 18.059 12.997 1.00 0.00 H new ATOM 624 N ARG A 624 -9.761 10.882 5.932 1.00 0.00 N ATOM 625 CA ARG A 624 -10.014 9.477 5.624 1.00 0.00 C ATOM 626 C ARG A 624 -8.969 8.934 4.658 1.00 0.00 C ATOM 627 O ARG A 624 -8.410 7.858 4.879 1.00 0.00 O ATOM 628 CB ARG A 624 -11.407 9.306 5.015 1.00 0.00 C ATOM 629 CG ARG A 624 -11.783 7.859 4.735 1.00 0.00 C ATOM 630 CD ARG A 624 -13.155 7.753 4.095 1.00 0.00 C ATOM 631 NE ARG A 624 -14.142 8.579 4.788 1.00 0.00 N ATOM 632 CZ ARG A 624 -15.165 8.102 5.499 1.00 0.00 C ATOM 633 NH1 ARG A 624 -15.340 6.792 5.636 1.00 0.00 N ATOM 634 NH2 ARG A 624 -16.014 8.948 6.071 1.00 0.00 N ATOM 0 H ARG A 624 -10.557 11.498 5.768 1.00 0.00 H new ATOM 0 HA ARG A 624 -9.956 8.916 6.557 1.00 0.00 H new ATOM 0 HB2 ARG A 624 -12.144 9.738 5.691 1.00 0.00 H new ATOM 0 HB3 ARG A 624 -11.458 9.871 4.084 1.00 0.00 H new ATOM 0 HG2 ARG A 624 -11.039 7.409 4.078 1.00 0.00 H new ATOM 0 HG3 ARG A 624 -11.770 7.292 5.666 1.00 0.00 H new ATOM 0 HD2 ARG A 624 -13.094 8.059 3.051 1.00 0.00 H new ATOM 0 HD3 ARG A 624 -13.481 6.713 4.104 1.00 0.00 H new ATOM 0 HE ARG A 624 -14.041 9.592 4.723 1.00 0.00 H new ATOM 0 HH11 ARG A 624 -14.689 6.142 5.196 1.00 0.00 H new ATOM 0 HH12 ARG A 624 -16.125 6.437 6.182 1.00 0.00 H new ATOM 0 HH21 ARG A 624 -15.881 9.954 5.965 1.00 0.00 H new ATOM 0 HH22 ARG A 624 -16.799 8.592 6.616 1.00 0.00 H new ATOM 648 N MET A 625 -8.695 9.684 3.595 1.00 0.00 N ATOM 649 CA MET A 625 -7.708 9.253 2.617 1.00 0.00 C ATOM 650 C MET A 625 -6.319 9.202 3.242 1.00 0.00 C ATOM 651 O MET A 625 -5.570 8.260 3.008 1.00 0.00 O ATOM 652 CB MET A 625 -7.703 10.135 1.356 1.00 0.00 C ATOM 653 CG MET A 625 -6.628 9.720 0.352 1.00 0.00 C ATOM 654 SD MET A 625 -6.510 10.823 -1.073 1.00 0.00 S ATOM 655 CE MET A 625 -8.106 10.564 -1.845 1.00 0.00 C ATOM 0 H MET A 625 -9.137 10.581 3.392 1.00 0.00 H new ATOM 0 HA MET A 625 -7.992 8.249 2.301 1.00 0.00 H new ATOM 0 HB2 MET A 625 -8.681 10.084 0.877 1.00 0.00 H new ATOM 0 HB3 MET A 625 -7.544 11.174 1.645 1.00 0.00 H new ATOM 0 HG2 MET A 625 -5.663 9.688 0.858 1.00 0.00 H new ATOM 0 HG3 MET A 625 -6.839 8.709 0.003 1.00 0.00 H new ATOM 0 HE1 MET A 625 -7.963 10.234 -2.874 1.00 0.00 H new ATOM 0 HE2 MET A 625 -8.658 9.803 -1.293 1.00 0.00 H new ATOM 0 HE3 MET A 625 -8.669 11.497 -1.839 1.00 0.00 H new ATOM 665 N GLU A 626 -5.991 10.188 4.075 1.00 0.00 N ATOM 666 CA GLU A 626 -4.666 10.271 4.668 1.00 0.00 C ATOM 667 C GLU A 626 -4.420 9.094 5.604 1.00 0.00 C ATOM 668 O GLU A 626 -3.318 8.551 5.655 1.00 0.00 O ATOM 669 CB GLU A 626 -4.491 11.596 5.407 1.00 0.00 C ATOM 670 CG GLU A 626 -4.672 12.809 4.509 1.00 0.00 C ATOM 671 CD GLU A 626 -4.337 14.110 5.203 1.00 0.00 C ATOM 672 OE1 GLU A 626 -5.164 14.592 6.003 1.00 0.00 O ATOM 673 OE2 GLU A 626 -3.242 14.659 4.951 1.00 0.00 O ATOM 0 H GLU A 626 -6.626 10.937 4.351 1.00 0.00 H new ATOM 0 HA GLU A 626 -3.929 10.227 3.867 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -5.210 11.647 6.225 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -3.497 11.627 5.854 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -4.040 12.700 3.628 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -5.704 12.845 4.159 1.00 0.00 H new ATOM 680 N ASN A 627 -5.454 8.709 6.347 1.00 0.00 N ATOM 681 CA ASN A 627 -5.370 7.565 7.254 1.00 0.00 C ATOM 682 C ASN A 627 -5.047 6.285 6.489 1.00 0.00 C ATOM 683 O ASN A 627 -4.211 5.490 6.920 1.00 0.00 O ATOM 684 CB ASN A 627 -6.683 7.382 8.026 1.00 0.00 C ATOM 685 CG ASN A 627 -6.860 8.366 9.175 1.00 0.00 C ATOM 686 OD1 ASN A 627 -6.223 9.524 9.085 1.00 0.00 O flip ATOM 687 ND2 ASN A 627 -7.566 8.080 10.142 1.00 0.00 N flip ATOM 0 H ASN A 627 -6.362 9.173 6.340 1.00 0.00 H new ATOM 0 HA ASN A 627 -4.566 7.766 7.962 1.00 0.00 H new ATOM 0 HB2 ASN A 627 -7.519 7.490 7.335 1.00 0.00 H new ATOM 0 HB3 ASN A 627 -6.724 6.366 8.420 1.00 0.00 H new ATOM 0 HD21 ASN A 627 -8.042 7.178 10.177 1.00 0.00 H new ATOM 0 HD22 ASN A 627 -7.675 8.745 10.908 1.00 0.00 H new ATOM 694 N LEU A 628 -5.722 6.080 5.362 1.00 0.00 N ATOM 695 CA LEU A 628 -5.469 4.901 4.528 1.00 0.00 C ATOM 696 C LEU A 628 -4.069 4.981 3.911 1.00 0.00 C ATOM 697 O LEU A 628 -3.378 3.967 3.799 1.00 0.00 O ATOM 698 CB LEU A 628 -6.589 4.690 3.465 1.00 0.00 C ATOM 699 CG LEU A 628 -6.483 5.450 2.130 1.00 0.00 C ATOM 700 CD1 LEU A 628 -5.541 4.746 1.165 1.00 0.00 C ATOM 701 CD2 LEU A 628 -7.863 5.582 1.504 1.00 0.00 C ATOM 0 H LEU A 628 -6.443 6.707 5.004 1.00 0.00 H new ATOM 0 HA LEU A 628 -5.497 4.015 5.162 1.00 0.00 H new ATOM 0 HB2 LEU A 628 -6.635 3.625 3.238 1.00 0.00 H new ATOM 0 HB3 LEU A 628 -7.539 4.959 3.926 1.00 0.00 H new ATOM 0 HG LEU A 628 -6.076 6.441 2.334 1.00 0.00 H new ATOM 0 HD11 LEU A 628 -5.489 5.308 0.233 1.00 0.00 H new ATOM 0 HD12 LEU A 628 -4.547 4.684 1.607 1.00 0.00 H new ATOM 0 HD13 LEU A 628 -5.912 3.741 0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 628 -7.784 6.120 0.560 1.00 0.00 H new ATOM 0 HD22 LEU A 628 -8.277 4.590 1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 628 -8.518 6.130 2.181 1.00 0.00 H new ATOM 713 N VAL A 629 -3.650 6.187 3.522 1.00 0.00 N ATOM 714 CA VAL A 629 -2.315 6.390 2.958 1.00 0.00 C ATOM 715 C VAL A 629 -1.250 6.046 3.996 1.00 0.00 C ATOM 716 O VAL A 629 -0.222 5.448 3.675 1.00 0.00 O ATOM 717 CB VAL A 629 -2.106 7.844 2.471 1.00 0.00 C ATOM 718 CG1 VAL A 629 -0.671 8.063 2.013 1.00 0.00 C ATOM 719 CG2 VAL A 629 -3.068 8.178 1.344 1.00 0.00 C ATOM 0 H VAL A 629 -4.214 7.035 3.587 1.00 0.00 H new ATOM 0 HA VAL A 629 -2.224 5.729 2.096 1.00 0.00 H new ATOM 0 HB VAL A 629 -2.307 8.508 3.311 1.00 0.00 H new ATOM 0 HG11 VAL A 629 -0.550 9.092 1.676 1.00 0.00 H new ATOM 0 HG12 VAL A 629 0.009 7.871 2.843 1.00 0.00 H new ATOM 0 HG13 VAL A 629 -0.443 7.383 1.192 1.00 0.00 H new ATOM 0 HG21 VAL A 629 -2.903 9.205 1.017 1.00 0.00 H new ATOM 0 HG22 VAL A 629 -2.898 7.500 0.508 1.00 0.00 H new ATOM 0 HG23 VAL A 629 -4.094 8.070 1.697 1.00 0.00 H new ATOM 729 N ALA A 630 -1.508 6.434 5.239 1.00 0.00 N ATOM 730 CA ALA A 630 -0.628 6.108 6.350 1.00 0.00 C ATOM 731 C ALA A 630 -0.412 4.597 6.456 1.00 0.00 C ATOM 732 O ALA A 630 0.703 4.145 6.723 1.00 0.00 O ATOM 733 CB ALA A 630 -1.177 6.685 7.651 1.00 0.00 C ATOM 0 H ALA A 630 -2.328 6.980 5.502 1.00 0.00 H new ATOM 0 HA ALA A 630 0.345 6.563 6.163 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -0.507 6.432 8.473 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -1.253 7.769 7.565 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -2.164 6.267 7.846 1.00 0.00 H new ATOM 739 N TYR A 631 -1.469 3.814 6.227 1.00 0.00 N ATOM 740 CA TYR A 631 -1.347 2.358 6.265 1.00 0.00 C ATOM 741 C TYR A 631 -0.405 1.875 5.167 1.00 0.00 C ATOM 742 O TYR A 631 0.344 0.917 5.363 1.00 0.00 O ATOM 743 CB TYR A 631 -2.696 1.628 6.150 1.00 0.00 C ATOM 744 CG TYR A 631 -2.555 0.142 6.405 1.00 0.00 C ATOM 745 CD1 TYR A 631 -1.979 -0.310 7.588 1.00 0.00 C ATOM 746 CD2 TYR A 631 -2.964 -0.807 5.473 1.00 0.00 C ATOM 747 CE1 TYR A 631 -1.810 -1.655 7.833 1.00 0.00 C ATOM 748 CE2 TYR A 631 -2.805 -2.158 5.720 1.00 0.00 C ATOM 749 CZ TYR A 631 -2.225 -2.574 6.900 1.00 0.00 C ATOM 750 OH TYR A 631 -2.042 -3.918 7.140 1.00 0.00 O ATOM 0 H TYR A 631 -2.406 4.159 6.016 1.00 0.00 H new ATOM 0 HA TYR A 631 -0.938 2.113 7.245 1.00 0.00 H new ATOM 0 HB2 TYR A 631 -3.402 2.054 6.863 1.00 0.00 H new ATOM 0 HB3 TYR A 631 -3.112 1.788 5.155 1.00 0.00 H new ATOM 0 HD1 TYR A 631 -1.658 0.408 8.329 1.00 0.00 H new ATOM 0 HD2 TYR A 631 -3.411 -0.484 4.545 1.00 0.00 H new ATOM 0 HE1 TYR A 631 -1.353 -1.985 8.754 1.00 0.00 H new ATOM 0 HE2 TYR A 631 -3.134 -2.885 4.992 1.00 0.00 H new ATOM 0 HH TYR A 631 -2.390 -4.436 6.384 1.00 0.00 H new ATOM 760 N ALA A 632 -0.455 2.526 4.007 1.00 0.00 N ATOM 761 CA ALA A 632 0.416 2.168 2.894 1.00 0.00 C ATOM 762 C ALA A 632 1.881 2.292 3.306 1.00 0.00 C ATOM 763 O ALA A 632 2.707 1.446 2.961 1.00 0.00 O ATOM 764 CB ALA A 632 0.127 3.040 1.679 1.00 0.00 C ATOM 0 H ALA A 632 -1.088 3.302 3.815 1.00 0.00 H new ATOM 0 HA ALA A 632 0.217 1.131 2.622 1.00 0.00 H new ATOM 0 HB1 ALA A 632 0.789 2.755 0.861 1.00 0.00 H new ATOM 0 HB2 ALA A 632 -0.910 2.904 1.372 1.00 0.00 H new ATOM 0 HB3 ALA A 632 0.295 4.086 1.934 1.00 0.00 H new ATOM 770 N LYS A 633 2.198 3.346 4.059 1.00 0.00 N ATOM 771 CA LYS A 633 3.538 3.529 4.605 1.00 0.00 C ATOM 772 C LYS A 633 3.872 2.429 5.606 1.00 0.00 C ATOM 773 O LYS A 633 4.999 1.940 5.648 1.00 0.00 O ATOM 774 CB LYS A 633 3.665 4.896 5.285 1.00 0.00 C ATOM 775 CG LYS A 633 4.456 5.919 4.482 1.00 0.00 C ATOM 776 CD LYS A 633 3.761 6.270 3.178 1.00 0.00 C ATOM 777 CE LYS A 633 2.542 7.151 3.406 1.00 0.00 C ATOM 778 NZ LYS A 633 2.917 8.500 3.906 1.00 0.00 N ATOM 0 H LYS A 633 1.541 4.087 4.304 1.00 0.00 H new ATOM 0 HA LYS A 633 4.243 3.477 3.775 1.00 0.00 H new ATOM 0 HB2 LYS A 633 2.666 5.291 5.472 1.00 0.00 H new ATOM 0 HB3 LYS A 633 4.143 4.764 6.256 1.00 0.00 H new ATOM 0 HG2 LYS A 633 4.591 6.822 5.077 1.00 0.00 H new ATOM 0 HG3 LYS A 633 5.450 5.525 4.270 1.00 0.00 H new ATOM 0 HD2 LYS A 633 4.462 6.783 2.519 1.00 0.00 H new ATOM 0 HD3 LYS A 633 3.458 5.355 2.670 1.00 0.00 H new ATOM 0 HE2 LYS A 633 1.987 7.251 2.473 1.00 0.00 H new ATOM 0 HE3 LYS A 633 1.876 6.671 4.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 633 2.112 9.148 3.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 633 3.173 8.438 4.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 633 3.729 8.858 3.363 1.00 0.00 H new ATOM 792 N LYS A 634 2.892 2.065 6.425 1.00 0.00 N ATOM 793 CA LYS A 634 3.054 0.972 7.381 1.00 0.00 C ATOM 794 C LYS A 634 3.395 -0.323 6.650 1.00 0.00 C ATOM 795 O LYS A 634 4.234 -1.104 7.103 1.00 0.00 O ATOM 796 CB LYS A 634 1.779 0.784 8.208 1.00 0.00 C ATOM 797 CG LYS A 634 1.357 2.023 8.979 1.00 0.00 C ATOM 798 CD LYS A 634 2.405 2.430 9.999 1.00 0.00 C ATOM 799 CE LYS A 634 2.016 3.711 10.714 1.00 0.00 C ATOM 800 NZ LYS A 634 3.041 4.122 11.708 1.00 0.00 N ATOM 0 H LYS A 634 1.975 2.511 6.447 1.00 0.00 H new ATOM 0 HA LYS A 634 3.872 1.226 8.055 1.00 0.00 H new ATOM 0 HB2 LYS A 634 0.967 0.487 7.544 1.00 0.00 H new ATOM 0 HB3 LYS A 634 1.931 -0.035 8.911 1.00 0.00 H new ATOM 0 HG2 LYS A 634 1.187 2.845 8.283 1.00 0.00 H new ATOM 0 HG3 LYS A 634 0.411 1.833 9.485 1.00 0.00 H new ATOM 0 HD2 LYS A 634 2.535 1.630 10.728 1.00 0.00 H new ATOM 0 HD3 LYS A 634 3.365 2.567 9.501 1.00 0.00 H new ATOM 0 HE2 LYS A 634 1.879 4.508 9.983 1.00 0.00 H new ATOM 0 HE3 LYS A 634 1.059 3.571 11.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 634 2.739 5.001 12.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 634 3.154 3.373 12.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 634 3.949 4.281 11.225 1.00 0.00 H new ATOM 814 N VAL A 635 2.718 -0.550 5.528 1.00 0.00 N ATOM 815 CA VAL A 635 3.051 -1.659 4.640 1.00 0.00 C ATOM 816 C VAL A 635 4.519 -1.603 4.234 1.00 0.00 C ATOM 817 O VAL A 635 5.237 -2.589 4.374 1.00 0.00 O ATOM 818 CB VAL A 635 2.156 -1.664 3.376 1.00 0.00 C ATOM 819 CG1 VAL A 635 2.783 -2.486 2.260 1.00 0.00 C ATOM 820 CG2 VAL A 635 0.779 -2.214 3.707 1.00 0.00 C ATOM 0 H VAL A 635 1.934 0.021 5.212 1.00 0.00 H new ATOM 0 HA VAL A 635 2.868 -2.582 5.191 1.00 0.00 H new ATOM 0 HB VAL A 635 2.060 -0.634 3.032 1.00 0.00 H new ATOM 0 HG11 VAL A 635 2.131 -2.470 1.386 1.00 0.00 H new ATOM 0 HG12 VAL A 635 3.753 -2.063 1.997 1.00 0.00 H new ATOM 0 HG13 VAL A 635 2.915 -3.515 2.596 1.00 0.00 H new ATOM 0 HG21 VAL A 635 0.161 -2.212 2.809 1.00 0.00 H new ATOM 0 HG22 VAL A 635 0.874 -3.234 4.079 1.00 0.00 H new ATOM 0 HG23 VAL A 635 0.312 -1.591 4.470 1.00 0.00 H new ATOM 830 N GLU A 636 4.964 -0.439 3.772 1.00 0.00 N ATOM 831 CA GLU A 636 6.361 -0.232 3.418 1.00 0.00 C ATOM 832 C GLU A 636 7.261 -0.559 4.610 1.00 0.00 C ATOM 833 O GLU A 636 8.272 -1.241 4.464 1.00 0.00 O ATOM 834 CB GLU A 636 6.545 1.213 2.931 1.00 0.00 C ATOM 835 CG GLU A 636 7.903 1.837 3.226 1.00 0.00 C ATOM 836 CD GLU A 636 9.068 1.155 2.531 1.00 0.00 C ATOM 837 OE1 GLU A 636 8.855 0.507 1.488 1.00 0.00 O ATOM 838 OE2 GLU A 636 10.207 1.276 3.039 1.00 0.00 O ATOM 0 H GLU A 636 4.371 0.380 3.634 1.00 0.00 H new ATOM 0 HA GLU A 636 6.649 -0.903 2.609 1.00 0.00 H new ATOM 0 HB2 GLU A 636 6.379 1.239 1.854 1.00 0.00 H new ATOM 0 HB3 GLU A 636 5.773 1.833 3.387 1.00 0.00 H new ATOM 0 HG2 GLU A 636 7.881 2.885 2.928 1.00 0.00 H new ATOM 0 HG3 GLU A 636 8.074 1.815 4.302 1.00 0.00 H new ATOM 845 N GLY A 637 6.869 -0.095 5.792 1.00 0.00 N ATOM 846 CA GLY A 637 7.609 -0.413 7.004 1.00 0.00 C ATOM 847 C GLY A 637 7.746 -1.909 7.229 1.00 0.00 C ATOM 848 O GLY A 637 8.839 -2.401 7.504 1.00 0.00 O ATOM 0 H GLY A 637 6.051 0.497 5.935 1.00 0.00 H new ATOM 0 HA2 GLY A 637 8.601 0.035 6.947 1.00 0.00 H new ATOM 0 HA3 GLY A 637 7.106 0.035 7.861 1.00 0.00 H new ATOM 852 N ASP A 638 6.637 -2.634 7.124 1.00 0.00 N ATOM 853 CA ASP A 638 6.648 -4.089 7.288 1.00 0.00 C ATOM 854 C ASP A 638 7.488 -4.769 6.207 1.00 0.00 C ATOM 855 O ASP A 638 8.314 -5.632 6.509 1.00 0.00 O ATOM 856 CB ASP A 638 5.220 -4.646 7.261 1.00 0.00 C ATOM 857 CG ASP A 638 5.182 -6.163 7.325 1.00 0.00 C ATOM 858 OD1 ASP A 638 5.412 -6.722 8.412 1.00 0.00 O ATOM 859 OD2 ASP A 638 4.903 -6.801 6.291 1.00 0.00 O ATOM 0 H ASP A 638 5.717 -2.240 6.926 1.00 0.00 H new ATOM 0 HA ASP A 638 7.099 -4.304 8.257 1.00 0.00 H new ATOM 0 HB2 ASP A 638 4.659 -4.237 8.101 1.00 0.00 H new ATOM 0 HB3 ASP A 638 4.721 -4.312 6.351 1.00 0.00 H new ATOM 864 N MET A 639 7.277 -4.362 4.962 1.00 0.00 N ATOM 865 CA MET A 639 7.974 -4.959 3.815 1.00 0.00 C ATOM 866 C MET A 639 9.470 -4.706 3.895 1.00 0.00 C ATOM 867 O MET A 639 10.267 -5.572 3.558 1.00 0.00 O ATOM 868 CB MET A 639 7.448 -4.406 2.474 1.00 0.00 C ATOM 869 CG MET A 639 5.938 -4.515 2.291 1.00 0.00 C ATOM 870 SD MET A 639 5.352 -6.215 2.345 1.00 0.00 S ATOM 871 CE MET A 639 3.604 -5.967 2.086 1.00 0.00 C ATOM 0 H MET A 639 6.626 -3.617 4.713 1.00 0.00 H new ATOM 0 HA MET A 639 7.779 -6.031 3.856 1.00 0.00 H new ATOM 0 HB2 MET A 639 7.736 -3.358 2.390 1.00 0.00 H new ATOM 0 HB3 MET A 639 7.939 -4.938 1.659 1.00 0.00 H new ATOM 0 HG2 MET A 639 5.439 -3.938 3.070 1.00 0.00 H new ATOM 0 HG3 MET A 639 5.659 -4.069 1.336 1.00 0.00 H new ATOM 0 HE1 MET A 639 3.148 -6.902 1.759 1.00 0.00 H new ATOM 0 HE2 MET A 639 3.140 -5.644 3.018 1.00 0.00 H new ATOM 0 HE3 MET A 639 3.454 -5.204 1.323 1.00 0.00 H new ATOM 881 N TYR A 640 9.820 -3.511 4.362 1.00 0.00 N ATOM 882 CA TYR A 640 11.189 -2.981 4.270 1.00 0.00 C ATOM 883 C TYR A 640 12.254 -3.978 4.747 1.00 0.00 C ATOM 884 O TYR A 640 13.321 -4.058 4.142 1.00 0.00 O ATOM 885 CB TYR A 640 11.316 -1.655 5.047 1.00 0.00 C ATOM 886 CG TYR A 640 12.571 -0.867 4.728 1.00 0.00 C ATOM 887 CD1 TYR A 640 13.000 -0.710 3.414 1.00 0.00 C ATOM 888 CD2 TYR A 640 13.322 -0.266 5.736 1.00 0.00 C ATOM 889 CE1 TYR A 640 14.135 0.011 3.115 1.00 0.00 C ATOM 890 CE2 TYR A 640 14.462 0.457 5.440 1.00 0.00 C ATOM 891 CZ TYR A 640 14.863 0.591 4.130 1.00 0.00 C ATOM 892 OH TYR A 640 15.996 1.314 3.828 1.00 0.00 O ATOM 0 H TYR A 640 9.164 -2.876 4.818 1.00 0.00 H new ATOM 0 HA TYR A 640 11.375 -2.800 3.211 1.00 0.00 H new ATOM 0 HB2 TYR A 640 10.446 -1.035 4.830 1.00 0.00 H new ATOM 0 HB3 TYR A 640 11.297 -1.869 6.116 1.00 0.00 H new ATOM 0 HD1 TYR A 640 12.433 -1.162 2.614 1.00 0.00 H new ATOM 0 HD2 TYR A 640 13.008 -0.367 6.765 1.00 0.00 H new ATOM 0 HE1 TYR A 640 14.453 0.121 2.089 1.00 0.00 H new ATOM 0 HE2 TYR A 640 15.035 0.915 6.233 1.00 0.00 H new ATOM 0 HH TYR A 640 16.394 1.659 4.655 1.00 0.00 H new ATOM 902 N GLU A 641 11.981 -4.746 5.798 1.00 0.00 N ATOM 903 CA GLU A 641 12.986 -5.704 6.284 1.00 0.00 C ATOM 904 C GLU A 641 13.227 -6.807 5.249 1.00 0.00 C ATOM 905 O GLU A 641 14.367 -7.084 4.870 1.00 0.00 O ATOM 906 CB GLU A 641 12.582 -6.322 7.629 1.00 0.00 C ATOM 907 CG GLU A 641 12.909 -5.425 8.844 1.00 0.00 C ATOM 908 CD GLU A 641 12.025 -4.201 8.928 1.00 0.00 C ATOM 909 OE1 GLU A 641 10.910 -4.308 9.484 1.00 0.00 O ATOM 910 OE2 GLU A 641 12.445 -3.122 8.457 1.00 0.00 O ATOM 0 H GLU A 641 11.104 -4.732 6.319 1.00 0.00 H new ATOM 0 HA GLU A 641 13.912 -5.150 6.436 1.00 0.00 H new ATOM 0 HB2 GLU A 641 11.512 -6.529 7.618 1.00 0.00 H new ATOM 0 HB3 GLU A 641 13.090 -7.279 7.747 1.00 0.00 H new ATOM 0 HG2 GLU A 641 12.801 -6.008 9.759 1.00 0.00 H new ATOM 0 HG3 GLU A 641 13.951 -5.111 8.787 1.00 0.00 H new ATOM 917 N SER A 642 12.139 -7.418 4.796 1.00 0.00 N ATOM 918 CA SER A 642 12.187 -8.457 3.770 1.00 0.00 C ATOM 919 C SER A 642 12.647 -7.888 2.422 1.00 0.00 C ATOM 920 O SER A 642 13.369 -8.548 1.673 1.00 0.00 O ATOM 921 CB SER A 642 10.810 -9.118 3.633 1.00 0.00 C ATOM 922 OG SER A 642 10.855 -10.241 2.773 1.00 0.00 O ATOM 0 H SER A 642 11.198 -7.208 5.128 1.00 0.00 H new ATOM 0 HA SER A 642 12.915 -9.208 4.077 1.00 0.00 H new ATOM 0 HB2 SER A 642 10.454 -9.426 4.616 1.00 0.00 H new ATOM 0 HB3 SER A 642 10.094 -8.392 3.248 1.00 0.00 H new ATOM 0 HG SER A 642 9.962 -10.640 2.709 1.00 0.00 H new ATOM 928 N ALA A 643 12.177 -6.675 2.120 1.00 0.00 N ATOM 929 CA ALA A 643 12.481 -5.930 0.883 1.00 0.00 C ATOM 930 C ALA A 643 13.973 -5.716 0.589 1.00 0.00 C ATOM 931 O ALA A 643 14.329 -4.818 -0.172 1.00 0.00 O ATOM 932 CB ALA A 643 11.786 -4.582 0.922 1.00 0.00 C ATOM 0 H ALA A 643 11.554 -6.163 2.745 1.00 0.00 H new ATOM 0 HA ALA A 643 12.111 -6.559 0.074 1.00 0.00 H new ATOM 0 HB1 ALA A 643 12.010 -4.031 0.009 1.00 0.00 H new ATOM 0 HB2 ALA A 643 10.709 -4.730 1.002 1.00 0.00 H new ATOM 0 HB3 ALA A 643 12.139 -4.015 1.784 1.00 0.00 H new ATOM 938 N ASN A 644 14.843 -6.513 1.171 1.00 0.00 N ATOM 939 CA ASN A 644 16.268 -6.349 0.933 1.00 0.00 C ATOM 940 C ASN A 644 16.661 -7.162 -0.303 1.00 0.00 C ATOM 941 O ASN A 644 17.819 -7.529 -0.484 1.00 0.00 O ATOM 942 CB ASN A 644 17.100 -6.750 2.166 1.00 0.00 C ATOM 943 CG ASN A 644 18.483 -6.064 2.183 1.00 0.00 C ATOM 944 OD1 ASN A 644 18.642 -5.042 2.848 1.00 0.00 O ATOM 945 ND2 ASN A 644 19.479 -6.556 1.422 1.00 0.00 N ATOM 0 H ASN A 644 14.597 -7.273 1.805 1.00 0.00 H new ATOM 0 HA ASN A 644 16.481 -5.296 0.751 1.00 0.00 H new ATOM 0 HB2 ASN A 644 16.554 -6.487 3.072 1.00 0.00 H new ATOM 0 HB3 ASN A 644 17.233 -7.832 2.177 1.00 0.00 H new ATOM 0 HD21 ASN A 644 20.381 -6.080 1.392 1.00 0.00 H new ATOM 0 HD22 ASN A 644 19.332 -7.405 0.876 1.00 0.00 H new ATOM 952 N SER A 645 15.670 -7.427 -1.158 1.00 0.00 N ATOM 953 CA SER A 645 15.879 -8.132 -2.410 1.00 0.00 C ATOM 954 C SER A 645 14.837 -7.664 -3.427 1.00 0.00 C ATOM 955 O SER A 645 13.658 -7.557 -3.083 1.00 0.00 O ATOM 956 CB SER A 645 15.782 -9.649 -2.204 1.00 0.00 C ATOM 957 OG SER A 645 16.746 -10.106 -1.265 1.00 0.00 O ATOM 0 H SER A 645 14.701 -7.155 -0.995 1.00 0.00 H new ATOM 0 HA SER A 645 16.879 -7.910 -2.783 1.00 0.00 H new ATOM 0 HB2 SER A 645 14.782 -9.908 -1.856 1.00 0.00 H new ATOM 0 HB3 SER A 645 15.930 -10.158 -3.157 1.00 0.00 H new ATOM 0 HG SER A 645 16.659 -11.076 -1.153 1.00 0.00 H new ATOM 963 N ARG A 646 15.263 -7.354 -4.646 1.00 0.00 N ATOM 964 CA ARG A 646 14.381 -6.709 -5.623 1.00 0.00 C ATOM 965 C ARG A 646 13.103 -7.508 -5.847 1.00 0.00 C ATOM 966 O ARG A 646 11.998 -6.974 -5.710 1.00 0.00 O ATOM 967 CB ARG A 646 15.106 -6.531 -6.961 1.00 0.00 C ATOM 968 CG ARG A 646 16.350 -5.663 -6.876 1.00 0.00 C ATOM 969 CD ARG A 646 16.021 -4.243 -6.450 1.00 0.00 C ATOM 970 NE ARG A 646 15.184 -3.549 -7.430 1.00 0.00 N ATOM 971 CZ ARG A 646 15.363 -2.279 -7.799 1.00 0.00 C ATOM 972 NH1 ARG A 646 16.347 -1.558 -7.277 1.00 0.00 N ATOM 973 NH2 ARG A 646 14.549 -1.728 -8.687 1.00 0.00 N ATOM 0 H ARG A 646 16.208 -7.536 -4.984 1.00 0.00 H new ATOM 0 HA ARG A 646 14.110 -5.735 -5.217 1.00 0.00 H new ATOM 0 HB2 ARG A 646 15.385 -7.512 -7.345 1.00 0.00 H new ATOM 0 HB3 ARG A 646 14.416 -6.091 -7.681 1.00 0.00 H new ATOM 0 HG2 ARG A 646 17.051 -6.102 -6.166 1.00 0.00 H new ATOM 0 HG3 ARG A 646 16.847 -5.645 -7.846 1.00 0.00 H new ATOM 0 HD2 ARG A 646 15.509 -4.264 -5.488 1.00 0.00 H new ATOM 0 HD3 ARG A 646 16.947 -3.685 -6.306 1.00 0.00 H new ATOM 0 HE ARG A 646 14.417 -4.068 -7.857 1.00 0.00 H new ATOM 0 HH11 ARG A 646 16.974 -1.974 -6.588 1.00 0.00 H new ATOM 0 HH12 ARG A 646 16.477 -0.588 -7.565 1.00 0.00 H new ATOM 0 HH21 ARG A 646 13.787 -2.274 -9.088 1.00 0.00 H new ATOM 0 HH22 ARG A 646 14.685 -0.757 -8.970 1.00 0.00 H new ATOM 987 N ASP A 647 13.262 -8.793 -6.134 1.00 0.00 N ATOM 988 CA ASP A 647 12.130 -9.668 -6.427 1.00 0.00 C ATOM 989 C ASP A 647 11.212 -9.793 -5.222 1.00 0.00 C ATOM 990 O ASP A 647 9.987 -9.789 -5.353 1.00 0.00 O ATOM 991 CB ASP A 647 12.628 -11.050 -6.852 1.00 0.00 C ATOM 992 CG ASP A 647 11.501 -12.045 -7.032 1.00 0.00 C ATOM 993 OD1 ASP A 647 10.718 -11.905 -7.998 1.00 0.00 O ATOM 994 OD2 ASP A 647 11.403 -12.986 -6.218 1.00 0.00 O ATOM 0 H ASP A 647 14.170 -9.257 -6.171 1.00 0.00 H new ATOM 0 HA ASP A 647 11.562 -9.226 -7.245 1.00 0.00 H new ATOM 0 HB2 ASP A 647 13.182 -10.961 -7.787 1.00 0.00 H new ATOM 0 HB3 ASP A 647 13.325 -11.427 -6.103 1.00 0.00 H new ATOM 999 N GLU A 648 11.816 -9.898 -4.046 1.00 0.00 N ATOM 1000 CA GLU A 648 11.065 -10.005 -2.802 1.00 0.00 C ATOM 1001 C GLU A 648 10.168 -8.784 -2.623 1.00 0.00 C ATOM 1002 O GLU A 648 8.970 -8.908 -2.371 1.00 0.00 O ATOM 1003 CB GLU A 648 12.022 -10.117 -1.612 1.00 0.00 C ATOM 1004 CG GLU A 648 11.362 -10.619 -0.339 1.00 0.00 C ATOM 1005 CD GLU A 648 11.032 -12.094 -0.405 1.00 0.00 C ATOM 1006 OE1 GLU A 648 10.024 -12.463 -1.041 1.00 0.00 O ATOM 1007 OE2 GLU A 648 11.790 -12.899 0.180 1.00 0.00 O ATOM 0 H GLU A 648 12.829 -9.911 -3.927 1.00 0.00 H new ATOM 0 HA GLU A 648 10.446 -10.901 -2.848 1.00 0.00 H new ATOM 0 HB2 GLU A 648 12.838 -10.789 -1.876 1.00 0.00 H new ATOM 0 HB3 GLU A 648 12.464 -9.139 -1.420 1.00 0.00 H new ATOM 0 HG2 GLU A 648 12.024 -10.435 0.507 1.00 0.00 H new ATOM 0 HG3 GLU A 648 10.448 -10.053 -0.159 1.00 0.00 H new ATOM 1014 N TYR A 649 10.768 -7.609 -2.792 1.00 0.00 N ATOM 1015 CA TYR A 649 10.076 -6.337 -2.603 1.00 0.00 C ATOM 1016 C TYR A 649 8.829 -6.252 -3.481 1.00 0.00 C ATOM 1017 O TYR A 649 7.747 -5.920 -2.994 1.00 0.00 O ATOM 1018 CB TYR A 649 11.029 -5.171 -2.914 1.00 0.00 C ATOM 1019 CG TYR A 649 10.577 -3.809 -2.408 1.00 0.00 C ATOM 1020 CD1 TYR A 649 9.563 -3.675 -1.461 1.00 0.00 C ATOM 1021 CD2 TYR A 649 11.183 -2.651 -2.879 1.00 0.00 C ATOM 1022 CE1 TYR A 649 9.170 -2.427 -1.004 1.00 0.00 C ATOM 1023 CE2 TYR A 649 10.795 -1.403 -2.429 1.00 0.00 C ATOM 1024 CZ TYR A 649 9.791 -1.296 -1.493 1.00 0.00 C ATOM 1025 OH TYR A 649 9.402 -0.050 -1.054 1.00 0.00 O ATOM 0 H TYR A 649 11.746 -7.511 -3.063 1.00 0.00 H new ATOM 0 HA TYR A 649 9.758 -6.271 -1.563 1.00 0.00 H new ATOM 0 HB2 TYR A 649 12.004 -5.395 -2.482 1.00 0.00 H new ATOM 0 HB3 TYR A 649 11.165 -5.112 -3.994 1.00 0.00 H new ATOM 0 HD1 TYR A 649 9.075 -4.559 -1.077 1.00 0.00 H new ATOM 0 HD2 TYR A 649 11.973 -2.727 -3.611 1.00 0.00 H new ATOM 0 HE1 TYR A 649 8.383 -2.340 -0.270 1.00 0.00 H new ATOM 0 HE2 TYR A 649 11.278 -0.515 -2.810 1.00 0.00 H new ATOM 0 HH TYR A 649 9.393 -0.037 -0.074 1.00 0.00 H new ATOM 1035 N TYR A 650 8.970 -6.572 -4.766 1.00 0.00 N ATOM 1036 CA TYR A 650 7.870 -6.501 -5.697 1.00 0.00 C ATOM 1037 C TYR A 650 6.760 -7.480 -5.329 1.00 0.00 C ATOM 1038 O TYR A 650 5.577 -7.140 -5.382 1.00 0.00 O ATOM 1039 CB TYR A 650 8.376 -6.828 -7.096 1.00 0.00 C ATOM 1040 CG TYR A 650 9.480 -5.929 -7.609 1.00 0.00 C ATOM 1041 CD1 TYR A 650 9.448 -4.553 -7.414 1.00 0.00 C ATOM 1042 CD2 TYR A 650 10.552 -6.466 -8.310 1.00 0.00 C ATOM 1043 CE1 TYR A 650 10.455 -3.742 -7.904 1.00 0.00 C ATOM 1044 CE2 TYR A 650 11.561 -5.663 -8.798 1.00 0.00 C ATOM 1045 CZ TYR A 650 11.509 -4.303 -8.594 1.00 0.00 C ATOM 1046 OH TYR A 650 12.514 -3.504 -9.089 1.00 0.00 O ATOM 0 H TYR A 650 9.849 -6.885 -5.179 1.00 0.00 H new ATOM 0 HA TYR A 650 7.461 -5.491 -5.661 1.00 0.00 H new ATOM 0 HB2 TYR A 650 8.735 -7.857 -7.104 1.00 0.00 H new ATOM 0 HB3 TYR A 650 7.537 -6.778 -7.790 1.00 0.00 H new ATOM 0 HD1 TYR A 650 8.625 -4.111 -6.872 1.00 0.00 H new ATOM 0 HD2 TYR A 650 10.596 -7.532 -8.476 1.00 0.00 H new ATOM 0 HE1 TYR A 650 10.416 -2.674 -7.747 1.00 0.00 H new ATOM 0 HE2 TYR A 650 12.388 -6.099 -9.338 1.00 0.00 H new ATOM 0 HH TYR A 650 13.178 -4.060 -9.547 1.00 0.00 H new ATOM 1056 N HIS A 651 7.151 -8.688 -4.933 1.00 0.00 N ATOM 1057 CA HIS A 651 6.194 -9.763 -4.704 1.00 0.00 C ATOM 1058 C HIS A 651 5.295 -9.432 -3.519 1.00 0.00 C ATOM 1059 O HIS A 651 4.078 -9.609 -3.578 1.00 0.00 O ATOM 1060 CB HIS A 651 6.926 -11.086 -4.455 1.00 0.00 C ATOM 1061 CG HIS A 651 6.023 -12.286 -4.426 1.00 0.00 C ATOM 1062 ND1 HIS A 651 6.030 -13.254 -5.407 1.00 0.00 N ATOM 1063 CD2 HIS A 651 5.090 -12.677 -3.525 1.00 0.00 C ATOM 1064 CE1 HIS A 651 5.141 -14.184 -5.111 1.00 0.00 C ATOM 1065 NE2 HIS A 651 4.558 -13.859 -3.975 1.00 0.00 N ATOM 0 H HIS A 651 8.123 -8.946 -4.764 1.00 0.00 H new ATOM 0 HA HIS A 651 5.575 -9.867 -5.595 1.00 0.00 H new ATOM 0 HB2 HIS A 651 7.676 -11.227 -5.233 1.00 0.00 H new ATOM 0 HB3 HIS A 651 7.459 -11.022 -3.506 1.00 0.00 H new ATOM 0 HD2 HIS A 651 4.816 -12.155 -2.620 1.00 0.00 H new ATOM 0 HE1 HIS A 651 4.928 -15.063 -5.701 1.00 0.00 H new ATOM 0 HE2 HIS A 651 3.830 -14.398 -3.506 1.00 0.00 H new ATOM 1074 N LEU A 652 5.918 -8.952 -2.450 1.00 0.00 N ATOM 1075 CA LEU A 652 5.213 -8.635 -1.216 1.00 0.00 C ATOM 1076 C LEU A 652 4.099 -7.624 -1.466 1.00 0.00 C ATOM 1077 O LEU A 652 2.957 -7.826 -1.047 1.00 0.00 O ATOM 1078 CB LEU A 652 6.197 -8.070 -0.191 1.00 0.00 C ATOM 1079 CG LEU A 652 7.347 -9.000 0.200 1.00 0.00 C ATOM 1080 CD1 LEU A 652 8.350 -8.262 1.070 1.00 0.00 C ATOM 1081 CD2 LEU A 652 6.822 -10.228 0.925 1.00 0.00 C ATOM 0 H LEU A 652 6.921 -8.772 -2.414 1.00 0.00 H new ATOM 0 HA LEU A 652 4.766 -9.552 -0.832 1.00 0.00 H new ATOM 0 HB2 LEU A 652 6.619 -7.147 -0.589 1.00 0.00 H new ATOM 0 HB3 LEU A 652 5.644 -7.806 0.710 1.00 0.00 H new ATOM 0 HG LEU A 652 7.848 -9.328 -0.711 1.00 0.00 H new ATOM 0 HD11 LEU A 652 9.163 -8.936 1.340 1.00 0.00 H new ATOM 0 HD12 LEU A 652 8.752 -7.411 0.520 1.00 0.00 H new ATOM 0 HD13 LEU A 652 7.856 -7.908 1.975 1.00 0.00 H new ATOM 0 HD21 LEU A 652 7.656 -10.876 1.194 1.00 0.00 H new ATOM 0 HD22 LEU A 652 6.296 -9.920 1.828 1.00 0.00 H new ATOM 0 HD23 LEU A 652 6.137 -10.770 0.273 1.00 0.00 H new ATOM 1093 N LEU A 653 4.447 -6.541 -2.147 1.00 0.00 N ATOM 1094 CA LEU A 653 3.487 -5.497 -2.483 1.00 0.00 C ATOM 1095 C LEU A 653 2.408 -6.006 -3.437 1.00 0.00 C ATOM 1096 O LEU A 653 1.220 -5.797 -3.194 1.00 0.00 O ATOM 1097 CB LEU A 653 4.208 -4.292 -3.086 1.00 0.00 C ATOM 1098 CG LEU A 653 5.064 -3.501 -2.099 1.00 0.00 C ATOM 1099 CD1 LEU A 653 6.268 -2.921 -2.806 1.00 0.00 C ATOM 1100 CD2 LEU A 653 4.251 -2.389 -1.453 1.00 0.00 C ATOM 0 H LEU A 653 5.394 -6.361 -2.480 1.00 0.00 H new ATOM 0 HA LEU A 653 2.991 -5.192 -1.561 1.00 0.00 H new ATOM 0 HB2 LEU A 653 4.843 -4.637 -3.902 1.00 0.00 H new ATOM 0 HB3 LEU A 653 3.466 -3.622 -3.521 1.00 0.00 H new ATOM 0 HG LEU A 653 5.403 -4.179 -1.316 1.00 0.00 H new ATOM 0 HD11 LEU A 653 6.872 -2.359 -2.094 1.00 0.00 H new ATOM 0 HD12 LEU A 653 6.865 -3.728 -3.230 1.00 0.00 H new ATOM 0 HD13 LEU A 653 5.936 -2.257 -3.604 1.00 0.00 H new ATOM 0 HD21 LEU A 653 4.880 -1.838 -0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 653 3.885 -1.711 -2.224 1.00 0.00 H new ATOM 0 HD23 LEU A 653 3.405 -2.820 -0.918 1.00 0.00 H new ATOM 1112 N ALA A 654 2.824 -6.685 -4.506 1.00 0.00 N ATOM 1113 CA ALA A 654 1.891 -7.184 -5.517 1.00 0.00 C ATOM 1114 C ALA A 654 0.818 -8.074 -4.896 1.00 0.00 C ATOM 1115 O ALA A 654 -0.371 -7.934 -5.203 1.00 0.00 O ATOM 1116 CB ALA A 654 2.644 -7.943 -6.600 1.00 0.00 C ATOM 0 H ALA A 654 3.803 -6.903 -4.695 1.00 0.00 H new ATOM 0 HA ALA A 654 1.393 -6.324 -5.965 1.00 0.00 H new ATOM 0 HB1 ALA A 654 1.938 -8.309 -7.346 1.00 0.00 H new ATOM 0 HB2 ALA A 654 3.364 -7.278 -7.077 1.00 0.00 H new ATOM 0 HB3 ALA A 654 3.170 -8.787 -6.154 1.00 0.00 H new ATOM 1122 N GLU A 655 1.247 -8.977 -4.020 1.00 0.00 N ATOM 1123 CA GLU A 655 0.324 -9.871 -3.313 1.00 0.00 C ATOM 1124 C GLU A 655 -0.718 -9.069 -2.541 1.00 0.00 C ATOM 1125 O GLU A 655 -1.911 -9.378 -2.581 1.00 0.00 O ATOM 1126 CB GLU A 655 1.080 -10.804 -2.349 1.00 0.00 C ATOM 1127 CG GLU A 655 0.224 -11.320 -1.201 1.00 0.00 C ATOM 1128 CD GLU A 655 0.995 -12.211 -0.253 1.00 0.00 C ATOM 1129 OE1 GLU A 655 1.591 -11.682 0.707 1.00 0.00 O ATOM 1130 OE2 GLU A 655 1.006 -13.441 -0.461 1.00 0.00 O ATOM 0 H GLU A 655 2.229 -9.113 -3.779 1.00 0.00 H new ATOM 0 HA GLU A 655 -0.180 -10.482 -4.063 1.00 0.00 H new ATOM 0 HB2 GLU A 655 1.470 -11.653 -2.910 1.00 0.00 H new ATOM 0 HB3 GLU A 655 1.938 -10.271 -1.940 1.00 0.00 H new ATOM 0 HG2 GLU A 655 -0.183 -10.474 -0.648 1.00 0.00 H new ATOM 0 HG3 GLU A 655 -0.623 -11.874 -1.605 1.00 0.00 H new ATOM 1137 N LYS A 656 -0.256 -8.047 -1.836 1.00 0.00 N ATOM 1138 CA LYS A 656 -1.132 -7.223 -1.014 1.00 0.00 C ATOM 1139 C LYS A 656 -2.124 -6.437 -1.866 1.00 0.00 C ATOM 1140 O LYS A 656 -3.302 -6.339 -1.520 1.00 0.00 O ATOM 1141 CB LYS A 656 -0.312 -6.272 -0.142 1.00 0.00 C ATOM 1142 CG LYS A 656 0.644 -6.982 0.804 1.00 0.00 C ATOM 1143 CD LYS A 656 -0.068 -7.993 1.689 1.00 0.00 C ATOM 1144 CE LYS A 656 0.900 -8.680 2.642 1.00 0.00 C ATOM 1145 NZ LYS A 656 1.967 -9.428 1.923 1.00 0.00 N ATOM 0 H LYS A 656 0.725 -7.767 -1.816 1.00 0.00 H new ATOM 0 HA LYS A 656 -1.702 -7.891 -0.368 1.00 0.00 H new ATOM 0 HB2 LYS A 656 0.258 -5.603 -0.786 1.00 0.00 H new ATOM 0 HB3 LYS A 656 -0.992 -5.651 0.441 1.00 0.00 H new ATOM 0 HG2 LYS A 656 1.416 -7.489 0.225 1.00 0.00 H new ATOM 0 HG3 LYS A 656 1.147 -6.245 1.430 1.00 0.00 H new ATOM 0 HD2 LYS A 656 -0.849 -7.491 2.261 1.00 0.00 H new ATOM 0 HD3 LYS A 656 -0.559 -8.741 1.066 1.00 0.00 H new ATOM 0 HE2 LYS A 656 1.357 -7.934 3.292 1.00 0.00 H new ATOM 0 HE3 LYS A 656 0.348 -9.366 3.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 656 2.667 -9.779 2.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 656 1.546 -10.232 1.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 656 2.435 -8.796 1.242 1.00 0.00 H new ATOM 1159 N ILE A 657 -1.652 -5.894 -2.982 1.00 0.00 N ATOM 1160 CA ILE A 657 -2.499 -5.091 -3.858 1.00 0.00 C ATOM 1161 C ILE A 657 -3.662 -5.921 -4.390 1.00 0.00 C ATOM 1162 O ILE A 657 -4.822 -5.513 -4.302 1.00 0.00 O ATOM 1163 CB ILE A 657 -1.694 -4.508 -5.046 1.00 0.00 C ATOM 1164 CG1 ILE A 657 -0.601 -3.564 -4.535 1.00 0.00 C ATOM 1165 CG2 ILE A 657 -2.619 -3.780 -6.013 1.00 0.00 C ATOM 1166 CD1 ILE A 657 0.295 -3.014 -5.627 1.00 0.00 C ATOM 0 H ILE A 657 -0.689 -5.994 -3.302 1.00 0.00 H new ATOM 0 HA ILE A 657 -2.888 -4.264 -3.264 1.00 0.00 H new ATOM 0 HB ILE A 657 -1.220 -5.331 -5.580 1.00 0.00 H new ATOM 0 HG12 ILE A 657 -1.070 -2.732 -4.010 1.00 0.00 H new ATOM 0 HG13 ILE A 657 0.013 -4.095 -3.808 1.00 0.00 H new ATOM 0 HG21 ILE A 657 -2.036 -3.377 -6.841 1.00 0.00 H new ATOM 0 HG22 ILE A 657 -3.363 -4.477 -6.399 1.00 0.00 H new ATOM 0 HG23 ILE A 657 -3.121 -2.964 -5.492 1.00 0.00 H new ATOM 0 HD11 ILE A 657 1.043 -2.355 -5.186 1.00 0.00 H new ATOM 0 HD12 ILE A 657 0.793 -3.838 -6.138 1.00 0.00 H new ATOM 0 HD13 ILE A 657 -0.306 -2.454 -6.343 1.00 0.00 H new ATOM 1178 N TYR A 658 -3.348 -7.097 -4.921 1.00 0.00 N ATOM 1179 CA TYR A 658 -4.378 -7.994 -5.437 1.00 0.00 C ATOM 1180 C TYR A 658 -5.275 -8.464 -4.291 1.00 0.00 C ATOM 1181 O TYR A 658 -6.486 -8.598 -4.459 1.00 0.00 O ATOM 1182 CB TYR A 658 -3.768 -9.192 -6.196 1.00 0.00 C ATOM 1183 CG TYR A 658 -4.733 -9.876 -7.153 1.00 0.00 C ATOM 1184 CD1 TYR A 658 -5.561 -9.134 -7.994 1.00 0.00 C ATOM 1185 CD2 TYR A 658 -4.813 -11.266 -7.225 1.00 0.00 C ATOM 1186 CE1 TYR A 658 -6.437 -9.754 -8.864 1.00 0.00 C ATOM 1187 CE2 TYR A 658 -5.686 -11.887 -8.096 1.00 0.00 C ATOM 1188 CZ TYR A 658 -6.496 -11.130 -8.911 1.00 0.00 C ATOM 1189 OH TYR A 658 -7.367 -11.752 -9.776 1.00 0.00 O ATOM 0 H TYR A 658 -2.395 -7.451 -5.006 1.00 0.00 H new ATOM 0 HA TYR A 658 -4.983 -7.442 -6.156 1.00 0.00 H new ATOM 0 HB2 TYR A 658 -2.899 -8.849 -6.757 1.00 0.00 H new ATOM 0 HB3 TYR A 658 -3.411 -9.924 -5.472 1.00 0.00 H new ATOM 0 HD1 TYR A 658 -5.517 -8.055 -7.965 1.00 0.00 H new ATOM 0 HD2 TYR A 658 -4.181 -11.868 -6.588 1.00 0.00 H new ATOM 0 HE1 TYR A 658 -7.073 -9.162 -9.505 1.00 0.00 H new ATOM 0 HE2 TYR A 658 -5.733 -12.965 -8.138 1.00 0.00 H new ATOM 0 HH TYR A 658 -7.281 -12.724 -9.684 1.00 0.00 H new ATOM 1199 N LYS A 659 -4.674 -8.708 -3.122 1.00 0.00 N ATOM 1200 CA LYS A 659 -5.409 -9.142 -1.949 1.00 0.00 C ATOM 1201 C LYS A 659 -6.497 -8.133 -1.586 1.00 0.00 C ATOM 1202 O LYS A 659 -7.653 -8.499 -1.383 1.00 0.00 O ATOM 1203 CB LYS A 659 -4.442 -9.314 -0.778 1.00 0.00 C ATOM 1204 CG LYS A 659 -4.972 -10.204 0.324 1.00 0.00 C ATOM 1205 CD LYS A 659 -5.093 -11.655 -0.123 1.00 0.00 C ATOM 1206 CE LYS A 659 -3.735 -12.336 -0.266 1.00 0.00 C ATOM 1207 NZ LYS A 659 -3.163 -12.192 -1.631 1.00 0.00 N ATOM 0 H LYS A 659 -3.670 -8.608 -2.971 1.00 0.00 H new ATOM 0 HA LYS A 659 -5.890 -10.095 -2.169 1.00 0.00 H new ATOM 0 HB2 LYS A 659 -3.506 -9.730 -1.150 1.00 0.00 H new ATOM 0 HB3 LYS A 659 -4.212 -8.333 -0.362 1.00 0.00 H new ATOM 0 HG2 LYS A 659 -4.310 -10.145 1.188 1.00 0.00 H new ATOM 0 HG3 LYS A 659 -5.948 -9.841 0.645 1.00 0.00 H new ATOM 0 HD2 LYS A 659 -5.698 -12.205 0.598 1.00 0.00 H new ATOM 0 HD3 LYS A 659 -5.619 -11.696 -1.077 1.00 0.00 H new ATOM 0 HE2 LYS A 659 -3.042 -11.912 0.461 1.00 0.00 H new ATOM 0 HE3 LYS A 659 -3.837 -13.395 -0.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 659 -2.583 -13.026 -1.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 659 -3.934 -12.111 -2.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 659 -2.571 -11.338 -1.671 1.00 0.00 H new ATOM 1221 N ILE A 660 -6.119 -6.859 -1.519 1.00 0.00 N ATOM 1222 CA ILE A 660 -7.070 -5.789 -1.231 1.00 0.00 C ATOM 1223 C ILE A 660 -8.140 -5.696 -2.315 1.00 0.00 C ATOM 1224 O ILE A 660 -9.315 -5.484 -2.014 1.00 0.00 O ATOM 1225 CB ILE A 660 -6.358 -4.425 -1.019 1.00 0.00 C ATOM 1226 CG1 ILE A 660 -6.183 -4.170 0.475 1.00 0.00 C ATOM 1227 CG2 ILE A 660 -7.116 -3.262 -1.661 1.00 0.00 C ATOM 1228 CD1 ILE A 660 -5.309 -2.977 0.787 1.00 0.00 C ATOM 0 H ILE A 660 -5.160 -6.542 -1.660 1.00 0.00 H new ATOM 0 HA ILE A 660 -7.567 -6.040 -0.294 1.00 0.00 H new ATOM 0 HB ILE A 660 -5.386 -4.482 -1.509 1.00 0.00 H new ATOM 0 HG12 ILE A 660 -7.164 -4.020 0.927 1.00 0.00 H new ATOM 0 HG13 ILE A 660 -5.751 -5.057 0.938 1.00 0.00 H new ATOM 0 HG21 ILE A 660 -6.575 -2.333 -1.483 1.00 0.00 H new ATOM 0 HG22 ILE A 660 -7.202 -3.432 -2.734 1.00 0.00 H new ATOM 0 HG23 ILE A 660 -8.112 -3.191 -1.224 1.00 0.00 H new ATOM 0 HD11 ILE A 660 -5.230 -2.857 1.867 1.00 0.00 H new ATOM 0 HD12 ILE A 660 -4.316 -3.133 0.365 1.00 0.00 H new ATOM 0 HD13 ILE A 660 -5.750 -2.079 0.354 1.00 0.00 H new ATOM 1240 N GLN A 661 -7.744 -5.882 -3.571 1.00 0.00 N ATOM 1241 CA GLN A 661 -8.702 -5.834 -4.680 1.00 0.00 C ATOM 1242 C GLN A 661 -9.707 -6.974 -4.542 1.00 0.00 C ATOM 1243 O GLN A 661 -10.899 -6.809 -4.806 1.00 0.00 O ATOM 1244 CB GLN A 661 -8.015 -5.886 -6.057 1.00 0.00 C ATOM 1245 CG GLN A 661 -7.183 -4.643 -6.379 1.00 0.00 C ATOM 1246 CD GLN A 661 -6.664 -4.637 -7.802 1.00 0.00 C ATOM 1247 OE1 GLN A 661 -6.398 -5.685 -8.390 1.00 0.00 O ATOM 1248 NE2 GLN A 661 -6.516 -3.449 -8.366 1.00 0.00 N ATOM 0 H GLN A 661 -6.780 -6.065 -3.848 1.00 0.00 H new ATOM 0 HA GLN A 661 -9.221 -4.877 -4.624 1.00 0.00 H new ATOM 0 HB2 GLN A 661 -7.370 -6.764 -6.098 1.00 0.00 H new ATOM 0 HB3 GLN A 661 -8.775 -6.012 -6.828 1.00 0.00 H new ATOM 0 HG2 GLN A 661 -7.790 -3.753 -6.215 1.00 0.00 H new ATOM 0 HG3 GLN A 661 -6.341 -4.586 -5.690 1.00 0.00 H new ATOM 0 HE21 GLN A 661 -6.748 -2.604 -7.844 1.00 0.00 H new ATOM 0 HE22 GLN A 661 -6.170 -3.378 -9.323 1.00 0.00 H new ATOM 1257 N LYS A 662 -9.206 -8.122 -4.102 1.00 0.00 N ATOM 1258 CA LYS A 662 -10.029 -9.296 -3.865 1.00 0.00 C ATOM 1259 C LYS A 662 -11.030 -9.016 -2.744 1.00 0.00 C ATOM 1260 O LYS A 662 -12.197 -9.411 -2.818 1.00 0.00 O ATOM 1261 CB LYS A 662 -9.131 -10.483 -3.498 1.00 0.00 C ATOM 1262 CG LYS A 662 -9.879 -11.765 -3.172 1.00 0.00 C ATOM 1263 CD LYS A 662 -8.919 -12.859 -2.729 1.00 0.00 C ATOM 1264 CE LYS A 662 -9.650 -14.143 -2.373 1.00 0.00 C ATOM 1265 NZ LYS A 662 -10.401 -14.700 -3.527 1.00 0.00 N ATOM 0 H LYS A 662 -8.216 -8.263 -3.900 1.00 0.00 H new ATOM 0 HA LYS A 662 -10.585 -9.538 -4.771 1.00 0.00 H new ATOM 0 HB2 LYS A 662 -8.450 -10.676 -4.327 1.00 0.00 H new ATOM 0 HB3 LYS A 662 -8.519 -10.207 -2.640 1.00 0.00 H new ATOM 0 HG2 LYS A 662 -10.608 -11.575 -2.384 1.00 0.00 H new ATOM 0 HG3 LYS A 662 -10.436 -12.098 -4.048 1.00 0.00 H new ATOM 0 HD2 LYS A 662 -8.202 -13.058 -3.526 1.00 0.00 H new ATOM 0 HD3 LYS A 662 -8.349 -12.514 -1.866 1.00 0.00 H new ATOM 0 HE2 LYS A 662 -8.931 -14.882 -2.019 1.00 0.00 H new ATOM 0 HE3 LYS A 662 -10.340 -13.950 -1.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 662 -10.742 -15.654 -3.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 662 -11.212 -14.086 -3.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 662 -9.775 -14.751 -4.356 1.00 0.00 H new ATOM 1279 N GLU A 663 -10.557 -8.323 -1.711 1.00 0.00 N ATOM 1280 CA GLU A 663 -11.395 -7.948 -0.576 1.00 0.00 C ATOM 1281 C GLU A 663 -12.508 -7.000 -1.013 1.00 0.00 C ATOM 1282 O GLU A 663 -13.660 -7.159 -0.610 1.00 0.00 O ATOM 1283 CB GLU A 663 -10.562 -7.279 0.525 1.00 0.00 C ATOM 1284 CG GLU A 663 -9.537 -8.194 1.180 1.00 0.00 C ATOM 1285 CD GLU A 663 -10.165 -9.423 1.796 1.00 0.00 C ATOM 1286 OE1 GLU A 663 -10.683 -9.330 2.929 1.00 0.00 O ATOM 1287 OE2 GLU A 663 -10.150 -10.488 1.150 1.00 0.00 O ATOM 0 H GLU A 663 -9.590 -8.008 -1.637 1.00 0.00 H new ATOM 0 HA GLU A 663 -11.838 -8.862 -0.181 1.00 0.00 H new ATOM 0 HB2 GLU A 663 -10.045 -6.419 0.100 1.00 0.00 H new ATOM 0 HB3 GLU A 663 -11.235 -6.899 1.293 1.00 0.00 H new ATOM 0 HG2 GLU A 663 -8.801 -8.500 0.436 1.00 0.00 H new ATOM 0 HG3 GLU A 663 -9.000 -7.640 1.950 1.00 0.00 H new ATOM 1294 N LEU A 664 -12.149 -6.013 -1.836 1.00 0.00 N ATOM 1295 CA LEU A 664 -13.109 -5.020 -2.318 1.00 0.00 C ATOM 1296 C LEU A 664 -14.292 -5.692 -3.003 1.00 0.00 C ATOM 1297 O LEU A 664 -15.444 -5.390 -2.697 1.00 0.00 O ATOM 1298 CB LEU A 664 -12.448 -4.042 -3.297 1.00 0.00 C ATOM 1299 CG LEU A 664 -11.238 -3.283 -2.760 1.00 0.00 C ATOM 1300 CD1 LEU A 664 -10.595 -2.476 -3.875 1.00 0.00 C ATOM 1301 CD2 LEU A 664 -11.639 -2.374 -1.608 1.00 0.00 C ATOM 0 H LEU A 664 -11.199 -5.881 -2.183 1.00 0.00 H new ATOM 0 HA LEU A 664 -13.465 -4.467 -1.449 1.00 0.00 H new ATOM 0 HB2 LEU A 664 -12.141 -4.596 -4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 664 -13.196 -3.317 -3.617 1.00 0.00 H new ATOM 0 HG LEU A 664 -10.513 -4.005 -2.384 1.00 0.00 H new ATOM 0 HD11 LEU A 664 -9.732 -1.937 -3.483 1.00 0.00 H new ATOM 0 HD12 LEU A 664 -10.273 -3.147 -4.671 1.00 0.00 H new ATOM 0 HD13 LEU A 664 -11.318 -1.763 -4.272 1.00 0.00 H new ATOM 0 HD21 LEU A 664 -10.761 -1.843 -1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 664 -12.380 -1.654 -1.954 1.00 0.00 H new ATOM 0 HD23 LEU A 664 -12.064 -2.973 -0.803 1.00 0.00 H new ATOM 1313 N GLU A 665 -14.001 -6.622 -3.907 1.00 0.00 N ATOM 1314 CA GLU A 665 -15.043 -7.301 -4.663 1.00 0.00 C ATOM 1315 C GLU A 665 -15.934 -8.120 -3.737 1.00 0.00 C ATOM 1316 O GLU A 665 -17.156 -8.143 -3.895 1.00 0.00 O ATOM 1317 CB GLU A 665 -14.429 -8.203 -5.737 1.00 0.00 C ATOM 1318 CG GLU A 665 -13.716 -7.444 -6.844 1.00 0.00 C ATOM 1319 CD GLU A 665 -13.152 -8.365 -7.907 1.00 0.00 C ATOM 1320 OE1 GLU A 665 -13.933 -8.872 -8.741 1.00 0.00 O ATOM 1321 OE2 GLU A 665 -11.925 -8.598 -7.911 1.00 0.00 O ATOM 0 H GLU A 665 -13.052 -6.921 -4.133 1.00 0.00 H new ATOM 0 HA GLU A 665 -15.654 -6.543 -5.152 1.00 0.00 H new ATOM 0 HB2 GLU A 665 -13.723 -8.885 -5.264 1.00 0.00 H new ATOM 0 HB3 GLU A 665 -15.216 -8.814 -6.178 1.00 0.00 H new ATOM 0 HG2 GLU A 665 -14.411 -6.743 -7.306 1.00 0.00 H new ATOM 0 HG3 GLU A 665 -12.908 -6.853 -6.413 1.00 0.00 H new ATOM 1328 N GLU A 666 -15.313 -8.775 -2.762 1.00 0.00 N ATOM 1329 CA GLU A 666 -16.033 -9.653 -1.853 1.00 0.00 C ATOM 1330 C GLU A 666 -17.035 -8.870 -1.007 1.00 0.00 C ATOM 1331 O GLU A 666 -18.194 -9.251 -0.903 1.00 0.00 O ATOM 1332 CB GLU A 666 -15.054 -10.402 -0.948 1.00 0.00 C ATOM 1333 CG GLU A 666 -15.698 -11.539 -0.173 1.00 0.00 C ATOM 1334 CD GLU A 666 -16.241 -12.621 -1.083 1.00 0.00 C ATOM 1335 OE1 GLU A 666 -15.466 -13.525 -1.462 1.00 0.00 O ATOM 1336 OE2 GLU A 666 -17.443 -12.574 -1.430 1.00 0.00 O ATOM 0 H GLU A 666 -14.311 -8.713 -2.582 1.00 0.00 H new ATOM 0 HA GLU A 666 -16.586 -10.376 -2.454 1.00 0.00 H new ATOM 0 HB2 GLU A 666 -14.241 -10.801 -1.555 1.00 0.00 H new ATOM 0 HB3 GLU A 666 -14.610 -9.698 -0.244 1.00 0.00 H new ATOM 0 HG2 GLU A 666 -14.965 -11.973 0.507 1.00 0.00 H new ATOM 0 HG3 GLU A 666 -16.507 -11.144 0.441 1.00 0.00 H new ATOM 1531 N LEU B 845 -4.708 -7.763 4.257 1.00 0.00 N ATOM 1532 CA LEU B 845 -4.795 -6.443 4.856 1.00 0.00 C ATOM 1533 C LEU B 845 -6.153 -6.258 5.528 1.00 0.00 C ATOM 1534 O LEU B 845 -7.173 -6.746 5.032 1.00 0.00 O ATOM 1535 CB LEU B 845 -4.548 -5.360 3.799 1.00 0.00 C ATOM 1536 CG LEU B 845 -3.250 -5.534 3.000 1.00 0.00 C ATOM 1537 CD1 LEU B 845 -3.536 -6.123 1.633 1.00 0.00 C ATOM 1538 CD2 LEU B 845 -2.509 -4.214 2.865 1.00 0.00 C ATOM 0 HA LEU B 845 -4.023 -6.349 5.620 1.00 0.00 H new ATOM 0 HB2 LEU B 845 -5.388 -5.350 3.105 1.00 0.00 H new ATOM 0 HB3 LEU B 845 -4.529 -4.388 4.291 1.00 0.00 H new ATOM 0 HG LEU B 845 -2.611 -6.226 3.548 1.00 0.00 H new ATOM 0 HD11 LEU B 845 -2.602 -6.238 1.084 1.00 0.00 H new ATOM 0 HD12 LEU B 845 -4.011 -7.097 1.749 1.00 0.00 H new ATOM 0 HD13 LEU B 845 -4.201 -5.458 1.082 1.00 0.00 H new ATOM 0 HD21 LEU B 845 -1.593 -4.368 2.294 1.00 0.00 H new ATOM 0 HD22 LEU B 845 -3.142 -3.493 2.348 1.00 0.00 H new ATOM 0 HD23 LEU B 845 -2.260 -3.834 3.856 1.00 0.00 H new ATOM 1550 N PRO B 846 -6.158 -5.575 6.689 1.00 0.00 N ATOM 1551 CA PRO B 846 -7.349 -5.384 7.527 1.00 0.00 C ATOM 1552 C PRO B 846 -8.593 -4.959 6.756 1.00 0.00 C ATOM 1553 O PRO B 846 -8.597 -3.953 6.043 1.00 0.00 O ATOM 1554 CB PRO B 846 -6.922 -4.274 8.485 1.00 0.00 C ATOM 1555 CG PRO B 846 -5.456 -4.460 8.630 1.00 0.00 C ATOM 1556 CD PRO B 846 -4.971 -4.934 7.288 1.00 0.00 C ATOM 0 HA PRO B 846 -7.642 -6.318 8.006 1.00 0.00 H new ATOM 0 HB2 PRO B 846 -7.160 -3.289 8.084 1.00 0.00 H new ATOM 0 HB3 PRO B 846 -7.431 -4.359 9.445 1.00 0.00 H new ATOM 0 HG2 PRO B 846 -4.969 -3.527 8.915 1.00 0.00 H new ATOM 0 HG3 PRO B 846 -5.229 -5.189 9.408 1.00 0.00 H new ATOM 0 HD2 PRO B 846 -4.613 -4.105 6.677 1.00 0.00 H new ATOM 0 HD3 PRO B 846 -4.144 -5.637 7.387 1.00 0.00 H new ATOM 1564 N SER B 847 -9.654 -5.733 6.956 1.00 0.00 N ATOM 1565 CA SER B 847 -10.960 -5.482 6.364 1.00 0.00 C ATOM 1566 C SER B 847 -11.451 -4.074 6.692 1.00 0.00 C ATOM 1567 O SER B 847 -12.100 -3.424 5.872 1.00 0.00 O ATOM 1568 CB SER B 847 -11.952 -6.526 6.877 1.00 0.00 C ATOM 1569 OG SER B 847 -11.833 -6.690 8.281 1.00 0.00 O ATOM 0 H SER B 847 -9.629 -6.566 7.544 1.00 0.00 H new ATOM 0 HA SER B 847 -10.877 -5.558 5.280 1.00 0.00 H new ATOM 0 HB2 SER B 847 -12.968 -6.221 6.627 1.00 0.00 H new ATOM 0 HB3 SER B 847 -11.773 -7.479 6.379 1.00 0.00 H new ATOM 0 HG SER B 847 -12.478 -7.361 8.588 1.00 0.00 H new ATOM 1575 N ASP B 848 -11.132 -3.626 7.903 1.00 0.00 N ATOM 1576 CA ASP B 848 -11.606 -2.340 8.426 1.00 0.00 C ATOM 1577 C ASP B 848 -11.307 -1.178 7.481 1.00 0.00 C ATOM 1578 O ASP B 848 -12.178 -0.345 7.243 1.00 0.00 O ATOM 1579 CB ASP B 848 -10.972 -2.044 9.792 1.00 0.00 C ATOM 1580 CG ASP B 848 -11.411 -0.708 10.355 1.00 0.00 C ATOM 1581 OD1 ASP B 848 -12.562 -0.605 10.830 1.00 0.00 O ATOM 1582 OD2 ASP B 848 -10.609 0.248 10.320 1.00 0.00 O ATOM 0 H ASP B 848 -10.538 -4.141 8.553 1.00 0.00 H new ATOM 0 HA ASP B 848 -12.688 -2.429 8.525 1.00 0.00 H new ATOM 0 HB2 ASP B 848 -11.238 -2.836 10.492 1.00 0.00 H new ATOM 0 HB3 ASP B 848 -9.886 -2.056 9.696 1.00 0.00 H new ATOM 1587 N ILE B 849 -10.090 -1.109 6.944 1.00 0.00 N ATOM 1588 CA ILE B 849 -9.732 -0.009 6.044 1.00 0.00 C ATOM 1589 C ILE B 849 -10.555 -0.079 4.760 1.00 0.00 C ATOM 1590 O ILE B 849 -10.993 0.944 4.231 1.00 0.00 O ATOM 1591 CB ILE B 849 -8.225 0.025 5.691 1.00 0.00 C ATOM 1592 CG1 ILE B 849 -7.371 -0.022 6.966 1.00 0.00 C ATOM 1593 CG2 ILE B 849 -7.910 1.289 4.888 1.00 0.00 C ATOM 1594 CD1 ILE B 849 -7.603 1.140 7.916 1.00 0.00 C ATOM 0 H ILE B 849 -9.346 -1.787 7.111 1.00 0.00 H new ATOM 0 HA ILE B 849 -9.958 0.910 6.584 1.00 0.00 H new ATOM 0 HB ILE B 849 -7.986 -0.850 5.087 1.00 0.00 H new ATOM 0 HG12 ILE B 849 -7.577 -0.954 7.493 1.00 0.00 H new ATOM 0 HG13 ILE B 849 -6.318 -0.041 6.684 1.00 0.00 H new ATOM 0 HG21 ILE B 849 -6.848 1.309 4.642 1.00 0.00 H new ATOM 0 HG22 ILE B 849 -8.496 1.291 3.969 1.00 0.00 H new ATOM 0 HG23 ILE B 849 -8.161 2.169 5.481 1.00 0.00 H new ATOM 0 HD11 ILE B 849 -6.961 1.029 8.790 1.00 0.00 H new ATOM 0 HD12 ILE B 849 -7.369 2.076 7.410 1.00 0.00 H new ATOM 0 HD13 ILE B 849 -8.646 1.149 8.231 1.00 0.00 H new ATOM 1606 N MET B 850 -10.756 -1.292 4.264 1.00 0.00 N ATOM 1607 CA MET B 850 -11.582 -1.509 3.081 1.00 0.00 C ATOM 1608 C MET B 850 -13.017 -1.064 3.351 1.00 0.00 C ATOM 1609 O MET B 850 -13.659 -0.449 2.507 1.00 0.00 O ATOM 1610 CB MET B 850 -11.564 -2.982 2.665 1.00 0.00 C ATOM 1611 CG MET B 850 -10.291 -3.448 1.967 1.00 0.00 C ATOM 1612 SD MET B 850 -8.780 -3.150 2.906 1.00 0.00 S ATOM 1613 CE MET B 850 -8.276 -1.555 2.261 1.00 0.00 C ATOM 0 H MET B 850 -10.358 -2.143 4.662 1.00 0.00 H new ATOM 0 HA MET B 850 -11.170 -0.915 2.266 1.00 0.00 H new ATOM 0 HB2 MET B 850 -11.716 -3.595 3.553 1.00 0.00 H new ATOM 0 HB3 MET B 850 -12.410 -3.165 2.002 1.00 0.00 H new ATOM 0 HG2 MET B 850 -10.373 -4.515 1.761 1.00 0.00 H new ATOM 0 HG3 MET B 850 -10.212 -2.943 1.004 1.00 0.00 H new ATOM 0 HE1 MET B 850 -7.189 -1.480 2.283 1.00 0.00 H new ATOM 0 HE2 MET B 850 -8.626 -1.451 1.234 1.00 0.00 H new ATOM 0 HE3 MET B 850 -8.707 -0.762 2.873 1.00 0.00 H new