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 155:sc= -0.676 (180deg=-1.8!) USER MOD Set 1.2: A 656 LYS NZ :NH3+ 169:sc= 1.21 (180deg=0.668) USER MOD Single : A 594 HIS : no HD1:sc= -0.0371 X(o=-0.037,f=-0.013) USER MOD Single : A 596 THR OG1 : rot 180:sc=-0.00175 USER MOD Single : A 597 GLN :FLIP amide:sc= -0.449 F(o=-1.4,f=-0.45) USER MOD Single : A 601 SER OG : rot 9:sc= -0.252 USER MOD Single : A 602 HIS : no HD1:sc= -0.037 X(o=-0.037,f=0) USER MOD Single : A 605 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 609 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 614 THR OG1 : rot 35:sc= 0.275 USER MOD Single : A 621 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 625 MET CE :methyl -127:sc= -0.101 (180deg=-0.441) USER MOD Single : A 627 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 631 TYR OH : rot 180:sc= 0 USER MOD Single : A 633 LYS NZ :NH3+ 160:sc= -0.0871 (180deg=-0.489) USER MOD Single : A 634 LYS NZ :NH3+ -156:sc= 1.16 (180deg=0.969) USER MOD Single : A 640 TYR OH : rot 180:sc= 0 USER MOD Single : A 642 SER OG : rot 180:sc= 0 USER MOD Single : A 644 ASN :FLIP amide:sc= -0.0819 F(o=-1.1,f=-0.082) USER MOD Single : A 645 SER OG : rot -71:sc= -0.502 USER MOD Single : A 649 TYR OH : rot 31:sc= 1.07 USER MOD Single : A 650 TYR OH : rot -30:sc= -1.39 USER MOD Single : A 651 HIS : no HD1:sc= 0 X(o=0,f=-0.0042) USER MOD Single : A 658 TYR OH : rot 180:sc= 0 USER MOD Single : A 659 LYS NZ :NH3+ 167:sc= -0.0131 (180deg=-0.171) USER MOD Single : A 661 GLN :FLIP amide:sc= -0.0252 F(o=-0.97,f=-0.025) USER MOD Single : A 662 LYS NZ :NH3+ 166:sc= -0.0256 (180deg=-0.197) USER MOD Single : B 847 SER OG : rot 180:sc= 0 USER MOD Single : B 850 MET CE :methyl 151:sc= -1.15 (180deg=-3.13!) USER MOD ----------------------------------------------------------------- ATOM 134 N HIS A 594 20.529 -0.519 -3.447 1.00 0.00 N ATOM 135 CA HIS A 594 20.081 -0.904 -4.790 1.00 0.00 C ATOM 136 C HIS A 594 18.558 -0.799 -4.932 1.00 0.00 C ATOM 137 O HIS A 594 17.944 -1.490 -5.746 1.00 0.00 O ATOM 138 CB HIS A 594 20.572 -2.317 -5.157 1.00 0.00 C ATOM 139 CG HIS A 594 20.088 -3.413 -4.252 1.00 0.00 C ATOM 140 ND1 HIS A 594 19.272 -4.432 -4.685 1.00 0.00 N ATOM 141 CD2 HIS A 594 20.336 -3.666 -2.945 1.00 0.00 C ATOM 142 CE1 HIS A 594 19.039 -5.264 -3.689 1.00 0.00 C ATOM 143 NE2 HIS A 594 19.674 -4.824 -2.620 1.00 0.00 N ATOM 0 HA HIS A 594 20.525 -0.199 -5.493 1.00 0.00 H new ATOM 0 HB2 HIS A 594 20.256 -2.542 -6.176 1.00 0.00 H new ATOM 0 HB3 HIS A 594 21.662 -2.319 -5.154 1.00 0.00 H new ATOM 0 HD2 HIS A 594 20.942 -3.068 -2.281 1.00 0.00 H new ATOM 0 HE1 HIS A 594 18.431 -6.155 -3.740 1.00 0.00 H new ATOM 0 HE2 HIS A 594 19.673 -5.271 -1.703 1.00 0.00 H new ATOM 152 N VAL A 595 17.961 0.053 -4.112 1.00 0.00 N ATOM 153 CA VAL A 595 16.575 0.456 -4.272 1.00 0.00 C ATOM 154 C VAL A 595 16.510 1.964 -4.099 1.00 0.00 C ATOM 155 O VAL A 595 17.066 2.498 -3.139 1.00 0.00 O ATOM 156 CB VAL A 595 15.647 -0.184 -3.210 1.00 0.00 C ATOM 157 CG1 VAL A 595 14.180 0.027 -3.563 1.00 0.00 C ATOM 158 CG2 VAL A 595 15.941 -1.666 -3.028 1.00 0.00 C ATOM 0 H VAL A 595 18.427 0.485 -3.314 1.00 0.00 H new ATOM 0 HA VAL A 595 16.237 0.130 -5.256 1.00 0.00 H new ATOM 0 HB VAL A 595 15.849 0.317 -2.263 1.00 0.00 H new ATOM 0 HG11 VAL A 595 13.552 -0.433 -2.800 1.00 0.00 H new ATOM 0 HG12 VAL A 595 13.968 1.095 -3.612 1.00 0.00 H new ATOM 0 HG13 VAL A 595 13.969 -0.430 -4.530 1.00 0.00 H new ATOM 0 HG21 VAL A 595 15.270 -2.080 -2.275 1.00 0.00 H new ATOM 0 HG22 VAL A 595 15.790 -2.186 -3.974 1.00 0.00 H new ATOM 0 HG23 VAL A 595 16.974 -1.795 -2.704 1.00 0.00 H new ATOM 168 N THR A 596 15.841 2.655 -5.002 1.00 0.00 N ATOM 169 CA THR A 596 15.698 4.094 -4.872 1.00 0.00 C ATOM 170 C THR A 596 14.463 4.431 -4.041 1.00 0.00 C ATOM 171 O THR A 596 13.522 3.638 -3.967 1.00 0.00 O ATOM 172 CB THR A 596 15.643 4.794 -6.256 1.00 0.00 C ATOM 173 OG1 THR A 596 15.353 6.192 -6.105 1.00 0.00 O ATOM 174 CG2 THR A 596 14.607 4.154 -7.167 1.00 0.00 C ATOM 0 H THR A 596 15.393 2.251 -5.824 1.00 0.00 H new ATOM 0 HA THR A 596 16.580 4.472 -4.355 1.00 0.00 H new ATOM 0 HB THR A 596 16.624 4.676 -6.716 1.00 0.00 H new ATOM 0 HG1 THR A 596 15.324 6.617 -6.987 1.00 0.00 H new ATOM 0 HG21 THR A 596 14.597 4.671 -8.127 1.00 0.00 H new ATOM 0 HG22 THR A 596 14.858 3.105 -7.322 1.00 0.00 H new ATOM 0 HG23 THR A 596 13.622 4.227 -6.706 1.00 0.00 H new ATOM 182 N GLN A 597 14.477 5.593 -3.400 1.00 0.00 N ATOM 183 CA GLN A 597 13.359 6.026 -2.573 1.00 0.00 C ATOM 184 C GLN A 597 12.115 6.195 -3.436 1.00 0.00 C ATOM 185 O GLN A 597 11.006 5.844 -3.027 1.00 0.00 O ATOM 186 CB GLN A 597 13.701 7.339 -1.861 1.00 0.00 C ATOM 187 CG GLN A 597 12.649 7.795 -0.859 1.00 0.00 C ATOM 188 CD GLN A 597 12.442 6.805 0.274 1.00 0.00 C ATOM 189 OE1 GLN A 597 11.482 5.908 0.116 1.00 0.00 O flip ATOM 190 NE2 GLN A 597 13.129 6.857 1.292 1.00 0.00 N flip ATOM 0 H GLN A 597 15.253 6.254 -3.438 1.00 0.00 H new ATOM 0 HA GLN A 597 13.162 5.267 -1.815 1.00 0.00 H new ATOM 0 HB2 GLN A 597 14.653 7.222 -1.344 1.00 0.00 H new ATOM 0 HB3 GLN A 597 13.838 8.120 -2.609 1.00 0.00 H new ATOM 0 HG2 GLN A 597 12.944 8.758 -0.443 1.00 0.00 H new ATOM 0 HG3 GLN A 597 11.703 7.948 -1.378 1.00 0.00 H new ATOM 0 HE21 GLN A 597 13.860 7.563 1.378 1.00 0.00 H new ATOM 0 HE22 GLN A 597 12.968 6.194 2.051 1.00 0.00 H new ATOM 199 N ASP A 598 12.330 6.722 -4.637 1.00 0.00 N ATOM 200 CA ASP A 598 11.254 6.938 -5.601 1.00 0.00 C ATOM 201 C ASP A 598 10.534 5.630 -5.915 1.00 0.00 C ATOM 202 O ASP A 598 9.314 5.607 -6.045 1.00 0.00 O ATOM 203 CB ASP A 598 11.792 7.557 -6.891 1.00 0.00 C ATOM 204 CG ASP A 598 10.697 7.830 -7.905 1.00 0.00 C ATOM 205 OD1 ASP A 598 10.059 8.900 -7.826 1.00 0.00 O ATOM 206 OD2 ASP A 598 10.477 6.979 -8.793 1.00 0.00 O ATOM 0 H ASP A 598 13.250 7.011 -4.970 1.00 0.00 H new ATOM 0 HA ASP A 598 10.542 7.631 -5.151 1.00 0.00 H new ATOM 0 HB2 ASP A 598 12.306 8.489 -6.656 1.00 0.00 H new ATOM 0 HB3 ASP A 598 12.531 6.887 -7.331 1.00 0.00 H new ATOM 211 N LEU A 599 11.297 4.546 -6.038 1.00 0.00 N ATOM 212 CA LEU A 599 10.727 3.226 -6.277 1.00 0.00 C ATOM 213 C LEU A 599 9.726 2.885 -5.182 1.00 0.00 C ATOM 214 O LEU A 599 8.600 2.470 -5.453 1.00 0.00 O ATOM 215 CB LEU A 599 11.837 2.160 -6.314 1.00 0.00 C ATOM 216 CG LEU A 599 11.432 0.830 -6.943 1.00 0.00 C ATOM 217 CD1 LEU A 599 10.991 1.054 -8.377 1.00 0.00 C ATOM 218 CD2 LEU A 599 12.582 -0.164 -6.883 1.00 0.00 C ATOM 0 H LEU A 599 12.315 4.558 -5.975 1.00 0.00 H new ATOM 0 HA LEU A 599 10.217 3.238 -7.240 1.00 0.00 H new ATOM 0 HB2 LEU A 599 12.687 2.561 -6.865 1.00 0.00 H new ATOM 0 HB3 LEU A 599 12.176 1.975 -5.295 1.00 0.00 H new ATOM 0 HG LEU A 599 10.598 0.412 -6.379 1.00 0.00 H new ATOM 0 HD11 LEU A 599 10.703 0.102 -8.822 1.00 0.00 H new ATOM 0 HD12 LEU A 599 10.140 1.735 -8.394 1.00 0.00 H new ATOM 0 HD13 LEU A 599 11.813 1.487 -8.947 1.00 0.00 H new ATOM 0 HD21 LEU A 599 12.273 -1.106 -7.336 1.00 0.00 H new ATOM 0 HD22 LEU A 599 13.438 0.237 -7.426 1.00 0.00 H new ATOM 0 HD23 LEU A 599 12.860 -0.336 -5.843 1.00 0.00 H new ATOM 230 N ARG A 600 10.149 3.109 -3.948 1.00 0.00 N ATOM 231 CA ARG A 600 9.347 2.789 -2.775 1.00 0.00 C ATOM 232 C ARG A 600 8.084 3.646 -2.733 1.00 0.00 C ATOM 233 O ARG A 600 6.982 3.134 -2.555 1.00 0.00 O ATOM 234 CB ARG A 600 10.177 2.998 -1.507 1.00 0.00 C ATOM 235 CG ARG A 600 11.493 2.234 -1.517 1.00 0.00 C ATOM 236 CD ARG A 600 12.367 2.613 -0.340 1.00 0.00 C ATOM 237 NE ARG A 600 13.771 2.274 -0.579 1.00 0.00 N ATOM 238 CZ ARG A 600 14.764 2.617 0.238 1.00 0.00 C ATOM 239 NH1 ARG A 600 14.502 3.283 1.355 1.00 0.00 N ATOM 240 NH2 ARG A 600 16.018 2.300 -0.065 1.00 0.00 N ATOM 0 H ARG A 600 11.058 3.518 -3.730 1.00 0.00 H new ATOM 0 HA ARG A 600 9.044 1.744 -2.833 1.00 0.00 H new ATOM 0 HB2 ARG A 600 10.383 4.062 -1.387 1.00 0.00 H new ATOM 0 HB3 ARG A 600 9.591 2.687 -0.642 1.00 0.00 H new ATOM 0 HG2 ARG A 600 11.293 1.163 -1.492 1.00 0.00 H new ATOM 0 HG3 ARG A 600 12.025 2.437 -2.446 1.00 0.00 H new ATOM 0 HD2 ARG A 600 12.278 3.683 -0.150 1.00 0.00 H new ATOM 0 HD3 ARG A 600 12.016 2.100 0.555 1.00 0.00 H new ATOM 0 HE ARG A 600 14.001 1.745 -1.420 1.00 0.00 H new ATOM 0 HH11 ARG A 600 13.540 3.532 1.587 1.00 0.00 H new ATOM 0 HH12 ARG A 600 15.262 3.546 1.982 1.00 0.00 H new ATOM 0 HH21 ARG A 600 16.222 1.792 -0.926 1.00 0.00 H new ATOM 0 HH22 ARG A 600 16.777 2.564 0.563 1.00 0.00 H new ATOM 254 N SER A 601 8.246 4.952 -2.930 1.00 0.00 N ATOM 255 CA SER A 601 7.116 5.869 -2.916 1.00 0.00 C ATOM 256 C SER A 601 6.162 5.560 -4.068 1.00 0.00 C ATOM 257 O SER A 601 4.941 5.634 -3.912 1.00 0.00 O ATOM 258 CB SER A 601 7.600 7.321 -2.973 1.00 0.00 C ATOM 259 OG SER A 601 8.558 7.505 -4.002 1.00 0.00 O ATOM 0 H SER A 601 9.148 5.396 -3.101 1.00 0.00 H new ATOM 0 HA SER A 601 6.571 5.734 -1.982 1.00 0.00 H new ATOM 0 HB2 SER A 601 6.751 7.983 -3.141 1.00 0.00 H new ATOM 0 HB3 SER A 601 8.036 7.599 -2.013 1.00 0.00 H new ATOM 0 HG SER A 601 8.610 6.694 -4.550 1.00 0.00 H new ATOM 265 N HIS A 602 6.731 5.214 -5.222 1.00 0.00 N ATOM 266 CA HIS A 602 5.945 4.823 -6.390 1.00 0.00 C ATOM 267 C HIS A 602 5.018 3.665 -6.022 1.00 0.00 C ATOM 268 O HIS A 602 3.830 3.671 -6.347 1.00 0.00 O ATOM 269 CB HIS A 602 6.873 4.403 -7.540 1.00 0.00 C ATOM 270 CG HIS A 602 6.244 4.476 -8.900 1.00 0.00 C ATOM 271 ND1 HIS A 602 6.904 4.980 -10.001 1.00 0.00 N ATOM 272 CD2 HIS A 602 5.022 4.093 -9.343 1.00 0.00 C ATOM 273 CE1 HIS A 602 6.119 4.903 -11.057 1.00 0.00 C ATOM 274 NE2 HIS A 602 4.971 4.369 -10.687 1.00 0.00 N ATOM 0 H HIS A 602 7.740 5.197 -5.373 1.00 0.00 H new ATOM 0 HA HIS A 602 5.348 5.675 -6.715 1.00 0.00 H new ATOM 0 HB2 HIS A 602 7.758 5.039 -7.528 1.00 0.00 H new ATOM 0 HB3 HIS A 602 7.211 3.382 -7.364 1.00 0.00 H new ATOM 0 HD2 HIS A 602 4.235 3.653 -8.749 1.00 0.00 H new ATOM 0 HE1 HIS A 602 6.373 5.223 -12.057 1.00 0.00 H new ATOM 0 HE2 HIS A 602 4.175 4.190 -11.299 1.00 0.00 H new ATOM 283 N LEU A 603 5.578 2.686 -5.324 1.00 0.00 N ATOM 284 CA LEU A 603 4.831 1.526 -4.854 1.00 0.00 C ATOM 285 C LEU A 603 3.764 1.933 -3.839 1.00 0.00 C ATOM 286 O LEU A 603 2.651 1.403 -3.848 1.00 0.00 O ATOM 287 CB LEU A 603 5.786 0.497 -4.250 1.00 0.00 C ATOM 288 CG LEU A 603 6.853 -0.026 -5.219 1.00 0.00 C ATOM 289 CD1 LEU A 603 8.001 -0.674 -4.466 1.00 0.00 C ATOM 290 CD2 LEU A 603 6.243 -1.015 -6.199 1.00 0.00 C ATOM 0 H LEU A 603 6.565 2.673 -5.067 1.00 0.00 H new ATOM 0 HA LEU A 603 4.323 1.076 -5.707 1.00 0.00 H new ATOM 0 HB2 LEU A 603 6.283 0.943 -3.389 1.00 0.00 H new ATOM 0 HB3 LEU A 603 5.204 -0.347 -3.880 1.00 0.00 H new ATOM 0 HG LEU A 603 7.247 0.824 -5.777 1.00 0.00 H new ATOM 0 HD11 LEU A 603 8.744 -1.036 -5.177 1.00 0.00 H new ATOM 0 HD12 LEU A 603 8.461 0.059 -3.803 1.00 0.00 H new ATOM 0 HD13 LEU A 603 7.624 -1.510 -3.877 1.00 0.00 H new ATOM 0 HD21 LEU A 603 7.014 -1.376 -6.879 1.00 0.00 H new ATOM 0 HD22 LEU A 603 5.820 -1.857 -5.651 1.00 0.00 H new ATOM 0 HD23 LEU A 603 5.457 -0.522 -6.771 1.00 0.00 H new ATOM 302 N VAL A 604 4.106 2.890 -2.983 1.00 0.00 N ATOM 303 CA VAL A 604 3.191 3.358 -1.948 1.00 0.00 C ATOM 304 C VAL A 604 1.964 4.013 -2.581 1.00 0.00 C ATOM 305 O VAL A 604 0.831 3.775 -2.158 1.00 0.00 O ATOM 306 CB VAL A 604 3.881 4.361 -0.992 1.00 0.00 C ATOM 307 CG1 VAL A 604 2.869 5.033 -0.078 1.00 0.00 C ATOM 308 CG2 VAL A 604 4.944 3.663 -0.161 1.00 0.00 C ATOM 0 H VAL A 604 5.012 3.358 -2.986 1.00 0.00 H new ATOM 0 HA VAL A 604 2.881 2.490 -1.366 1.00 0.00 H new ATOM 0 HB VAL A 604 4.356 5.128 -1.604 1.00 0.00 H new ATOM 0 HG11 VAL A 604 3.383 5.732 0.582 1.00 0.00 H new ATOM 0 HG12 VAL A 604 2.138 5.573 -0.680 1.00 0.00 H new ATOM 0 HG13 VAL A 604 2.360 4.277 0.520 1.00 0.00 H new ATOM 0 HG21 VAL A 604 5.418 4.385 0.505 1.00 0.00 H new ATOM 0 HG22 VAL A 604 4.482 2.872 0.430 1.00 0.00 H new ATOM 0 HG23 VAL A 604 5.696 3.230 -0.821 1.00 0.00 H new ATOM 318 N HIS A 605 2.195 4.820 -3.613 1.00 0.00 N ATOM 319 CA HIS A 605 1.102 5.496 -4.315 1.00 0.00 C ATOM 320 C HIS A 605 0.162 4.476 -4.934 1.00 0.00 C ATOM 321 O HIS A 605 -1.053 4.641 -4.899 1.00 0.00 O ATOM 322 CB HIS A 605 1.623 6.435 -5.409 1.00 0.00 C ATOM 323 CG HIS A 605 2.554 7.492 -4.904 1.00 0.00 C ATOM 324 ND1 HIS A 605 3.694 7.879 -5.574 1.00 0.00 N ATOM 325 CD2 HIS A 605 2.508 8.245 -3.781 1.00 0.00 C ATOM 326 CE1 HIS A 605 4.308 8.819 -4.884 1.00 0.00 C ATOM 327 NE2 HIS A 605 3.610 9.059 -3.792 1.00 0.00 N ATOM 0 H HIS A 605 3.124 5.023 -3.982 1.00 0.00 H new ATOM 0 HA HIS A 605 0.565 6.094 -3.578 1.00 0.00 H new ATOM 0 HB2 HIS A 605 2.136 5.844 -6.168 1.00 0.00 H new ATOM 0 HB3 HIS A 605 0.775 6.914 -5.898 1.00 0.00 H new ATOM 0 HD2 HIS A 605 1.745 8.211 -3.018 1.00 0.00 H new ATOM 0 HE1 HIS A 605 5.228 9.310 -5.166 1.00 0.00 H new ATOM 0 HE2 HIS A 605 3.851 9.740 -3.072 1.00 0.00 H new ATOM 336 N LYS A 606 0.734 3.416 -5.492 1.00 0.00 N ATOM 337 CA LYS A 606 -0.057 2.353 -6.097 1.00 0.00 C ATOM 338 C LYS A 606 -0.911 1.647 -5.049 1.00 0.00 C ATOM 339 O LYS A 606 -2.051 1.281 -5.320 1.00 0.00 O ATOM 340 CB LYS A 606 0.838 1.348 -6.825 1.00 0.00 C ATOM 341 CG LYS A 606 1.606 1.957 -7.988 1.00 0.00 C ATOM 342 CD LYS A 606 2.216 0.890 -8.884 1.00 0.00 C ATOM 343 CE LYS A 606 3.172 -0.013 -8.125 1.00 0.00 C ATOM 344 NZ LYS A 606 3.731 -1.078 -8.995 1.00 0.00 N ATOM 0 H LYS A 606 1.742 3.270 -5.538 1.00 0.00 H new ATOM 0 HA LYS A 606 -0.722 2.809 -6.830 1.00 0.00 H new ATOM 0 HB2 LYS A 606 1.546 0.922 -6.115 1.00 0.00 H new ATOM 0 HB3 LYS A 606 0.224 0.527 -7.195 1.00 0.00 H new ATOM 0 HG2 LYS A 606 0.937 2.586 -8.576 1.00 0.00 H new ATOM 0 HG3 LYS A 606 2.395 2.603 -7.604 1.00 0.00 H new ATOM 0 HD2 LYS A 606 1.421 0.288 -9.324 1.00 0.00 H new ATOM 0 HD3 LYS A 606 2.746 1.368 -9.708 1.00 0.00 H new ATOM 0 HE2 LYS A 606 3.985 0.584 -7.712 1.00 0.00 H new ATOM 0 HE3 LYS A 606 2.651 -0.468 -7.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 4.379 -1.674 -8.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 2.957 -1.663 -9.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 4.250 -0.644 -9.785 1.00 0.00 H new ATOM 358 N LEU A 607 -0.349 1.442 -3.861 1.00 0.00 N ATOM 359 CA LEU A 607 -1.087 0.834 -2.758 1.00 0.00 C ATOM 360 C LEU A 607 -2.241 1.747 -2.333 1.00 0.00 C ATOM 361 O LEU A 607 -3.360 1.287 -2.112 1.00 0.00 O ATOM 362 CB LEU A 607 -0.142 0.549 -1.580 1.00 0.00 C ATOM 363 CG LEU A 607 -0.667 -0.431 -0.521 1.00 0.00 C ATOM 364 CD1 LEU A 607 0.489 -1.009 0.273 1.00 0.00 C ATOM 365 CD2 LEU A 607 -1.645 0.253 0.422 1.00 0.00 C ATOM 0 H LEU A 607 0.615 1.688 -3.637 1.00 0.00 H new ATOM 0 HA LEU A 607 -1.508 -0.115 -3.089 1.00 0.00 H new ATOM 0 HB2 LEU A 607 0.794 0.157 -1.977 1.00 0.00 H new ATOM 0 HB3 LEU A 607 0.091 1.494 -1.089 1.00 0.00 H new ATOM 0 HG LEU A 607 -1.191 -1.235 -1.037 1.00 0.00 H new ATOM 0 HD11 LEU A 607 0.106 -1.703 1.021 1.00 0.00 H new ATOM 0 HD12 LEU A 607 1.164 -1.538 -0.400 1.00 0.00 H new ATOM 0 HD13 LEU A 607 1.029 -0.202 0.769 1.00 0.00 H new ATOM 0 HD21 LEU A 607 -2.000 -0.465 1.161 1.00 0.00 H new ATOM 0 HD22 LEU A 607 -1.145 1.078 0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 607 -2.492 0.637 -0.147 1.00 0.00 H new ATOM 377 N VAL A 608 -1.963 3.046 -2.239 1.00 0.00 N ATOM 378 CA VAL A 608 -2.998 4.044 -1.969 1.00 0.00 C ATOM 379 C VAL A 608 -4.067 3.994 -3.059 1.00 0.00 C ATOM 380 O VAL A 608 -5.267 3.979 -2.783 1.00 0.00 O ATOM 381 CB VAL A 608 -2.389 5.466 -1.912 1.00 0.00 C ATOM 382 CG1 VAL A 608 -3.471 6.532 -1.801 1.00 0.00 C ATOM 383 CG2 VAL A 608 -1.416 5.580 -0.751 1.00 0.00 C ATOM 0 H VAL A 608 -1.026 3.434 -2.346 1.00 0.00 H new ATOM 0 HA VAL A 608 -3.448 3.816 -1.003 1.00 0.00 H new ATOM 0 HB VAL A 608 -1.849 5.633 -2.844 1.00 0.00 H new ATOM 0 HG11 VAL A 608 -3.008 7.518 -1.763 1.00 0.00 H new ATOM 0 HG12 VAL A 608 -4.130 6.473 -2.667 1.00 0.00 H new ATOM 0 HG13 VAL A 608 -4.051 6.369 -0.893 1.00 0.00 H new ATOM 0 HG21 VAL A 608 -0.997 6.586 -0.725 1.00 0.00 H new ATOM 0 HG22 VAL A 608 -1.940 5.381 0.184 1.00 0.00 H new ATOM 0 HG23 VAL A 608 -0.612 4.855 -0.878 1.00 0.00 H new ATOM 393 N GLN A 609 -3.597 3.948 -4.296 1.00 0.00 N ATOM 394 CA GLN A 609 -4.449 3.839 -5.472 1.00 0.00 C ATOM 395 C GLN A 609 -5.313 2.579 -5.407 1.00 0.00 C ATOM 396 O GLN A 609 -6.475 2.587 -5.817 1.00 0.00 O ATOM 397 CB GLN A 609 -3.571 3.835 -6.725 1.00 0.00 C ATOM 398 CG GLN A 609 -4.334 3.799 -8.035 1.00 0.00 C ATOM 399 CD GLN A 609 -3.407 3.918 -9.229 1.00 0.00 C ATOM 400 OE1 GLN A 609 -2.911 2.914 -9.746 1.00 0.00 O ATOM 401 NE2 GLN A 609 -3.161 5.142 -9.669 1.00 0.00 N ATOM 0 H GLN A 609 -2.601 3.986 -4.515 1.00 0.00 H new ATOM 0 HA GLN A 609 -5.124 4.694 -5.507 1.00 0.00 H new ATOM 0 HB2 GLN A 609 -2.940 4.724 -6.712 1.00 0.00 H new ATOM 0 HB3 GLN A 609 -2.907 2.972 -6.684 1.00 0.00 H new ATOM 0 HG2 GLN A 609 -4.896 2.868 -8.103 1.00 0.00 H new ATOM 0 HG3 GLN A 609 -5.060 4.612 -8.056 1.00 0.00 H new ATOM 0 HE21 GLN A 609 -3.593 5.945 -9.211 1.00 0.00 H new ATOM 0 HE22 GLN A 609 -2.540 5.282 -10.466 1.00 0.00 H new ATOM 410 N ALA A 610 -4.731 1.497 -4.901 1.00 0.00 N ATOM 411 CA ALA A 610 -5.440 0.238 -4.745 1.00 0.00 C ATOM 412 C ALA A 610 -6.634 0.395 -3.807 1.00 0.00 C ATOM 413 O ALA A 610 -7.696 -0.174 -4.052 1.00 0.00 O ATOM 414 CB ALA A 610 -4.498 -0.844 -4.239 1.00 0.00 C ATOM 0 H ALA A 610 -3.760 1.470 -4.590 1.00 0.00 H new ATOM 0 HA ALA A 610 -5.818 -0.062 -5.722 1.00 0.00 H new ATOM 0 HB1 ALA A 610 -5.045 -1.780 -4.128 1.00 0.00 H new ATOM 0 HB2 ALA A 610 -3.685 -0.981 -4.952 1.00 0.00 H new ATOM 0 HB3 ALA A 610 -4.088 -0.547 -3.274 1.00 0.00 H new ATOM 420 N ILE A 611 -6.463 1.174 -2.741 1.00 0.00 N ATOM 421 CA ILE A 611 -7.543 1.381 -1.781 1.00 0.00 C ATOM 422 C ILE A 611 -8.551 2.396 -2.330 1.00 0.00 C ATOM 423 O ILE A 611 -9.753 2.267 -2.111 1.00 0.00 O ATOM 424 CB ILE A 611 -7.015 1.877 -0.372 1.00 0.00 C ATOM 425 CG1 ILE A 611 -6.077 0.852 0.304 1.00 0.00 C ATOM 426 CG2 ILE A 611 -8.172 2.223 0.570 1.00 0.00 C ATOM 427 CD1 ILE A 611 -5.083 1.481 1.259 1.00 0.00 C ATOM 0 H ILE A 611 -5.597 1.667 -2.522 1.00 0.00 H new ATOM 0 HA ILE A 611 -8.025 0.414 -1.634 1.00 0.00 H new ATOM 0 HB ILE A 611 -6.436 2.779 -0.568 1.00 0.00 H new ATOM 0 HG12 ILE A 611 -6.679 0.123 0.847 1.00 0.00 H new ATOM 0 HG13 ILE A 611 -5.533 0.306 -0.467 1.00 0.00 H new ATOM 0 HG21 ILE A 611 -7.774 2.560 1.527 1.00 0.00 H new ATOM 0 HG22 ILE A 611 -8.775 3.016 0.129 1.00 0.00 H new ATOM 0 HG23 ILE A 611 -8.791 1.340 0.725 1.00 0.00 H new ATOM 0 HD11 ILE A 611 -4.457 0.703 1.697 1.00 0.00 H new ATOM 0 HD12 ILE A 611 -4.456 2.189 0.717 1.00 0.00 H new ATOM 0 HD13 ILE A 611 -5.620 2.004 2.051 1.00 0.00 H new ATOM 439 N PHE A 612 -8.063 3.389 -3.067 1.00 0.00 N ATOM 440 CA PHE A 612 -8.911 4.464 -3.549 1.00 0.00 C ATOM 441 C PHE A 612 -8.269 5.104 -4.777 1.00 0.00 C ATOM 442 O PHE A 612 -7.318 5.880 -4.657 1.00 0.00 O ATOM 443 CB PHE A 612 -9.121 5.497 -2.434 1.00 0.00 C ATOM 444 CG PHE A 612 -10.304 6.402 -2.646 1.00 0.00 C ATOM 445 CD1 PHE A 612 -11.523 5.894 -3.071 1.00 0.00 C ATOM 446 CD2 PHE A 612 -10.198 7.763 -2.411 1.00 0.00 C ATOM 447 CE1 PHE A 612 -12.610 6.725 -3.260 1.00 0.00 C ATOM 448 CE2 PHE A 612 -11.284 8.599 -2.597 1.00 0.00 C ATOM 449 CZ PHE A 612 -12.490 8.079 -3.022 1.00 0.00 C ATOM 0 H PHE A 612 -7.084 3.468 -3.341 1.00 0.00 H new ATOM 0 HA PHE A 612 -9.886 4.069 -3.834 1.00 0.00 H new ATOM 0 HB2 PHE A 612 -9.244 4.972 -1.487 1.00 0.00 H new ATOM 0 HB3 PHE A 612 -8.222 6.107 -2.346 1.00 0.00 H new ATOM 0 HD1 PHE A 612 -11.623 4.835 -3.257 1.00 0.00 H new ATOM 0 HD2 PHE A 612 -9.257 8.176 -2.079 1.00 0.00 H new ATOM 0 HE1 PHE A 612 -13.552 6.316 -3.593 1.00 0.00 H new ATOM 0 HE2 PHE A 612 -11.188 9.658 -2.410 1.00 0.00 H new ATOM 0 HZ PHE A 612 -13.339 8.731 -3.168 1.00 0.00 H new ATOM 459 N PRO A 613 -8.768 4.778 -5.979 1.00 0.00 N ATOM 460 CA PRO A 613 -8.115 5.187 -7.231 1.00 0.00 C ATOM 461 C PRO A 613 -8.368 6.651 -7.590 1.00 0.00 C ATOM 462 O PRO A 613 -7.503 7.307 -8.169 1.00 0.00 O ATOM 463 CB PRO A 613 -8.739 4.254 -8.275 1.00 0.00 C ATOM 464 CG PRO A 613 -10.083 3.886 -7.724 1.00 0.00 C ATOM 465 CD PRO A 613 -9.998 3.983 -6.215 1.00 0.00 C ATOM 0 HA PRO A 613 -7.030 5.111 -7.162 1.00 0.00 H new ATOM 0 HB2 PRO A 613 -8.833 4.751 -9.241 1.00 0.00 H new ATOM 0 HB3 PRO A 613 -8.122 3.369 -8.430 1.00 0.00 H new ATOM 0 HG2 PRO A 613 -10.852 4.556 -8.109 1.00 0.00 H new ATOM 0 HG3 PRO A 613 -10.359 2.876 -8.028 1.00 0.00 H new ATOM 0 HD2 PRO A 613 -10.877 4.472 -5.796 1.00 0.00 H new ATOM 0 HD3 PRO A 613 -9.932 2.997 -5.754 1.00 0.00 H new ATOM 473 N THR A 614 -9.547 7.154 -7.248 1.00 0.00 N ATOM 474 CA THR A 614 -9.915 8.529 -7.566 1.00 0.00 C ATOM 475 C THR A 614 -9.250 9.523 -6.615 1.00 0.00 C ATOM 476 O THR A 614 -9.563 9.556 -5.422 1.00 0.00 O ATOM 477 CB THR A 614 -11.445 8.713 -7.504 1.00 0.00 C ATOM 478 OG1 THR A 614 -11.943 8.179 -6.273 1.00 0.00 O ATOM 479 CG2 THR A 614 -12.124 8.014 -8.671 1.00 0.00 C ATOM 0 H THR A 614 -10.266 6.630 -6.750 1.00 0.00 H new ATOM 0 HA THR A 614 -9.565 8.728 -8.579 1.00 0.00 H new ATOM 0 HB THR A 614 -11.666 9.779 -7.563 1.00 0.00 H new ATOM 0 HG1 THR A 614 -11.289 8.337 -5.560 1.00 0.00 H new ATOM 0 HG21 THR A 614 -13.202 8.159 -8.604 1.00 0.00 H new ATOM 0 HG22 THR A 614 -11.759 8.433 -9.609 1.00 0.00 H new ATOM 0 HG23 THR A 614 -11.898 6.948 -8.638 1.00 0.00 H new ATOM 487 N PRO A 615 -8.317 10.346 -7.125 1.00 0.00 N ATOM 488 CA PRO A 615 -7.658 11.392 -6.336 1.00 0.00 C ATOM 489 C PRO A 615 -8.566 12.603 -6.159 1.00 0.00 C ATOM 490 O PRO A 615 -8.388 13.634 -6.811 1.00 0.00 O ATOM 491 CB PRO A 615 -6.421 11.765 -7.174 1.00 0.00 C ATOM 492 CG PRO A 615 -6.388 10.771 -8.303 1.00 0.00 C ATOM 493 CD PRO A 615 -7.813 10.337 -8.503 1.00 0.00 C ATOM 0 HA PRO A 615 -7.406 11.055 -5.330 1.00 0.00 H new ATOM 0 HB2 PRO A 615 -6.495 12.785 -7.551 1.00 0.00 H new ATOM 0 HB3 PRO A 615 -5.511 11.711 -6.576 1.00 0.00 H new ATOM 0 HG2 PRO A 615 -5.985 11.222 -9.210 1.00 0.00 H new ATOM 0 HG3 PRO A 615 -5.750 9.921 -8.058 1.00 0.00 H new ATOM 0 HD2 PRO A 615 -8.364 11.023 -9.146 1.00 0.00 H new ATOM 0 HD3 PRO A 615 -7.881 9.349 -8.958 1.00 0.00 H new ATOM 501 N ASP A 616 -9.553 12.456 -5.292 1.00 0.00 N ATOM 502 CA ASP A 616 -10.508 13.526 -5.018 1.00 0.00 C ATOM 503 C ASP A 616 -9.826 14.649 -4.244 1.00 0.00 C ATOM 504 O ASP A 616 -9.237 14.412 -3.190 1.00 0.00 O ATOM 505 CB ASP A 616 -11.697 12.984 -4.212 1.00 0.00 C ATOM 506 CG ASP A 616 -12.768 14.031 -3.993 1.00 0.00 C ATOM 507 OD1 ASP A 616 -12.699 14.757 -2.980 1.00 0.00 O ATOM 508 OD2 ASP A 616 -13.685 14.132 -4.833 1.00 0.00 O ATOM 0 H ASP A 616 -9.718 11.601 -4.760 1.00 0.00 H new ATOM 0 HA ASP A 616 -10.875 13.918 -5.966 1.00 0.00 H new ATOM 0 HB2 ASP A 616 -12.128 12.130 -4.735 1.00 0.00 H new ATOM 0 HB3 ASP A 616 -11.344 12.622 -3.247 1.00 0.00 H new ATOM 513 N PRO A 617 -9.889 15.889 -4.772 1.00 0.00 N ATOM 514 CA PRO A 617 -9.201 17.049 -4.189 1.00 0.00 C ATOM 515 C PRO A 617 -9.598 17.319 -2.739 1.00 0.00 C ATOM 516 O PRO A 617 -8.787 17.813 -1.954 1.00 0.00 O ATOM 517 CB PRO A 617 -9.627 18.230 -5.082 1.00 0.00 C ATOM 518 CG PRO A 617 -10.806 17.743 -5.849 1.00 0.00 C ATOM 519 CD PRO A 617 -10.626 16.257 -5.996 1.00 0.00 C ATOM 0 HA PRO A 617 -8.124 16.884 -4.160 1.00 0.00 H new ATOM 0 HB2 PRO A 617 -9.883 19.103 -4.482 1.00 0.00 H new ATOM 0 HB3 PRO A 617 -8.819 18.528 -5.751 1.00 0.00 H new ATOM 0 HG2 PRO A 617 -11.734 17.973 -5.325 1.00 0.00 H new ATOM 0 HG3 PRO A 617 -10.863 18.227 -6.824 1.00 0.00 H new ATOM 0 HD2 PRO A 617 -11.583 15.739 -6.062 1.00 0.00 H new ATOM 0 HD3 PRO A 617 -10.065 16.006 -6.896 1.00 0.00 H new ATOM 527 N ALA A 618 -10.837 16.992 -2.385 1.00 0.00 N ATOM 528 CA ALA A 618 -11.309 17.196 -1.024 1.00 0.00 C ATOM 529 C ALA A 618 -10.848 16.055 -0.133 1.00 0.00 C ATOM 530 O ALA A 618 -10.326 16.284 0.958 1.00 0.00 O ATOM 531 CB ALA A 618 -12.822 17.320 -0.985 1.00 0.00 C ATOM 0 H ALA A 618 -11.527 16.587 -3.018 1.00 0.00 H new ATOM 0 HA ALA A 618 -10.885 18.128 -0.652 1.00 0.00 H new ATOM 0 HB1 ALA A 618 -13.148 17.472 0.044 1.00 0.00 H new ATOM 0 HB2 ALA A 618 -13.133 18.169 -1.593 1.00 0.00 H new ATOM 0 HB3 ALA A 618 -13.272 16.408 -1.378 1.00 0.00 H new ATOM 537 N ALA A 619 -11.048 14.828 -0.604 1.00 0.00 N ATOM 538 CA ALA A 619 -10.569 13.641 0.100 1.00 0.00 C ATOM 539 C ALA A 619 -9.060 13.698 0.316 1.00 0.00 C ATOM 540 O ALA A 619 -8.545 13.155 1.289 1.00 0.00 O ATOM 541 CB ALA A 619 -10.947 12.382 -0.664 1.00 0.00 C ATOM 0 H ALA A 619 -11.541 14.628 -1.474 1.00 0.00 H new ATOM 0 HA ALA A 619 -11.048 13.616 1.079 1.00 0.00 H new ATOM 0 HB1 ALA A 619 -10.583 11.507 -0.126 1.00 0.00 H new ATOM 0 HB2 ALA A 619 -12.031 12.325 -0.758 1.00 0.00 H new ATOM 0 HB3 ALA A 619 -10.498 12.410 -1.657 1.00 0.00 H new ATOM 547 N LEU A 620 -8.369 14.385 -0.587 1.00 0.00 N ATOM 548 CA LEU A 620 -6.922 14.558 -0.493 1.00 0.00 C ATOM 549 C LEU A 620 -6.576 15.298 0.799 1.00 0.00 C ATOM 550 O LEU A 620 -5.520 15.085 1.395 1.00 0.00 O ATOM 551 CB LEU A 620 -6.404 15.353 -1.701 1.00 0.00 C ATOM 552 CG LEU A 620 -5.182 14.767 -2.425 1.00 0.00 C ATOM 553 CD1 LEU A 620 -4.023 14.548 -1.464 1.00 0.00 C ATOM 554 CD2 LEU A 620 -5.546 13.470 -3.133 1.00 0.00 C ATOM 0 H LEU A 620 -8.791 14.835 -1.399 1.00 0.00 H new ATOM 0 HA LEU A 620 -6.447 13.577 -0.487 1.00 0.00 H new ATOM 0 HB2 LEU A 620 -7.216 15.449 -2.422 1.00 0.00 H new ATOM 0 HB3 LEU A 620 -6.154 16.360 -1.367 1.00 0.00 H new ATOM 0 HG LEU A 620 -4.861 15.490 -3.175 1.00 0.00 H new ATOM 0 HD11 LEU A 620 -3.174 14.133 -2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 620 -3.737 15.500 -1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 620 -4.327 13.855 -0.680 1.00 0.00 H new ATOM 0 HD21 LEU A 620 -4.666 13.072 -3.639 1.00 0.00 H new ATOM 0 HD22 LEU A 620 -5.903 12.744 -2.402 1.00 0.00 H new ATOM 0 HD23 LEU A 620 -6.330 13.663 -3.866 1.00 0.00 H new ATOM 566 N LYS A 621 -7.488 16.164 1.226 1.00 0.00 N ATOM 567 CA LYS A 621 -7.310 16.947 2.441 1.00 0.00 C ATOM 568 C LYS A 621 -8.161 16.391 3.583 1.00 0.00 C ATOM 569 O LYS A 621 -8.363 17.056 4.600 1.00 0.00 O ATOM 570 CB LYS A 621 -7.698 18.405 2.174 1.00 0.00 C ATOM 571 CG LYS A 621 -6.898 19.050 1.055 1.00 0.00 C ATOM 572 CD LYS A 621 -7.453 20.414 0.673 1.00 0.00 C ATOM 573 CE LYS A 621 -8.846 20.302 0.073 1.00 0.00 C ATOM 574 NZ LYS A 621 -9.339 21.604 -0.443 1.00 0.00 N ATOM 0 H LYS A 621 -8.368 16.342 0.741 1.00 0.00 H new ATOM 0 HA LYS A 621 -6.262 16.890 2.735 1.00 0.00 H new ATOM 0 HB2 LYS A 621 -8.758 18.451 1.925 1.00 0.00 H new ATOM 0 HB3 LYS A 621 -7.560 18.983 3.088 1.00 0.00 H new ATOM 0 HG2 LYS A 621 -5.859 19.155 1.366 1.00 0.00 H new ATOM 0 HG3 LYS A 621 -6.905 18.398 0.182 1.00 0.00 H new ATOM 0 HD2 LYS A 621 -7.486 21.054 1.555 1.00 0.00 H new ATOM 0 HD3 LYS A 621 -6.785 20.892 -0.043 1.00 0.00 H new ATOM 0 HE2 LYS A 621 -8.834 19.573 -0.737 1.00 0.00 H new ATOM 0 HE3 LYS A 621 -9.536 19.927 0.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 621 -10.291 21.481 -0.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 621 -9.376 22.294 0.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 621 -8.695 21.950 -1.183 1.00 0.00 H new ATOM 588 N ASP A 622 -8.660 15.174 3.419 1.00 0.00 N ATOM 589 CA ASP A 622 -9.505 14.554 4.434 1.00 0.00 C ATOM 590 C ASP A 622 -8.683 13.574 5.260 1.00 0.00 C ATOM 591 O ASP A 622 -7.837 12.855 4.724 1.00 0.00 O ATOM 592 CB ASP A 622 -10.688 13.813 3.793 1.00 0.00 C ATOM 593 CG ASP A 622 -11.802 13.526 4.784 1.00 0.00 C ATOM 594 OD1 ASP A 622 -11.610 12.681 5.682 1.00 0.00 O ATOM 595 OD2 ASP A 622 -12.880 14.147 4.665 1.00 0.00 O ATOM 0 H ASP A 622 -8.496 14.596 2.595 1.00 0.00 H new ATOM 0 HA ASP A 622 -9.897 15.343 5.076 1.00 0.00 H new ATOM 0 HB2 ASP A 622 -11.083 14.409 2.970 1.00 0.00 H new ATOM 0 HB3 ASP A 622 -10.336 12.874 3.366 1.00 0.00 H new ATOM 600 N ARG A 623 -8.953 13.544 6.564 1.00 0.00 N ATOM 601 CA ARG A 623 -8.288 12.627 7.481 1.00 0.00 C ATOM 602 C ARG A 623 -8.449 11.179 7.019 1.00 0.00 C ATOM 603 O ARG A 623 -7.543 10.361 7.197 1.00 0.00 O ATOM 604 CB ARG A 623 -8.834 12.785 8.904 1.00 0.00 C ATOM 605 CG ARG A 623 -8.498 14.116 9.568 1.00 0.00 C ATOM 606 CD ARG A 623 -6.997 14.322 9.683 1.00 0.00 C ATOM 607 NE ARG A 623 -6.670 15.512 10.465 1.00 0.00 N ATOM 608 CZ ARG A 623 -5.609 16.288 10.238 1.00 0.00 C ATOM 609 NH1 ARG A 623 -4.810 16.054 9.204 1.00 0.00 N ATOM 610 NH2 ARG A 623 -5.367 17.319 11.032 1.00 0.00 N ATOM 0 H ARG A 623 -9.637 14.154 7.011 1.00 0.00 H new ATOM 0 HA ARG A 623 -7.227 12.876 7.484 1.00 0.00 H new ATOM 0 HB2 ARG A 623 -9.918 12.670 8.878 1.00 0.00 H new ATOM 0 HB3 ARG A 623 -8.442 11.977 9.521 1.00 0.00 H new ATOM 0 HG2 ARG A 623 -8.934 14.931 8.991 1.00 0.00 H new ATOM 0 HG3 ARG A 623 -8.948 14.152 10.560 1.00 0.00 H new ATOM 0 HD2 ARG A 623 -6.545 13.446 10.148 1.00 0.00 H new ATOM 0 HD3 ARG A 623 -6.565 14.412 8.686 1.00 0.00 H new ATOM 0 HE ARG A 623 -7.292 15.765 11.233 1.00 0.00 H new ATOM 0 HH11 ARG A 623 -5.005 15.275 8.575 1.00 0.00 H new ATOM 0 HH12 ARG A 623 -4.001 16.653 9.039 1.00 0.00 H new ATOM 0 HH21 ARG A 623 -5.991 17.518 11.814 1.00 0.00 H new ATOM 0 HH22 ARG A 623 -4.557 17.915 10.862 1.00 0.00 H new ATOM 624 N ARG A 624 -9.619 10.861 6.459 1.00 0.00 N ATOM 625 CA ARG A 624 -9.914 9.517 5.979 1.00 0.00 C ATOM 626 C ARG A 624 -8.848 9.026 5.002 1.00 0.00 C ATOM 627 O ARG A 624 -8.319 7.923 5.162 1.00 0.00 O ATOM 628 CB ARG A 624 -11.293 9.509 5.307 1.00 0.00 C ATOM 629 CG ARG A 624 -11.638 8.209 4.597 1.00 0.00 C ATOM 630 CD ARG A 624 -12.973 8.304 3.870 1.00 0.00 C ATOM 631 NE ARG A 624 -14.099 8.438 4.793 1.00 0.00 N ATOM 632 CZ ARG A 624 -15.150 9.236 4.589 1.00 0.00 C ATOM 633 NH1 ARG A 624 -15.203 10.022 3.523 1.00 0.00 N ATOM 634 NH2 ARG A 624 -16.148 9.250 5.464 1.00 0.00 N ATOM 0 H ARG A 624 -10.381 11.526 6.328 1.00 0.00 H new ATOM 0 HA ARG A 624 -9.916 8.838 6.832 1.00 0.00 H new ATOM 0 HB2 ARG A 624 -12.053 9.709 6.062 1.00 0.00 H new ATOM 0 HB3 ARG A 624 -11.337 10.325 4.586 1.00 0.00 H new ATOM 0 HG2 ARG A 624 -10.851 7.964 3.884 1.00 0.00 H new ATOM 0 HG3 ARG A 624 -11.675 7.396 5.322 1.00 0.00 H new ATOM 0 HD2 ARG A 624 -12.956 9.159 3.194 1.00 0.00 H new ATOM 0 HD3 ARG A 624 -13.114 7.415 3.255 1.00 0.00 H new ATOM 0 HE ARG A 624 -14.080 7.885 5.650 1.00 0.00 H new ATOM 0 HH11 ARG A 624 -14.437 10.021 2.850 1.00 0.00 H new ATOM 0 HH12 ARG A 624 -16.010 10.628 3.376 1.00 0.00 H new ATOM 0 HH21 ARG A 624 -16.111 8.652 6.290 1.00 0.00 H new ATOM 0 HH22 ARG A 624 -16.952 9.859 5.311 1.00 0.00 H new ATOM 648 N MET A 625 -8.520 9.838 4.000 1.00 0.00 N ATOM 649 CA MET A 625 -7.492 9.450 3.043 1.00 0.00 C ATOM 650 C MET A 625 -6.125 9.364 3.714 1.00 0.00 C ATOM 651 O MET A 625 -5.352 8.450 3.434 1.00 0.00 O ATOM 652 CB MET A 625 -7.444 10.381 1.822 1.00 0.00 C ATOM 653 CG MET A 625 -6.287 10.063 0.877 1.00 0.00 C ATOM 654 SD MET A 625 -6.253 11.116 -0.587 1.00 0.00 S ATOM 655 CE MET A 625 -7.724 10.563 -1.445 1.00 0.00 C ATOM 0 H MET A 625 -8.943 10.751 3.832 1.00 0.00 H new ATOM 0 HA MET A 625 -7.762 8.459 2.677 1.00 0.00 H new ATOM 0 HB2 MET A 625 -8.384 10.304 1.276 1.00 0.00 H new ATOM 0 HB3 MET A 625 -7.356 11.413 2.162 1.00 0.00 H new ATOM 0 HG2 MET A 625 -5.346 10.172 1.416 1.00 0.00 H new ATOM 0 HG3 MET A 625 -6.357 9.021 0.565 1.00 0.00 H new ATOM 0 HE1 MET A 625 -7.467 10.291 -2.469 1.00 0.00 H new ATOM 0 HE2 MET A 625 -8.140 9.696 -0.932 1.00 0.00 H new ATOM 0 HE3 MET A 625 -8.462 11.365 -1.457 1.00 0.00 H new ATOM 665 N GLU A 626 -5.842 10.294 4.624 1.00 0.00 N ATOM 666 CA GLU A 626 -4.529 10.372 5.250 1.00 0.00 C ATOM 667 C GLU A 626 -4.207 9.094 6.010 1.00 0.00 C ATOM 668 O GLU A 626 -3.078 8.603 5.961 1.00 0.00 O ATOM 669 CB GLU A 626 -4.457 11.565 6.199 1.00 0.00 C ATOM 670 CG GLU A 626 -4.684 12.903 5.521 1.00 0.00 C ATOM 671 CD GLU A 626 -4.454 14.063 6.459 1.00 0.00 C ATOM 672 OE1 GLU A 626 -3.282 14.454 6.644 1.00 0.00 O ATOM 673 OE2 GLU A 626 -5.434 14.584 7.023 1.00 0.00 O ATOM 0 H GLU A 626 -6.504 11.001 4.942 1.00 0.00 H new ATOM 0 HA GLU A 626 -3.792 10.500 4.457 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -5.200 11.436 6.986 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -3.480 11.574 6.682 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -4.016 12.992 4.664 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -5.703 12.945 5.136 1.00 0.00 H new ATOM 680 N ASN A 627 -5.202 8.549 6.701 1.00 0.00 N ATOM 681 CA ASN A 627 -5.004 7.328 7.478 1.00 0.00 C ATOM 682 C ASN A 627 -4.621 6.161 6.581 1.00 0.00 C ATOM 683 O ASN A 627 -3.735 5.375 6.919 1.00 0.00 O ATOM 684 CB ASN A 627 -6.254 6.965 8.279 1.00 0.00 C ATOM 685 CG ASN A 627 -6.395 7.761 9.567 1.00 0.00 C ATOM 686 OD1 ASN A 627 -5.931 9.005 9.570 1.00 0.00 O flip ATOM 687 ND2 ASN A 627 -6.930 7.263 10.556 1.00 0.00 N flip ATOM 0 H ASN A 627 -6.148 8.929 6.740 1.00 0.00 H new ATOM 0 HA ASN A 627 -4.188 7.525 8.173 1.00 0.00 H new ATOM 0 HB2 ASN A 627 -7.135 7.131 7.659 1.00 0.00 H new ATOM 0 HB3 ASN A 627 -6.228 5.902 8.518 1.00 0.00 H new ATOM 0 HD21 ASN A 627 -7.276 6.304 10.520 1.00 0.00 H new ATOM 0 HD22 ASN A 627 -7.028 7.809 11.412 1.00 0.00 H new ATOM 694 N LEU A 628 -5.293 6.043 5.442 1.00 0.00 N ATOM 695 CA LEU A 628 -4.999 4.961 4.503 1.00 0.00 C ATOM 696 C LEU A 628 -3.608 5.157 3.894 1.00 0.00 C ATOM 697 O LEU A 628 -2.871 4.191 3.693 1.00 0.00 O ATOM 698 CB LEU A 628 -6.116 4.803 3.429 1.00 0.00 C ATOM 699 CG LEU A 628 -6.065 5.699 2.178 1.00 0.00 C ATOM 700 CD1 LEU A 628 -5.134 5.117 1.127 1.00 0.00 C ATOM 701 CD2 LEU A 628 -7.463 5.857 1.601 1.00 0.00 C ATOM 0 H LEU A 628 -6.038 6.674 5.146 1.00 0.00 H new ATOM 0 HA LEU A 628 -4.987 4.019 5.050 1.00 0.00 H new ATOM 0 HB2 LEU A 628 -6.109 3.766 3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 628 -7.074 4.973 3.920 1.00 0.00 H new ATOM 0 HG LEU A 628 -5.679 6.676 2.471 1.00 0.00 H new ATOM 0 HD11 LEU A 628 -5.117 5.770 0.254 1.00 0.00 H new ATOM 0 HD12 LEU A 628 -4.128 5.034 1.538 1.00 0.00 H new ATOM 0 HD13 LEU A 628 -5.489 4.129 0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 628 -7.422 6.492 0.716 1.00 0.00 H new ATOM 0 HD22 LEU A 628 -7.856 4.878 1.327 1.00 0.00 H new ATOM 0 HD23 LEU A 628 -8.114 6.315 2.346 1.00 0.00 H new ATOM 713 N VAL A 629 -3.244 6.410 3.614 1.00 0.00 N ATOM 714 CA VAL A 629 -1.923 6.718 3.069 1.00 0.00 C ATOM 715 C VAL A 629 -0.842 6.367 4.090 1.00 0.00 C ATOM 716 O VAL A 629 0.206 5.813 3.749 1.00 0.00 O ATOM 717 CB VAL A 629 -1.795 8.208 2.672 1.00 0.00 C ATOM 718 CG1 VAL A 629 -0.408 8.509 2.124 1.00 0.00 C ATOM 719 CG2 VAL A 629 -2.856 8.585 1.651 1.00 0.00 C ATOM 0 H VAL A 629 -3.843 7.223 3.755 1.00 0.00 H new ATOM 0 HA VAL A 629 -1.793 6.118 2.168 1.00 0.00 H new ATOM 0 HB VAL A 629 -1.947 8.807 3.570 1.00 0.00 H new ATOM 0 HG11 VAL A 629 -0.345 9.563 1.853 1.00 0.00 H new ATOM 0 HG12 VAL A 629 0.340 8.285 2.884 1.00 0.00 H new ATOM 0 HG13 VAL A 629 -0.224 7.896 1.242 1.00 0.00 H new ATOM 0 HG21 VAL A 629 -2.748 9.637 1.386 1.00 0.00 H new ATOM 0 HG22 VAL A 629 -2.736 7.971 0.758 1.00 0.00 H new ATOM 0 HG23 VAL A 629 -3.846 8.418 2.076 1.00 0.00 H new ATOM 729 N ALA A 630 -1.113 6.692 5.351 1.00 0.00 N ATOM 730 CA ALA A 630 -0.219 6.350 6.448 1.00 0.00 C ATOM 731 C ALA A 630 -0.068 4.835 6.574 1.00 0.00 C ATOM 732 O ALA A 630 1.021 4.335 6.862 1.00 0.00 O ATOM 733 CB ALA A 630 -0.714 6.970 7.749 1.00 0.00 C ATOM 0 H ALA A 630 -1.952 7.196 5.638 1.00 0.00 H new ATOM 0 HA ALA A 630 0.768 6.761 6.233 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -0.035 6.705 8.560 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -0.749 8.054 7.645 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -1.712 6.594 7.974 1.00 0.00 H new ATOM 739 N TYR A 631 -1.164 4.107 6.363 1.00 0.00 N ATOM 740 CA TYR A 631 -1.127 2.647 6.386 1.00 0.00 C ATOM 741 C TYR A 631 -0.229 2.124 5.264 1.00 0.00 C ATOM 742 O TYR A 631 0.491 1.144 5.446 1.00 0.00 O ATOM 743 CB TYR A 631 -2.532 2.034 6.268 1.00 0.00 C ATOM 744 CG TYR A 631 -2.554 0.540 6.512 1.00 0.00 C ATOM 745 CD1 TYR A 631 -2.327 0.024 7.784 1.00 0.00 C ATOM 746 CD2 TYR A 631 -2.808 -0.353 5.480 1.00 0.00 C ATOM 747 CE1 TYR A 631 -2.351 -1.337 8.018 1.00 0.00 C ATOM 748 CE2 TYR A 631 -2.832 -1.718 5.706 1.00 0.00 C ATOM 749 CZ TYR A 631 -2.604 -2.204 6.977 1.00 0.00 C ATOM 750 OH TYR A 631 -2.632 -3.563 7.208 1.00 0.00 O ATOM 0 H TYR A 631 -2.085 4.503 6.175 1.00 0.00 H new ATOM 0 HA TYR A 631 -0.716 2.345 7.350 1.00 0.00 H new ATOM 0 HB2 TYR A 631 -3.195 2.522 6.982 1.00 0.00 H new ATOM 0 HB3 TYR A 631 -2.928 2.239 5.273 1.00 0.00 H new ATOM 0 HD1 TYR A 631 -2.129 0.700 8.603 1.00 0.00 H new ATOM 0 HD2 TYR A 631 -2.990 0.024 4.484 1.00 0.00 H new ATOM 0 HE1 TYR A 631 -2.172 -1.720 9.012 1.00 0.00 H new ATOM 0 HE2 TYR A 631 -3.028 -2.400 4.892 1.00 0.00 H new ATOM 0 HH TYR A 631 -2.825 -4.033 6.370 1.00 0.00 H new ATOM 760 N ALA A 632 -0.282 2.779 4.103 1.00 0.00 N ATOM 761 CA ALA A 632 0.564 2.405 2.971 1.00 0.00 C ATOM 762 C ALA A 632 2.041 2.539 3.341 1.00 0.00 C ATOM 763 O ALA A 632 2.845 1.656 3.043 1.00 0.00 O ATOM 764 CB ALA A 632 0.232 3.255 1.749 1.00 0.00 C ATOM 0 H ALA A 632 -0.901 3.569 3.923 1.00 0.00 H new ATOM 0 HA ALA A 632 0.367 1.362 2.722 1.00 0.00 H new ATOM 0 HB1 ALA A 632 0.872 2.962 0.917 1.00 0.00 H new ATOM 0 HB2 ALA A 632 -0.812 3.105 1.474 1.00 0.00 H new ATOM 0 HB3 ALA A 632 0.398 4.307 1.981 1.00 0.00 H new ATOM 770 N LYS A 633 2.394 3.642 4.001 1.00 0.00 N ATOM 771 CA LYS A 633 3.750 3.834 4.511 1.00 0.00 C ATOM 772 C LYS A 633 4.084 2.793 5.574 1.00 0.00 C ATOM 773 O LYS A 633 5.210 2.302 5.642 1.00 0.00 O ATOM 774 CB LYS A 633 3.918 5.240 5.101 1.00 0.00 C ATOM 775 CG LYS A 633 4.792 6.164 4.260 1.00 0.00 C ATOM 776 CD LYS A 633 4.134 6.509 2.933 1.00 0.00 C ATOM 777 CE LYS A 633 3.028 7.539 3.105 1.00 0.00 C ATOM 778 NZ LYS A 633 3.547 8.831 3.622 1.00 0.00 N ATOM 0 H LYS A 633 1.759 4.416 4.195 1.00 0.00 H new ATOM 0 HA LYS A 633 4.436 3.717 3.672 1.00 0.00 H new ATOM 0 HB2 LYS A 633 2.934 5.694 5.218 1.00 0.00 H new ATOM 0 HB3 LYS A 633 4.350 5.155 6.098 1.00 0.00 H new ATOM 0 HG2 LYS A 633 4.992 7.080 4.816 1.00 0.00 H new ATOM 0 HG3 LYS A 633 5.754 5.686 4.075 1.00 0.00 H new ATOM 0 HD2 LYS A 633 4.885 6.893 2.243 1.00 0.00 H new ATOM 0 HD3 LYS A 633 3.723 5.605 2.485 1.00 0.00 H new ATOM 0 HE2 LYS A 633 2.534 7.704 2.148 1.00 0.00 H new ATOM 0 HE3 LYS A 633 2.274 7.151 3.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 633 2.866 9.588 3.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 633 3.683 8.764 4.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 633 4.456 9.047 3.166 1.00 0.00 H new ATOM 792 N LYS A 634 3.107 2.487 6.420 1.00 0.00 N ATOM 793 CA LYS A 634 3.259 1.452 7.434 1.00 0.00 C ATOM 794 C LYS A 634 3.640 0.131 6.770 1.00 0.00 C ATOM 795 O LYS A 634 4.565 -0.552 7.209 1.00 0.00 O ATOM 796 CB LYS A 634 1.956 1.321 8.239 1.00 0.00 C ATOM 797 CG LYS A 634 2.016 0.341 9.404 1.00 0.00 C ATOM 798 CD LYS A 634 1.595 -1.060 8.988 1.00 0.00 C ATOM 799 CE LYS A 634 1.592 -2.014 10.171 1.00 0.00 C ATOM 800 NZ LYS A 634 2.951 -2.197 10.742 1.00 0.00 N ATOM 0 H LYS A 634 2.196 2.945 6.423 1.00 0.00 H new ATOM 0 HA LYS A 634 4.057 1.725 8.124 1.00 0.00 H new ATOM 0 HB2 LYS A 634 1.684 2.304 8.624 1.00 0.00 H new ATOM 0 HB3 LYS A 634 1.159 1.011 7.564 1.00 0.00 H new ATOM 0 HG2 LYS A 634 3.030 0.312 9.802 1.00 0.00 H new ATOM 0 HG3 LYS A 634 1.368 0.692 10.207 1.00 0.00 H new ATOM 0 HD2 LYS A 634 0.600 -1.026 8.544 1.00 0.00 H new ATOM 0 HD3 LYS A 634 2.274 -1.432 8.220 1.00 0.00 H new ATOM 0 HE2 LYS A 634 0.923 -1.633 10.942 1.00 0.00 H new ATOM 0 HE3 LYS A 634 1.198 -2.980 9.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 634 2.998 -3.108 11.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 634 3.654 -2.185 9.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 634 3.154 -1.426 11.410 1.00 0.00 H new ATOM 814 N VAL A 635 2.922 -0.212 5.703 1.00 0.00 N ATOM 815 CA VAL A 635 3.261 -1.367 4.879 1.00 0.00 C ATOM 816 C VAL A 635 4.702 -1.287 4.381 1.00 0.00 C ATOM 817 O VAL A 635 5.445 -2.260 4.488 1.00 0.00 O ATOM 818 CB VAL A 635 2.290 -1.510 3.682 1.00 0.00 C ATOM 819 CG1 VAL A 635 2.908 -2.324 2.556 1.00 0.00 C ATOM 820 CG2 VAL A 635 0.997 -2.164 4.136 1.00 0.00 C ATOM 0 H VAL A 635 2.097 0.298 5.388 1.00 0.00 H new ATOM 0 HA VAL A 635 3.162 -2.252 5.508 1.00 0.00 H new ATOM 0 HB VAL A 635 2.081 -0.510 3.302 1.00 0.00 H new ATOM 0 HG11 VAL A 635 2.198 -2.404 1.733 1.00 0.00 H new ATOM 0 HG12 VAL A 635 3.815 -1.831 2.206 1.00 0.00 H new ATOM 0 HG13 VAL A 635 3.154 -3.321 2.921 1.00 0.00 H new ATOM 0 HG21 VAL A 635 0.320 -2.260 3.287 1.00 0.00 H new ATOM 0 HG22 VAL A 635 1.212 -3.152 4.542 1.00 0.00 H new ATOM 0 HG23 VAL A 635 0.529 -1.550 4.905 1.00 0.00 H new ATOM 830 N GLU A 636 5.097 -0.126 3.863 1.00 0.00 N ATOM 831 CA GLU A 636 6.467 0.087 3.415 1.00 0.00 C ATOM 832 C GLU A 636 7.444 -0.202 4.556 1.00 0.00 C ATOM 833 O GLU A 636 8.484 -0.821 4.349 1.00 0.00 O ATOM 834 CB GLU A 636 6.615 1.521 2.876 1.00 0.00 C ATOM 835 CG GLU A 636 7.978 2.169 3.096 1.00 0.00 C ATOM 836 CD GLU A 636 9.127 1.482 2.371 1.00 0.00 C ATOM 837 OE1 GLU A 636 8.874 0.716 1.421 1.00 0.00 O ATOM 838 OE2 GLU A 636 10.295 1.716 2.766 1.00 0.00 O ATOM 0 H GLU A 636 4.485 0.681 3.744 1.00 0.00 H new ATOM 0 HA GLU A 636 6.704 -0.601 2.604 1.00 0.00 H new ATOM 0 HB2 GLU A 636 6.405 1.512 1.806 1.00 0.00 H new ATOM 0 HB3 GLU A 636 5.855 2.147 3.344 1.00 0.00 H new ATOM 0 HG2 GLU A 636 7.929 3.208 2.771 1.00 0.00 H new ATOM 0 HG3 GLU A 636 8.193 2.179 4.164 1.00 0.00 H new ATOM 845 N GLY A 637 7.089 0.225 5.763 1.00 0.00 N ATOM 846 CA GLY A 637 7.901 -0.084 6.928 1.00 0.00 C ATOM 847 C GLY A 637 8.102 -1.578 7.116 1.00 0.00 C ATOM 848 O GLY A 637 9.230 -2.039 7.284 1.00 0.00 O ATOM 0 H GLY A 637 6.255 0.779 5.957 1.00 0.00 H new ATOM 0 HA2 GLY A 637 8.872 0.401 6.829 1.00 0.00 H new ATOM 0 HA3 GLY A 637 7.427 0.331 7.818 1.00 0.00 H new ATOM 852 N ASP A 638 7.011 -2.335 7.080 1.00 0.00 N ATOM 853 CA ASP A 638 7.081 -3.793 7.214 1.00 0.00 C ATOM 854 C ASP A 638 7.845 -4.420 6.055 1.00 0.00 C ATOM 855 O ASP A 638 8.689 -5.298 6.256 1.00 0.00 O ATOM 856 CB ASP A 638 5.685 -4.421 7.296 1.00 0.00 C ATOM 857 CG ASP A 638 4.988 -4.131 8.608 1.00 0.00 C ATOM 858 OD1 ASP A 638 4.546 -2.986 8.814 1.00 0.00 O ATOM 859 OD2 ASP A 638 4.868 -5.054 9.441 1.00 0.00 O ATOM 0 H ASP A 638 6.067 -1.968 6.960 1.00 0.00 H new ATOM 0 HA ASP A 638 7.613 -3.995 8.144 1.00 0.00 H new ATOM 0 HB2 ASP A 638 5.074 -4.046 6.475 1.00 0.00 H new ATOM 0 HB3 ASP A 638 5.769 -5.500 7.165 1.00 0.00 H new ATOM 864 N MET A 639 7.542 -3.965 4.845 1.00 0.00 N ATOM 865 CA MET A 639 8.168 -4.506 3.637 1.00 0.00 C ATOM 866 C MET A 639 9.657 -4.214 3.633 1.00 0.00 C ATOM 867 O MET A 639 10.445 -5.045 3.212 1.00 0.00 O ATOM 868 CB MET A 639 7.533 -3.940 2.349 1.00 0.00 C ATOM 869 CG MET A 639 6.024 -4.143 2.248 1.00 0.00 C ATOM 870 SD MET A 639 5.561 -5.883 2.227 1.00 0.00 S ATOM 871 CE MET A 639 3.789 -5.748 2.053 1.00 0.00 C ATOM 0 H MET A 639 6.866 -3.221 4.671 1.00 0.00 H new ATOM 0 HA MET A 639 8.003 -5.583 3.651 1.00 0.00 H new ATOM 0 HB2 MET A 639 7.748 -2.873 2.291 1.00 0.00 H new ATOM 0 HB3 MET A 639 8.009 -4.409 1.488 1.00 0.00 H new ATOM 0 HG2 MET A 639 5.538 -3.651 3.090 1.00 0.00 H new ATOM 0 HG3 MET A 639 5.656 -3.662 1.342 1.00 0.00 H new ATOM 0 HE1 MET A 639 3.399 -6.655 1.591 1.00 0.00 H new ATOM 0 HE2 MET A 639 3.336 -5.617 3.036 1.00 0.00 H new ATOM 0 HE3 MET A 639 3.549 -4.889 1.426 1.00 0.00 H new ATOM 881 N TYR A 640 10.025 -3.028 4.099 1.00 0.00 N ATOM 882 CA TYR A 640 11.420 -2.579 4.071 1.00 0.00 C ATOM 883 C TYR A 640 12.352 -3.609 4.725 1.00 0.00 C ATOM 884 O TYR A 640 13.441 -3.867 4.215 1.00 0.00 O ATOM 885 CB TYR A 640 11.571 -1.199 4.743 1.00 0.00 C ATOM 886 CG TYR A 640 12.830 -0.451 4.355 1.00 0.00 C ATOM 887 CD1 TYR A 640 13.267 -0.428 3.036 1.00 0.00 C ATOM 888 CD2 TYR A 640 13.576 0.247 5.302 1.00 0.00 C ATOM 889 CE1 TYR A 640 14.405 0.260 2.674 1.00 0.00 C ATOM 890 CE2 TYR A 640 14.715 0.940 4.941 1.00 0.00 C ATOM 891 CZ TYR A 640 15.124 0.943 3.628 1.00 0.00 C ATOM 892 OH TYR A 640 16.259 1.632 3.265 1.00 0.00 O ATOM 0 H TYR A 640 9.377 -2.353 4.504 1.00 0.00 H new ATOM 0 HA TYR A 640 11.713 -2.481 3.026 1.00 0.00 H new ATOM 0 HB2 TYR A 640 10.706 -0.587 4.488 1.00 0.00 H new ATOM 0 HB3 TYR A 640 11.560 -1.332 5.825 1.00 0.00 H new ATOM 0 HD1 TYR A 640 12.705 -0.958 2.282 1.00 0.00 H new ATOM 0 HD2 TYR A 640 13.259 0.246 6.334 1.00 0.00 H new ATOM 0 HE1 TYR A 640 14.732 0.263 1.645 1.00 0.00 H new ATOM 0 HE2 TYR A 640 15.282 1.477 5.687 1.00 0.00 H new ATOM 0 HH TYR A 640 16.649 2.060 4.056 1.00 0.00 H new ATOM 902 N GLU A 641 11.921 -4.220 5.831 1.00 0.00 N ATOM 903 CA GLU A 641 12.730 -5.266 6.474 1.00 0.00 C ATOM 904 C GLU A 641 12.815 -6.503 5.576 1.00 0.00 C ATOM 905 O GLU A 641 13.889 -7.063 5.356 1.00 0.00 O ATOM 906 CB GLU A 641 12.175 -5.651 7.856 1.00 0.00 C ATOM 907 CG GLU A 641 12.666 -4.734 9.000 1.00 0.00 C ATOM 908 CD GLU A 641 12.051 -3.349 8.962 1.00 0.00 C ATOM 909 OE1 GLU A 641 10.965 -3.158 9.555 1.00 0.00 O ATOM 910 OE2 GLU A 641 12.662 -2.436 8.364 1.00 0.00 O ATOM 0 H GLU A 641 11.036 -4.017 6.295 1.00 0.00 H new ATOM 0 HA GLU A 641 13.731 -4.860 6.621 1.00 0.00 H new ATOM 0 HB2 GLU A 641 11.086 -5.622 7.821 1.00 0.00 H new ATOM 0 HB3 GLU A 641 12.460 -6.679 8.079 1.00 0.00 H new ATOM 0 HG2 GLU A 641 12.433 -5.202 9.957 1.00 0.00 H new ATOM 0 HG3 GLU A 641 13.751 -4.644 8.945 1.00 0.00 H new ATOM 917 N SER A 642 11.663 -6.905 5.062 1.00 0.00 N ATOM 918 CA SER A 642 11.536 -8.071 4.187 1.00 0.00 C ATOM 919 C SER A 642 12.293 -7.884 2.866 1.00 0.00 C ATOM 920 O SER A 642 12.822 -8.842 2.308 1.00 0.00 O ATOM 921 CB SER A 642 10.061 -8.339 3.918 1.00 0.00 C ATOM 922 OG SER A 642 9.322 -8.327 5.130 1.00 0.00 O ATOM 0 H SER A 642 10.778 -6.429 5.239 1.00 0.00 H new ATOM 0 HA SER A 642 11.983 -8.926 4.694 1.00 0.00 H new ATOM 0 HB2 SER A 642 9.667 -7.584 3.238 1.00 0.00 H new ATOM 0 HB3 SER A 642 9.945 -9.304 3.425 1.00 0.00 H new ATOM 0 HG SER A 642 8.376 -8.499 4.938 1.00 0.00 H new ATOM 928 N ALA A 643 12.275 -6.646 2.367 1.00 0.00 N ATOM 929 CA ALA A 643 12.892 -6.215 1.095 1.00 0.00 C ATOM 930 C ALA A 643 14.383 -6.564 0.925 1.00 0.00 C ATOM 931 O ALA A 643 15.079 -5.910 0.147 1.00 0.00 O ATOM 932 CB ALA A 643 12.708 -4.717 0.931 1.00 0.00 C ATOM 0 H ALA A 643 11.812 -5.878 2.854 1.00 0.00 H new ATOM 0 HA ALA A 643 12.374 -6.780 0.320 1.00 0.00 H new ATOM 0 HB1 ALA A 643 13.162 -4.395 -0.006 1.00 0.00 H new ATOM 0 HB2 ALA A 643 11.644 -4.480 0.919 1.00 0.00 H new ATOM 0 HB3 ALA A 643 13.186 -4.199 1.762 1.00 0.00 H new ATOM 938 N ASN A 644 14.873 -7.558 1.646 1.00 0.00 N ATOM 939 CA ASN A 644 16.290 -7.925 1.613 1.00 0.00 C ATOM 940 C ASN A 644 16.641 -8.559 0.261 1.00 0.00 C ATOM 941 O ASN A 644 17.798 -8.899 -0.002 1.00 0.00 O ATOM 942 CB ASN A 644 16.617 -8.906 2.765 1.00 0.00 C ATOM 943 CG ASN A 644 18.115 -9.085 3.002 1.00 0.00 C ATOM 944 OD1 ASN A 644 18.902 -8.033 2.786 1.00 0.00 O flip ATOM 945 ND2 ASN A 644 18.559 -10.162 3.399 1.00 0.00 N flip ATOM 0 H ASN A 644 14.308 -8.135 2.270 1.00 0.00 H new ATOM 0 HA ASN A 644 16.888 -7.023 1.743 1.00 0.00 H new ATOM 0 HB2 ASN A 644 16.152 -8.545 3.682 1.00 0.00 H new ATOM 0 HB3 ASN A 644 16.173 -9.876 2.543 1.00 0.00 H new ATOM 0 HD21 ASN A 644 17.928 -10.948 3.554 1.00 0.00 H new ATOM 0 HD22 ASN A 644 19.558 -10.269 3.573 1.00 0.00 H new ATOM 952 N SER A 645 15.634 -8.706 -0.596 1.00 0.00 N ATOM 953 CA SER A 645 15.841 -9.173 -1.951 1.00 0.00 C ATOM 954 C SER A 645 14.843 -8.495 -2.895 1.00 0.00 C ATOM 955 O SER A 645 13.687 -8.282 -2.520 1.00 0.00 O ATOM 956 CB SER A 645 15.727 -10.700 -2.024 1.00 0.00 C ATOM 957 OG SER A 645 14.505 -11.157 -1.467 1.00 0.00 O ATOM 0 H SER A 645 14.661 -8.505 -0.367 1.00 0.00 H new ATOM 0 HA SER A 645 16.849 -8.905 -2.267 1.00 0.00 H new ATOM 0 HB2 SER A 645 15.797 -11.022 -3.063 1.00 0.00 H new ATOM 0 HB3 SER A 645 16.563 -11.154 -1.492 1.00 0.00 H new ATOM 0 HG SER A 645 14.528 -11.048 -0.493 1.00 0.00 H new ATOM 963 N ARG A 646 15.295 -8.131 -4.090 1.00 0.00 N ATOM 964 CA ARG A 646 14.466 -7.379 -5.038 1.00 0.00 C ATOM 965 C ARG A 646 13.140 -8.086 -5.318 1.00 0.00 C ATOM 966 O ARG A 646 12.070 -7.484 -5.194 1.00 0.00 O ATOM 967 CB ARG A 646 15.228 -7.174 -6.350 1.00 0.00 C ATOM 968 CG ARG A 646 16.390 -6.199 -6.246 1.00 0.00 C ATOM 969 CD ARG A 646 15.925 -4.750 -6.330 1.00 0.00 C ATOM 970 NE ARG A 646 15.295 -4.453 -7.614 1.00 0.00 N ATOM 971 CZ ARG A 646 15.295 -3.253 -8.197 1.00 0.00 C ATOM 972 NH1 ARG A 646 15.927 -2.225 -7.637 1.00 0.00 N ATOM 973 NH2 ARG A 646 14.672 -3.092 -9.357 1.00 0.00 N ATOM 0 H ARG A 646 16.233 -8.343 -4.430 1.00 0.00 H new ATOM 0 HA ARG A 646 14.242 -6.413 -4.586 1.00 0.00 H new ATOM 0 HB2 ARG A 646 15.605 -8.137 -6.693 1.00 0.00 H new ATOM 0 HB3 ARG A 646 14.533 -6.815 -7.109 1.00 0.00 H new ATOM 0 HG2 ARG A 646 16.914 -6.358 -5.304 1.00 0.00 H new ATOM 0 HG3 ARG A 646 17.104 -6.398 -7.045 1.00 0.00 H new ATOM 0 HD2 ARG A 646 15.219 -4.548 -5.524 1.00 0.00 H new ATOM 0 HD3 ARG A 646 16.777 -4.086 -6.182 1.00 0.00 H new ATOM 0 HE ARG A 646 14.822 -5.216 -8.098 1.00 0.00 H new ATOM 0 HH11 ARG A 646 16.419 -2.349 -6.752 1.00 0.00 H new ATOM 0 HH12 ARG A 646 15.920 -1.312 -8.093 1.00 0.00 H new ATOM 0 HH21 ARG A 646 14.198 -3.882 -9.795 1.00 0.00 H new ATOM 0 HH22 ARG A 646 14.666 -2.178 -9.810 1.00 0.00 H new ATOM 987 N ASP A 647 13.222 -9.368 -5.649 1.00 0.00 N ATOM 988 CA ASP A 647 12.043 -10.153 -6.008 1.00 0.00 C ATOM 989 C ASP A 647 11.033 -10.187 -4.865 1.00 0.00 C ATOM 990 O ASP A 647 9.823 -10.083 -5.087 1.00 0.00 O ATOM 991 CB ASP A 647 12.444 -11.581 -6.387 1.00 0.00 C ATOM 992 CG ASP A 647 11.262 -12.411 -6.850 1.00 0.00 C ATOM 993 OD1 ASP A 647 10.814 -12.231 -8.005 1.00 0.00 O ATOM 994 OD2 ASP A 647 10.774 -13.248 -6.065 1.00 0.00 O ATOM 0 H ASP A 647 14.097 -9.891 -5.677 1.00 0.00 H new ATOM 0 HA ASP A 647 11.575 -9.673 -6.867 1.00 0.00 H new ATOM 0 HB2 ASP A 647 13.193 -11.547 -7.178 1.00 0.00 H new ATOM 0 HB3 ASP A 647 12.910 -12.065 -5.528 1.00 0.00 H new ATOM 999 N GLU A 648 11.538 -10.321 -3.645 1.00 0.00 N ATOM 1000 CA GLU A 648 10.689 -10.409 -2.462 1.00 0.00 C ATOM 1001 C GLU A 648 9.909 -9.114 -2.258 1.00 0.00 C ATOM 1002 O GLU A 648 8.698 -9.140 -2.040 1.00 0.00 O ATOM 1003 CB GLU A 648 11.539 -10.721 -1.229 1.00 0.00 C ATOM 1004 CG GLU A 648 10.739 -11.070 0.013 1.00 0.00 C ATOM 1005 CD GLU A 648 11.615 -11.597 1.132 1.00 0.00 C ATOM 1006 OE1 GLU A 648 12.858 -11.566 0.989 1.00 0.00 O ATOM 1007 OE2 GLU A 648 11.065 -12.063 2.153 1.00 0.00 O ATOM 0 H GLU A 648 12.537 -10.371 -3.448 1.00 0.00 H new ATOM 0 HA GLU A 648 9.972 -11.217 -2.609 1.00 0.00 H new ATOM 0 HB2 GLU A 648 12.205 -11.552 -1.463 1.00 0.00 H new ATOM 0 HB3 GLU A 648 12.169 -9.859 -1.010 1.00 0.00 H new ATOM 0 HG2 GLU A 648 10.205 -10.185 0.359 1.00 0.00 H new ATOM 0 HG3 GLU A 648 9.987 -11.818 -0.240 1.00 0.00 H new ATOM 1014 N TYR A 649 10.611 -7.989 -2.363 1.00 0.00 N ATOM 1015 CA TYR A 649 10.000 -6.672 -2.169 1.00 0.00 C ATOM 1016 C TYR A 649 8.803 -6.487 -3.102 1.00 0.00 C ATOM 1017 O TYR A 649 7.718 -6.109 -2.659 1.00 0.00 O ATOM 1018 CB TYR A 649 11.038 -5.559 -2.398 1.00 0.00 C ATOM 1019 CG TYR A 649 10.588 -4.159 -2.005 1.00 0.00 C ATOM 1020 CD1 TYR A 649 9.657 -3.942 -0.991 1.00 0.00 C ATOM 1021 CD2 TYR A 649 11.106 -3.049 -2.658 1.00 0.00 C ATOM 1022 CE1 TYR A 649 9.263 -2.658 -0.647 1.00 0.00 C ATOM 1023 CE2 TYR A 649 10.718 -1.769 -2.319 1.00 0.00 C ATOM 1024 CZ TYR A 649 9.798 -1.577 -1.315 1.00 0.00 C ATOM 1025 OH TYR A 649 9.406 -0.296 -0.993 1.00 0.00 O ATOM 0 H TYR A 649 11.607 -7.961 -2.582 1.00 0.00 H new ATOM 0 HA TYR A 649 9.644 -6.609 -1.141 1.00 0.00 H new ATOM 0 HB2 TYR A 649 11.939 -5.804 -1.836 1.00 0.00 H new ATOM 0 HB3 TYR A 649 11.312 -5.552 -3.453 1.00 0.00 H new ATOM 0 HD1 TYR A 649 9.236 -4.786 -0.465 1.00 0.00 H new ATOM 0 HD2 TYR A 649 11.828 -3.190 -3.448 1.00 0.00 H new ATOM 0 HE1 TYR A 649 8.540 -2.505 0.141 1.00 0.00 H new ATOM 0 HE2 TYR A 649 11.136 -0.920 -2.841 1.00 0.00 H new ATOM 0 HH TYR A 649 9.173 -0.254 -0.042 1.00 0.00 H new ATOM 1035 N TYR A 650 8.989 -6.779 -4.389 1.00 0.00 N ATOM 1036 CA TYR A 650 7.935 -6.642 -5.367 1.00 0.00 C ATOM 1037 C TYR A 650 6.785 -7.618 -5.115 1.00 0.00 C ATOM 1038 O TYR A 650 5.618 -7.252 -5.260 1.00 0.00 O ATOM 1039 CB TYR A 650 8.515 -6.851 -6.760 1.00 0.00 C ATOM 1040 CG TYR A 650 9.284 -5.665 -7.293 1.00 0.00 C ATOM 1041 CD1 TYR A 650 8.633 -4.660 -7.995 1.00 0.00 C ATOM 1042 CD2 TYR A 650 10.656 -5.554 -7.108 1.00 0.00 C ATOM 1043 CE1 TYR A 650 9.328 -3.579 -8.499 1.00 0.00 C ATOM 1044 CE2 TYR A 650 11.357 -4.473 -7.609 1.00 0.00 C ATOM 1045 CZ TYR A 650 10.687 -3.490 -8.303 1.00 0.00 C ATOM 1046 OH TYR A 650 11.380 -2.417 -8.813 1.00 0.00 O ATOM 0 H TYR A 650 9.873 -7.115 -4.771 1.00 0.00 H new ATOM 0 HA TYR A 650 7.521 -5.637 -5.283 1.00 0.00 H new ATOM 0 HB2 TYR A 650 9.174 -7.719 -6.741 1.00 0.00 H new ATOM 0 HB3 TYR A 650 7.703 -7.083 -7.449 1.00 0.00 H new ATOM 0 HD1 TYR A 650 7.566 -4.725 -8.149 1.00 0.00 H new ATOM 0 HD2 TYR A 650 11.183 -6.324 -6.564 1.00 0.00 H new ATOM 0 HE1 TYR A 650 8.807 -2.806 -9.045 1.00 0.00 H new ATOM 0 HE2 TYR A 650 12.424 -4.400 -7.457 1.00 0.00 H new ATOM 0 HH TYR A 650 10.937 -2.099 -9.628 1.00 0.00 H new ATOM 1056 N HIS A 651 7.115 -8.853 -4.733 1.00 0.00 N ATOM 1057 CA HIS A 651 6.108 -9.906 -4.581 1.00 0.00 C ATOM 1058 C HIS A 651 5.169 -9.594 -3.423 1.00 0.00 C ATOM 1059 O HIS A 651 3.958 -9.797 -3.519 1.00 0.00 O ATOM 1060 CB HIS A 651 6.778 -11.268 -4.370 1.00 0.00 C ATOM 1061 CG HIS A 651 5.816 -12.421 -4.317 1.00 0.00 C ATOM 1062 ND1 HIS A 651 4.904 -12.694 -5.315 1.00 0.00 N ATOM 1063 CD2 HIS A 651 5.633 -13.378 -3.377 1.00 0.00 C ATOM 1064 CE1 HIS A 651 4.205 -13.764 -4.990 1.00 0.00 C ATOM 1065 NE2 HIS A 651 4.628 -14.200 -3.819 1.00 0.00 N ATOM 0 H HIS A 651 8.069 -9.149 -4.524 1.00 0.00 H new ATOM 0 HA HIS A 651 5.521 -9.946 -5.499 1.00 0.00 H new ATOM 0 HB2 HIS A 651 7.491 -11.440 -5.177 1.00 0.00 H new ATOM 0 HB3 HIS A 651 7.348 -11.241 -3.441 1.00 0.00 H new ATOM 0 HD2 HIS A 651 6.178 -13.476 -2.450 1.00 0.00 H new ATOM 0 HE1 HIS A 651 3.419 -14.208 -5.583 1.00 0.00 H new ATOM 0 HE2 HIS A 651 4.267 -15.015 -3.323 1.00 0.00 H new ATOM 1074 N LEU A 652 5.738 -9.099 -2.334 1.00 0.00 N ATOM 1075 CA LEU A 652 4.972 -8.775 -1.138 1.00 0.00 C ATOM 1076 C LEU A 652 3.920 -7.715 -1.433 1.00 0.00 C ATOM 1077 O LEU A 652 2.748 -7.871 -1.080 1.00 0.00 O ATOM 1078 CB LEU A 652 5.913 -8.278 -0.044 1.00 0.00 C ATOM 1079 CG LEU A 652 6.917 -9.305 0.469 1.00 0.00 C ATOM 1080 CD1 LEU A 652 7.965 -8.631 1.336 1.00 0.00 C ATOM 1081 CD2 LEU A 652 6.202 -10.397 1.247 1.00 0.00 C ATOM 0 H LEU A 652 6.737 -8.911 -2.253 1.00 0.00 H new ATOM 0 HA LEU A 652 4.462 -9.678 -0.802 1.00 0.00 H new ATOM 0 HB2 LEU A 652 6.462 -7.416 -0.424 1.00 0.00 H new ATOM 0 HB3 LEU A 652 5.314 -7.929 0.797 1.00 0.00 H new ATOM 0 HG LEU A 652 7.418 -9.761 -0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 652 8.675 -9.377 1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 652 8.494 -7.879 0.750 1.00 0.00 H new ATOM 0 HD13 LEU A 652 7.480 -8.152 2.187 1.00 0.00 H new ATOM 0 HD21 LEU A 652 6.930 -11.123 1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 652 5.679 -9.956 2.095 1.00 0.00 H new ATOM 0 HD23 LEU A 652 5.483 -10.896 0.597 1.00 0.00 H new ATOM 1093 N LEU A 653 4.351 -6.636 -2.072 1.00 0.00 N ATOM 1094 CA LEU A 653 3.455 -5.552 -2.450 1.00 0.00 C ATOM 1095 C LEU A 653 2.424 -6.021 -3.473 1.00 0.00 C ATOM 1096 O LEU A 653 1.239 -5.710 -3.354 1.00 0.00 O ATOM 1097 CB LEU A 653 4.261 -4.377 -2.992 1.00 0.00 C ATOM 1098 CG LEU A 653 5.052 -3.610 -1.933 1.00 0.00 C ATOM 1099 CD1 LEU A 653 6.295 -2.999 -2.544 1.00 0.00 C ATOM 1100 CD2 LEU A 653 4.189 -2.524 -1.306 1.00 0.00 C ATOM 0 H LEU A 653 5.324 -6.488 -2.341 1.00 0.00 H new ATOM 0 HA LEU A 653 2.912 -5.227 -1.562 1.00 0.00 H new ATOM 0 HB2 LEU A 653 4.954 -4.746 -3.749 1.00 0.00 H new ATOM 0 HB3 LEU A 653 3.582 -3.686 -3.491 1.00 0.00 H new ATOM 0 HG LEU A 653 5.352 -4.310 -1.153 1.00 0.00 H new ATOM 0 HD11 LEU A 653 6.848 -2.456 -1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 653 6.924 -3.789 -2.955 1.00 0.00 H new ATOM 0 HD13 LEU A 653 6.009 -2.312 -3.340 1.00 0.00 H new ATOM 0 HD21 LEU A 653 4.768 -1.988 -0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 653 3.863 -1.827 -2.078 1.00 0.00 H new ATOM 0 HD23 LEU A 653 3.317 -2.978 -0.836 1.00 0.00 H new ATOM 1112 N ALA A 654 2.878 -6.779 -4.470 1.00 0.00 N ATOM 1113 CA ALA A 654 1.982 -7.338 -5.481 1.00 0.00 C ATOM 1114 C ALA A 654 0.876 -8.171 -4.837 1.00 0.00 C ATOM 1115 O ALA A 654 -0.296 -8.065 -5.212 1.00 0.00 O ATOM 1116 CB ALA A 654 2.769 -8.185 -6.471 1.00 0.00 C ATOM 0 H ALA A 654 3.861 -7.020 -4.599 1.00 0.00 H new ATOM 0 HA ALA A 654 1.515 -6.510 -6.014 1.00 0.00 H new ATOM 0 HB1 ALA A 654 2.090 -8.596 -7.219 1.00 0.00 H new ATOM 0 HB2 ALA A 654 3.520 -7.566 -6.963 1.00 0.00 H new ATOM 0 HB3 ALA A 654 3.261 -9.000 -5.941 1.00 0.00 H new ATOM 1122 N GLU A 655 1.264 -8.990 -3.863 1.00 0.00 N ATOM 1123 CA GLU A 655 0.308 -9.823 -3.121 1.00 0.00 C ATOM 1124 C GLU A 655 -0.707 -8.945 -2.392 1.00 0.00 C ATOM 1125 O GLU A 655 -1.899 -9.245 -2.365 1.00 0.00 O ATOM 1126 CB GLU A 655 1.024 -10.746 -2.115 1.00 0.00 C ATOM 1127 CG GLU A 655 0.098 -11.362 -1.077 1.00 0.00 C ATOM 1128 CD GLU A 655 0.845 -12.181 -0.048 1.00 0.00 C ATOM 1129 OE1 GLU A 655 1.361 -11.591 0.921 1.00 0.00 O ATOM 1130 OE2 GLU A 655 0.915 -13.415 -0.196 1.00 0.00 O ATOM 0 H GLU A 655 2.234 -9.098 -3.565 1.00 0.00 H new ATOM 0 HA GLU A 655 -0.213 -10.451 -3.844 1.00 0.00 H new ATOM 0 HB2 GLU A 655 1.523 -11.546 -2.662 1.00 0.00 H new ATOM 0 HB3 GLU A 655 1.800 -10.177 -1.603 1.00 0.00 H new ATOM 0 HG2 GLU A 655 -0.456 -10.570 -0.574 1.00 0.00 H new ATOM 0 HG3 GLU A 655 -0.635 -11.995 -1.578 1.00 0.00 H new ATOM 1137 N LYS A 656 -0.226 -7.848 -1.814 1.00 0.00 N ATOM 1138 CA LYS A 656 -1.089 -6.933 -1.070 1.00 0.00 C ATOM 1139 C LYS A 656 -2.136 -6.305 -1.982 1.00 0.00 C ATOM 1140 O LYS A 656 -3.314 -6.236 -1.630 1.00 0.00 O ATOM 1141 CB LYS A 656 -0.275 -5.823 -0.398 1.00 0.00 C ATOM 1142 CG LYS A 656 0.714 -6.307 0.653 1.00 0.00 C ATOM 1143 CD LYS A 656 0.037 -7.088 1.770 1.00 0.00 C ATOM 1144 CE LYS A 656 0.126 -8.590 1.543 1.00 0.00 C ATOM 1145 NZ LYS A 656 1.530 -9.082 1.611 1.00 0.00 N ATOM 0 H LYS A 656 0.755 -7.570 -1.846 1.00 0.00 H new ATOM 0 HA LYS A 656 -1.589 -7.521 -0.300 1.00 0.00 H new ATOM 0 HB2 LYS A 656 0.271 -5.276 -1.166 1.00 0.00 H new ATOM 0 HB3 LYS A 656 -0.963 -5.118 0.068 1.00 0.00 H new ATOM 0 HG2 LYS A 656 1.466 -6.936 0.178 1.00 0.00 H new ATOM 0 HG3 LYS A 656 1.237 -5.450 1.078 1.00 0.00 H new ATOM 0 HD2 LYS A 656 0.502 -6.836 2.723 1.00 0.00 H new ATOM 0 HD3 LYS A 656 -1.010 -6.792 1.838 1.00 0.00 H new ATOM 0 HE2 LYS A 656 -0.476 -9.106 2.291 1.00 0.00 H new ATOM 0 HE3 LYS A 656 -0.297 -8.835 0.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 656 1.533 -10.122 1.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 656 2.053 -8.756 0.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 656 1.986 -8.712 2.469 1.00 0.00 H new ATOM 1159 N ILE A 657 -1.702 -5.850 -3.152 1.00 0.00 N ATOM 1160 CA ILE A 657 -2.601 -5.204 -4.097 1.00 0.00 C ATOM 1161 C ILE A 657 -3.656 -6.188 -4.601 1.00 0.00 C ATOM 1162 O ILE A 657 -4.836 -5.853 -4.675 1.00 0.00 O ATOM 1163 CB ILE A 657 -1.830 -4.596 -5.294 1.00 0.00 C ATOM 1164 CG1 ILE A 657 -0.782 -3.601 -4.784 1.00 0.00 C ATOM 1165 CG2 ILE A 657 -2.793 -3.906 -6.255 1.00 0.00 C ATOM 1166 CD1 ILE A 657 0.075 -2.997 -5.876 1.00 0.00 C ATOM 0 H ILE A 657 -0.734 -5.917 -3.467 1.00 0.00 H new ATOM 0 HA ILE A 657 -3.098 -4.392 -3.567 1.00 0.00 H new ATOM 0 HB ILE A 657 -1.326 -5.398 -5.833 1.00 0.00 H new ATOM 0 HG12 ILE A 657 -1.288 -2.798 -4.248 1.00 0.00 H new ATOM 0 HG13 ILE A 657 -0.136 -4.106 -4.066 1.00 0.00 H new ATOM 0 HG21 ILE A 657 -2.234 -3.484 -7.090 1.00 0.00 H new ATOM 0 HG22 ILE A 657 -3.514 -4.632 -6.631 1.00 0.00 H new ATOM 0 HG23 ILE A 657 -3.320 -3.108 -5.732 1.00 0.00 H new ATOM 0 HD11 ILE A 657 0.791 -2.304 -5.435 1.00 0.00 H new ATOM 0 HD12 ILE A 657 0.611 -3.790 -6.398 1.00 0.00 H new ATOM 0 HD13 ILE A 657 -0.560 -2.462 -6.582 1.00 0.00 H new ATOM 1178 N TYR A 658 -3.234 -7.411 -4.927 1.00 0.00 N ATOM 1179 CA TYR A 658 -4.177 -8.431 -5.391 1.00 0.00 C ATOM 1180 C TYR A 658 -5.154 -8.774 -4.269 1.00 0.00 C ATOM 1181 O TYR A 658 -6.342 -8.989 -4.517 1.00 0.00 O ATOM 1182 CB TYR A 658 -3.466 -9.698 -5.906 1.00 0.00 C ATOM 1183 CG TYR A 658 -4.294 -10.493 -6.908 1.00 0.00 C ATOM 1184 CD1 TYR A 658 -4.745 -9.897 -8.082 1.00 0.00 C ATOM 1185 CD2 TYR A 658 -4.632 -11.832 -6.689 1.00 0.00 C ATOM 1186 CE1 TYR A 658 -5.499 -10.600 -9.001 1.00 0.00 C ATOM 1187 CE2 TYR A 658 -5.388 -12.537 -7.608 1.00 0.00 C ATOM 1188 CZ TYR A 658 -5.819 -11.917 -8.760 1.00 0.00 C ATOM 1189 OH TYR A 658 -6.567 -12.617 -9.682 1.00 0.00 O ATOM 0 H TYR A 658 -2.262 -7.717 -4.880 1.00 0.00 H new ATOM 0 HA TYR A 658 -4.726 -8.018 -6.237 1.00 0.00 H new ATOM 0 HB2 TYR A 658 -2.523 -9.412 -6.371 1.00 0.00 H new ATOM 0 HB3 TYR A 658 -3.222 -10.338 -5.058 1.00 0.00 H new ATOM 0 HD1 TYR A 658 -4.500 -8.864 -8.278 1.00 0.00 H new ATOM 0 HD2 TYR A 658 -4.297 -12.324 -5.788 1.00 0.00 H new ATOM 0 HE1 TYR A 658 -5.837 -10.118 -9.906 1.00 0.00 H new ATOM 0 HE2 TYR A 658 -5.640 -13.571 -7.423 1.00 0.00 H new ATOM 0 HH TYR A 658 -6.705 -13.533 -9.363 1.00 0.00 H new ATOM 1199 N LYS A 659 -4.646 -8.821 -3.031 1.00 0.00 N ATOM 1200 CA LYS A 659 -5.470 -9.089 -1.870 1.00 0.00 C ATOM 1201 C LYS A 659 -6.575 -8.044 -1.760 1.00 0.00 C ATOM 1202 O LYS A 659 -7.731 -8.370 -1.504 1.00 0.00 O ATOM 1203 CB LYS A 659 -4.606 -9.076 -0.608 1.00 0.00 C ATOM 1204 CG LYS A 659 -5.214 -9.841 0.553 1.00 0.00 C ATOM 1205 CD LYS A 659 -5.293 -11.330 0.255 1.00 0.00 C ATOM 1206 CE LYS A 659 -3.917 -11.980 0.219 1.00 0.00 C ATOM 1207 NZ LYS A 659 -3.265 -11.981 1.557 1.00 0.00 N ATOM 0 H LYS A 659 -3.659 -8.674 -2.818 1.00 0.00 H new ATOM 0 HA LYS A 659 -5.928 -10.072 -1.977 1.00 0.00 H new ATOM 0 HB2 LYS A 659 -3.630 -9.502 -0.842 1.00 0.00 H new ATOM 0 HB3 LYS A 659 -4.438 -8.043 -0.303 1.00 0.00 H new ATOM 0 HG2 LYS A 659 -4.617 -9.679 1.450 1.00 0.00 H new ATOM 0 HG3 LYS A 659 -6.212 -9.456 0.761 1.00 0.00 H new ATOM 0 HD2 LYS A 659 -5.905 -11.819 1.013 1.00 0.00 H new ATOM 0 HD3 LYS A 659 -5.790 -11.482 -0.703 1.00 0.00 H new ATOM 0 HE2 LYS A 659 -4.010 -13.005 -0.140 1.00 0.00 H new ATOM 0 HE3 LYS A 659 -3.284 -11.449 -0.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 659 -2.442 -12.617 1.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 659 -2.953 -11.017 1.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 659 -3.943 -12.310 2.273 1.00 0.00 H new ATOM 1221 N ILE A 660 -6.208 -6.788 -1.945 1.00 0.00 N ATOM 1222 CA ILE A 660 -7.185 -5.711 -1.950 1.00 0.00 C ATOM 1223 C ILE A 660 -8.149 -5.835 -3.130 1.00 0.00 C ATOM 1224 O ILE A 660 -9.346 -5.592 -2.983 1.00 0.00 O ATOM 1225 CB ILE A 660 -6.521 -4.311 -1.902 1.00 0.00 C ATOM 1226 CG1 ILE A 660 -6.806 -3.672 -0.547 1.00 0.00 C ATOM 1227 CG2 ILE A 660 -7.000 -3.388 -3.024 1.00 0.00 C ATOM 1228 CD1 ILE A 660 -6.179 -2.314 -0.382 1.00 0.00 C ATOM 0 H ILE A 660 -5.244 -6.488 -2.093 1.00 0.00 H new ATOM 0 HA ILE A 660 -7.768 -5.812 -1.035 1.00 0.00 H new ATOM 0 HB ILE A 660 -5.449 -4.449 -2.045 1.00 0.00 H new ATOM 0 HG12 ILE A 660 -7.884 -3.584 -0.415 1.00 0.00 H new ATOM 0 HG13 ILE A 660 -6.441 -4.331 0.241 1.00 0.00 H new ATOM 0 HG21 ILE A 660 -6.501 -2.423 -2.939 1.00 0.00 H new ATOM 0 HG22 ILE A 660 -6.763 -3.835 -3.989 1.00 0.00 H new ATOM 0 HG23 ILE A 660 -8.078 -3.247 -2.944 1.00 0.00 H new ATOM 0 HD11 ILE A 660 -6.422 -1.918 0.604 1.00 0.00 H new ATOM 0 HD12 ILE A 660 -5.097 -2.398 -0.482 1.00 0.00 H new ATOM 0 HD13 ILE A 660 -6.563 -1.640 -1.148 1.00 0.00 H new ATOM 1240 N GLN A 661 -7.636 -6.241 -4.290 1.00 0.00 N ATOM 1241 CA GLN A 661 -8.455 -6.272 -5.507 1.00 0.00 C ATOM 1242 C GLN A 661 -9.576 -7.296 -5.375 1.00 0.00 C ATOM 1243 O GLN A 661 -10.715 -7.033 -5.767 1.00 0.00 O ATOM 1244 CB GLN A 661 -7.622 -6.545 -6.772 1.00 0.00 C ATOM 1245 CG GLN A 661 -6.686 -5.394 -7.149 1.00 0.00 C ATOM 1246 CD GLN A 661 -5.957 -5.627 -8.459 1.00 0.00 C ATOM 1247 OE1 GLN A 661 -5.657 -6.878 -8.756 1.00 0.00 O flip ATOM 1248 NE2 GLN A 661 -5.649 -4.684 -9.191 1.00 0.00 N flip ATOM 0 H GLN A 661 -6.672 -6.549 -4.416 1.00 0.00 H new ATOM 0 HA GLN A 661 -8.891 -5.279 -5.620 1.00 0.00 H new ATOM 0 HB2 GLN A 661 -7.031 -7.448 -6.620 1.00 0.00 H new ATOM 0 HB3 GLN A 661 -8.296 -6.742 -7.606 1.00 0.00 H new ATOM 0 HG2 GLN A 661 -7.263 -4.472 -7.220 1.00 0.00 H new ATOM 0 HG3 GLN A 661 -5.955 -5.252 -6.353 1.00 0.00 H new ATOM 0 HE21 GLN A 661 -5.899 -3.731 -8.927 1.00 0.00 H new ATOM 0 HE22 GLN A 661 -5.145 -4.857 -10.061 1.00 0.00 H new ATOM 1257 N LYS A 662 -9.253 -8.456 -4.808 1.00 0.00 N ATOM 1258 CA LYS A 662 -10.250 -9.489 -4.566 1.00 0.00 C ATOM 1259 C LYS A 662 -11.272 -9.010 -3.532 1.00 0.00 C ATOM 1260 O LYS A 662 -12.456 -9.332 -3.619 1.00 0.00 O ATOM 1261 CB LYS A 662 -9.603 -10.837 -4.180 1.00 0.00 C ATOM 1262 CG LYS A 662 -8.713 -10.817 -2.942 1.00 0.00 C ATOM 1263 CD LYS A 662 -9.493 -11.074 -1.658 1.00 0.00 C ATOM 1264 CE LYS A 662 -10.025 -12.500 -1.583 1.00 0.00 C ATOM 1265 NZ LYS A 662 -8.933 -13.509 -1.536 1.00 0.00 N ATOM 0 H LYS A 662 -8.309 -8.701 -4.509 1.00 0.00 H new ATOM 0 HA LYS A 662 -10.785 -9.672 -5.498 1.00 0.00 H new ATOM 0 HB2 LYS A 662 -10.397 -11.567 -4.022 1.00 0.00 H new ATOM 0 HB3 LYS A 662 -9.010 -11.189 -5.024 1.00 0.00 H new ATOM 0 HG2 LYS A 662 -7.933 -11.571 -3.047 1.00 0.00 H new ATOM 0 HG3 LYS A 662 -8.214 -9.850 -2.873 1.00 0.00 H new ATOM 0 HD2 LYS A 662 -8.849 -10.883 -0.799 1.00 0.00 H new ATOM 0 HD3 LYS A 662 -10.326 -10.374 -1.594 1.00 0.00 H new ATOM 0 HE2 LYS A 662 -10.652 -12.605 -0.698 1.00 0.00 H new ATOM 0 HE3 LYS A 662 -10.659 -12.695 -2.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 662 -9.323 -14.430 -1.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 662 -8.499 -13.594 -2.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 662 -8.213 -13.209 -0.848 1.00 0.00 H new ATOM 1279 N GLU A 663 -10.805 -8.257 -2.539 1.00 0.00 N ATOM 1280 CA GLU A 663 -11.698 -7.663 -1.551 1.00 0.00 C ATOM 1281 C GLU A 663 -12.675 -6.696 -2.208 1.00 0.00 C ATOM 1282 O GLU A 663 -13.871 -6.753 -1.944 1.00 0.00 O ATOM 1283 CB GLU A 663 -10.907 -6.922 -0.475 1.00 0.00 C ATOM 1284 CG GLU A 663 -10.215 -7.835 0.520 1.00 0.00 C ATOM 1285 CD GLU A 663 -11.198 -8.532 1.434 1.00 0.00 C ATOM 1286 OE1 GLU A 663 -11.714 -9.604 1.056 1.00 0.00 O ATOM 1287 OE2 GLU A 663 -11.468 -8.005 2.534 1.00 0.00 O ATOM 0 H GLU A 663 -9.817 -8.045 -2.398 1.00 0.00 H new ATOM 0 HA GLU A 663 -12.257 -8.477 -1.089 1.00 0.00 H new ATOM 0 HB2 GLU A 663 -10.159 -6.293 -0.957 1.00 0.00 H new ATOM 0 HB3 GLU A 663 -11.582 -6.258 0.065 1.00 0.00 H new ATOM 0 HG2 GLU A 663 -9.631 -8.581 -0.019 1.00 0.00 H new ATOM 0 HG3 GLU A 663 -9.514 -7.253 1.119 1.00 0.00 H new ATOM 1294 N LEU A 664 -12.161 -5.823 -3.075 1.00 0.00 N ATOM 1295 CA LEU A 664 -12.980 -4.785 -3.703 1.00 0.00 C ATOM 1296 C LEU A 664 -14.185 -5.388 -4.421 1.00 0.00 C ATOM 1297 O LEU A 664 -15.313 -4.945 -4.219 1.00 0.00 O ATOM 1298 CB LEU A 664 -12.148 -3.950 -4.688 1.00 0.00 C ATOM 1299 CG LEU A 664 -10.949 -3.215 -4.083 1.00 0.00 C ATOM 1300 CD1 LEU A 664 -10.152 -2.516 -5.173 1.00 0.00 C ATOM 1301 CD2 LEU A 664 -11.405 -2.213 -3.034 1.00 0.00 C ATOM 0 H LEU A 664 -11.181 -5.814 -3.359 1.00 0.00 H new ATOM 0 HA LEU A 664 -13.343 -4.133 -2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 664 -11.787 -4.607 -5.479 1.00 0.00 H new ATOM 0 HB3 LEU A 664 -12.803 -3.216 -5.157 1.00 0.00 H new ATOM 0 HG LEU A 664 -10.306 -3.949 -3.597 1.00 0.00 H new ATOM 0 HD11 LEU A 664 -9.303 -1.998 -4.727 1.00 0.00 H new ATOM 0 HD12 LEU A 664 -9.791 -3.254 -5.890 1.00 0.00 H new ATOM 0 HD13 LEU A 664 -10.790 -1.795 -5.684 1.00 0.00 H new ATOM 0 HD21 LEU A 664 -10.537 -1.702 -2.617 1.00 0.00 H new ATOM 0 HD22 LEU A 664 -12.070 -1.482 -3.494 1.00 0.00 H new ATOM 0 HD23 LEU A 664 -11.935 -2.736 -2.238 1.00 0.00 H new ATOM 1313 N GLU A 665 -13.949 -6.414 -5.235 1.00 0.00 N ATOM 1314 CA GLU A 665 -15.027 -7.065 -5.971 1.00 0.00 C ATOM 1315 C GLU A 665 -15.997 -7.763 -5.014 1.00 0.00 C ATOM 1316 O GLU A 665 -17.210 -7.757 -5.234 1.00 0.00 O ATOM 1317 CB GLU A 665 -14.472 -8.042 -7.015 1.00 0.00 C ATOM 1318 CG GLU A 665 -13.472 -9.042 -6.467 1.00 0.00 C ATOM 1319 CD GLU A 665 -12.896 -9.933 -7.544 1.00 0.00 C ATOM 1320 OE1 GLU A 665 -11.899 -9.535 -8.183 1.00 0.00 O ATOM 1321 OE2 GLU A 665 -13.440 -11.037 -7.762 1.00 0.00 O ATOM 0 H GLU A 665 -13.024 -6.811 -5.401 1.00 0.00 H new ATOM 0 HA GLU A 665 -15.583 -6.295 -6.506 1.00 0.00 H new ATOM 0 HB2 GLU A 665 -15.303 -8.586 -7.464 1.00 0.00 H new ATOM 0 HB3 GLU A 665 -13.997 -7.471 -7.813 1.00 0.00 H new ATOM 0 HG2 GLU A 665 -12.662 -8.507 -5.971 1.00 0.00 H new ATOM 0 HG3 GLU A 665 -13.957 -9.659 -5.710 1.00 0.00 H new ATOM 1328 N GLU A 666 -15.456 -8.363 -3.959 1.00 0.00 N ATOM 1329 CA GLU A 666 -16.270 -9.040 -2.956 1.00 0.00 C ATOM 1330 C GLU A 666 -17.175 -8.040 -2.236 1.00 0.00 C ATOM 1331 O GLU A 666 -18.354 -8.296 -2.027 1.00 0.00 O ATOM 1332 CB GLU A 666 -15.374 -9.756 -1.944 1.00 0.00 C ATOM 1333 CG GLU A 666 -16.131 -10.653 -0.978 1.00 0.00 C ATOM 1334 CD GLU A 666 -16.839 -11.790 -1.683 1.00 0.00 C ATOM 1335 OE1 GLU A 666 -16.160 -12.759 -2.086 1.00 0.00 O ATOM 1336 OE2 GLU A 666 -18.071 -11.717 -1.851 1.00 0.00 O ATOM 0 H GLU A 666 -14.453 -8.394 -3.776 1.00 0.00 H new ATOM 0 HA GLU A 666 -16.895 -9.777 -3.460 1.00 0.00 H new ATOM 0 HB2 GLU A 666 -14.641 -10.356 -2.483 1.00 0.00 H new ATOM 0 HB3 GLU A 666 -14.819 -9.011 -1.374 1.00 0.00 H new ATOM 0 HG2 GLU A 666 -15.436 -11.061 -0.244 1.00 0.00 H new ATOM 0 HG3 GLU A 666 -16.861 -10.058 -0.430 1.00 0.00 H new ATOM 1531 N LEU B 845 -5.418 -6.383 4.122 1.00 0.00 N ATOM 1532 CA LEU B 845 -5.681 -5.019 4.546 1.00 0.00 C ATOM 1533 C LEU B 845 -7.036 -4.950 5.247 1.00 0.00 C ATOM 1534 O LEU B 845 -8.049 -5.411 4.718 1.00 0.00 O ATOM 1535 CB LEU B 845 -5.596 -4.050 3.360 1.00 0.00 C ATOM 1536 CG LEU B 845 -4.194 -3.918 2.744 1.00 0.00 C ATOM 1537 CD1 LEU B 845 -3.984 -4.921 1.616 1.00 0.00 C ATOM 1538 CD2 LEU B 845 -3.952 -2.500 2.258 1.00 0.00 C ATOM 0 HA LEU B 845 -4.916 -4.711 5.259 1.00 0.00 H new ATOM 0 HB2 LEU B 845 -6.289 -4.381 2.587 1.00 0.00 H new ATOM 0 HB3 LEU B 845 -5.930 -3.065 3.687 1.00 0.00 H new ATOM 0 HG LEU B 845 -3.467 -4.143 3.524 1.00 0.00 H new ATOM 0 HD11 LEU B 845 -2.983 -4.800 1.203 1.00 0.00 H new ATOM 0 HD12 LEU B 845 -4.097 -5.933 2.004 1.00 0.00 H new ATOM 0 HD13 LEU B 845 -4.722 -4.748 0.833 1.00 0.00 H new ATOM 0 HD21 LEU B 845 -2.954 -2.429 1.826 1.00 0.00 H new ATOM 0 HD22 LEU B 845 -4.694 -2.243 1.502 1.00 0.00 H new ATOM 0 HD23 LEU B 845 -4.034 -1.809 3.097 1.00 0.00 H new ATOM 1550 N PRO B 846 -7.045 -4.374 6.461 1.00 0.00 N ATOM 1551 CA PRO B 846 -8.176 -4.455 7.399 1.00 0.00 C ATOM 1552 C PRO B 846 -9.474 -3.818 6.901 1.00 0.00 C ATOM 1553 O PRO B 846 -9.476 -2.897 6.079 1.00 0.00 O ATOM 1554 CB PRO B 846 -7.670 -3.709 8.638 1.00 0.00 C ATOM 1555 CG PRO B 846 -6.568 -2.840 8.146 1.00 0.00 C ATOM 1556 CD PRO B 846 -5.931 -3.590 7.019 1.00 0.00 C ATOM 0 HA PRO B 846 -8.448 -5.497 7.567 1.00 0.00 H new ATOM 0 HB2 PRO B 846 -8.464 -3.118 9.094 1.00 0.00 H new ATOM 0 HB3 PRO B 846 -7.314 -4.404 9.398 1.00 0.00 H new ATOM 0 HG2 PRO B 846 -6.950 -1.877 7.808 1.00 0.00 H new ATOM 0 HG3 PRO B 846 -5.847 -2.637 8.938 1.00 0.00 H new ATOM 0 HD2 PRO B 846 -5.503 -2.915 6.278 1.00 0.00 H new ATOM 0 HD3 PRO B 846 -5.123 -4.232 7.369 1.00 0.00 H new ATOM 1564 N SER B 847 -10.569 -4.333 7.459 1.00 0.00 N ATOM 1565 CA SER B 847 -11.926 -3.879 7.180 1.00 0.00 C ATOM 1566 C SER B 847 -12.076 -2.380 7.422 1.00 0.00 C ATOM 1567 O SER B 847 -12.807 -1.702 6.705 1.00 0.00 O ATOM 1568 CB SER B 847 -12.904 -4.656 8.060 1.00 0.00 C ATOM 1569 OG SER B 847 -12.719 -6.053 7.895 1.00 0.00 O ATOM 0 H SER B 847 -10.533 -5.097 8.134 1.00 0.00 H new ATOM 0 HA SER B 847 -12.145 -4.064 6.128 1.00 0.00 H new ATOM 0 HB2 SER B 847 -12.756 -4.385 9.105 1.00 0.00 H new ATOM 0 HB3 SER B 847 -13.928 -4.386 7.802 1.00 0.00 H new ATOM 0 HG SER B 847 -13.352 -6.536 8.466 1.00 0.00 H new ATOM 1575 N ASP B 848 -11.402 -1.880 8.452 1.00 0.00 N ATOM 1576 CA ASP B 848 -11.456 -0.456 8.792 1.00 0.00 C ATOM 1577 C ASP B 848 -11.076 0.419 7.597 1.00 0.00 C ATOM 1578 O ASP B 848 -11.781 1.371 7.270 1.00 0.00 O ATOM 1579 CB ASP B 848 -10.526 -0.144 9.968 1.00 0.00 C ATOM 1580 CG ASP B 848 -10.606 1.309 10.387 1.00 0.00 C ATOM 1581 OD1 ASP B 848 -11.687 1.742 10.838 1.00 0.00 O ATOM 1582 OD2 ASP B 848 -9.589 2.021 10.263 1.00 0.00 O ATOM 0 H ASP B 848 -10.810 -2.437 9.069 1.00 0.00 H new ATOM 0 HA ASP B 848 -12.484 -0.230 9.075 1.00 0.00 H new ATOM 0 HB2 ASP B 848 -10.786 -0.780 10.814 1.00 0.00 H new ATOM 0 HB3 ASP B 848 -9.500 -0.385 9.692 1.00 0.00 H new ATOM 1587 N ILE B 849 -9.962 0.098 6.946 1.00 0.00 N ATOM 1588 CA ILE B 849 -9.543 0.836 5.758 1.00 0.00 C ATOM 1589 C ILE B 849 -10.544 0.625 4.623 1.00 0.00 C ATOM 1590 O ILE B 849 -10.834 1.544 3.857 1.00 0.00 O ATOM 1591 CB ILE B 849 -8.118 0.461 5.289 1.00 0.00 C ATOM 1592 CG1 ILE B 849 -7.137 0.537 6.468 1.00 0.00 C ATOM 1593 CG2 ILE B 849 -7.678 1.401 4.171 1.00 0.00 C ATOM 1594 CD1 ILE B 849 -7.002 1.919 7.082 1.00 0.00 C ATOM 0 H ILE B 849 -9.338 -0.661 7.218 1.00 0.00 H new ATOM 0 HA ILE B 849 -9.519 1.890 6.034 1.00 0.00 H new ATOM 0 HB ILE B 849 -8.124 -0.560 4.909 1.00 0.00 H new ATOM 0 HG12 ILE B 849 -7.461 -0.161 7.240 1.00 0.00 H new ATOM 0 HG13 ILE B 849 -6.155 0.205 6.130 1.00 0.00 H new ATOM 0 HG21 ILE B 849 -6.673 1.133 3.844 1.00 0.00 H new ATOM 0 HG22 ILE B 849 -8.368 1.316 3.331 1.00 0.00 H new ATOM 0 HG23 ILE B 849 -7.678 2.428 4.538 1.00 0.00 H new ATOM 0 HD11 ILE B 849 -6.291 1.883 7.907 1.00 0.00 H new ATOM 0 HD12 ILE B 849 -6.646 2.620 6.327 1.00 0.00 H new ATOM 0 HD13 ILE B 849 -7.972 2.248 7.454 1.00 0.00 H new ATOM 1606 N MET B 850 -11.055 -0.600 4.516 1.00 0.00 N ATOM 1607 CA MET B 850 -12.105 -0.920 3.550 1.00 0.00 C ATOM 1608 C MET B 850 -13.301 0.013 3.737 1.00 0.00 C ATOM 1609 O MET B 850 -13.914 0.451 2.764 1.00 0.00 O ATOM 1610 CB MET B 850 -12.566 -2.378 3.707 1.00 0.00 C ATOM 1611 CG MET B 850 -11.503 -3.423 3.386 1.00 0.00 C ATOM 1612 SD MET B 850 -11.451 -3.890 1.640 1.00 0.00 S ATOM 1613 CE MET B 850 -10.725 -2.432 0.891 1.00 0.00 C ATOM 0 H MET B 850 -10.758 -1.390 5.089 1.00 0.00 H new ATOM 0 HA MET B 850 -11.693 -0.785 2.550 1.00 0.00 H new ATOM 0 HB2 MET B 850 -12.906 -2.529 4.732 1.00 0.00 H new ATOM 0 HB3 MET B 850 -13.426 -2.544 3.059 1.00 0.00 H new ATOM 0 HG2 MET B 850 -10.527 -3.038 3.680 1.00 0.00 H new ATOM 0 HG3 MET B 850 -11.688 -4.314 3.986 1.00 0.00 H new ATOM 0 HE1 MET B 850 -10.173 -2.719 -0.004 1.00 0.00 H new ATOM 0 HE2 MET B 850 -11.514 -1.730 0.621 1.00 0.00 H new ATOM 0 HE3 MET B 850 -10.046 -1.959 1.600 1.00 0.00 H new