USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=19 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 631 TYR OH : rot 15:sc= 1.05 USER MOD Set 1.2: A 656 LYS NZ :NH3+ 153:sc= 1.01 (180deg=-0.0395) USER MOD Single : A 594 HIS : no HD1:sc= -0.0107 X(o=-0.011,f=-0.011) USER MOD Single : A 596 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 597 GLN : amide:sc= -0.643 K(o=-0.64,f=-2) USER MOD Single : A 601 SER OG : rot 2:sc= 0.0351 USER MOD Single : A 602 HIS : no HD1:sc= -0.162 X(o=-0.16,f=-0.002) USER MOD Single : A 605 HIS : no HD1:sc= -0.32 X(o=-0.32,f=0.058) USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 609 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.28) USER MOD Single : A 614 THR OG1 : rot 42:sc= 0.0932 USER MOD Single : A 621 LYS NZ :NH3+ -127:sc= -0.414 (180deg=-1.94!) USER MOD Single : A 625 MET CE :methyl 161:sc= -0.491 (180deg=-1.18) USER MOD Single : A 627 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 633 LYS NZ :NH3+ 155:sc= -1.05 (180deg=-2.99!) USER MOD Single : A 634 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.146) USER MOD Single : A 639 MET CE :methyl 162:sc= -0.376 (180deg=-1.17) USER MOD Single : A 640 TYR OH : rot 180:sc= 0.177 USER MOD Single : A 642 SER OG : rot 180:sc= 0 USER MOD Single : A 644 ASN : amide:sc= 0.296 X(o=0.3,f=-0.021) USER MOD Single : A 645 SER OG : rot 180:sc= -0.216 USER MOD Single : A 649 TYR OH : rot 165:sc= 0 USER MOD Single : A 650 TYR OH : rot 180:sc= -0.357 USER MOD Single : A 651 HIS : no HD1:sc= -0.328 X(o=-0.33,f=-0.018) USER MOD Single : A 658 TYR OH : rot 180:sc= 0 USER MOD Single : A 659 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 661 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 662 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 847 SER OG : rot 53:sc= 0.0102 USER MOD Single : B 850 MET CE :methyl 158:sc= -3.52! (180deg=-5.17!) USER MOD ----------------------------------------------------------------- ATOM 134 N HIS A 594 20.889 -1.267 -3.238 1.00 0.00 N ATOM 135 CA HIS A 594 20.377 -1.507 -4.590 1.00 0.00 C ATOM 136 C HIS A 594 18.882 -1.192 -4.706 1.00 0.00 C ATOM 137 O HIS A 594 18.201 -1.677 -5.610 1.00 0.00 O ATOM 138 CB HIS A 594 20.666 -2.949 -5.039 1.00 0.00 C ATOM 139 CG HIS A 594 20.080 -4.012 -4.159 1.00 0.00 C ATOM 140 ND1 HIS A 594 19.020 -4.800 -4.536 1.00 0.00 N ATOM 141 CD2 HIS A 594 20.432 -4.431 -2.919 1.00 0.00 C ATOM 142 CE1 HIS A 594 18.741 -5.654 -3.569 1.00 0.00 C ATOM 143 NE2 HIS A 594 19.585 -5.453 -2.574 1.00 0.00 N ATOM 0 HA HIS A 594 20.904 -0.824 -5.257 1.00 0.00 H new ATOM 0 HB2 HIS A 594 20.283 -3.083 -6.051 1.00 0.00 H new ATOM 0 HB3 HIS A 594 21.746 -3.090 -5.086 1.00 0.00 H new ATOM 0 HD2 HIS A 594 21.233 -4.033 -2.313 1.00 0.00 H new ATOM 0 HE1 HIS A 594 17.954 -6.393 -3.589 1.00 0.00 H new ATOM 0 HE2 HIS A 594 19.604 -5.971 -1.696 1.00 0.00 H new ATOM 152 N VAL A 595 18.378 -0.378 -3.790 1.00 0.00 N ATOM 153 CA VAL A 595 17.030 0.152 -3.898 1.00 0.00 C ATOM 154 C VAL A 595 17.082 1.665 -3.747 1.00 0.00 C ATOM 155 O VAL A 595 17.663 2.178 -2.787 1.00 0.00 O ATOM 156 CB VAL A 595 16.085 -0.423 -2.817 1.00 0.00 C ATOM 157 CG1 VAL A 595 14.696 0.200 -2.919 1.00 0.00 C ATOM 158 CG2 VAL A 595 15.999 -1.940 -2.907 1.00 0.00 C ATOM 0 H VAL A 595 18.886 -0.070 -2.961 1.00 0.00 H new ATOM 0 HA VAL A 595 16.637 -0.136 -4.873 1.00 0.00 H new ATOM 0 HB VAL A 595 16.505 -0.168 -1.844 1.00 0.00 H new ATOM 0 HG11 VAL A 595 14.051 -0.221 -2.148 1.00 0.00 H new ATOM 0 HG12 VAL A 595 14.770 1.279 -2.781 1.00 0.00 H new ATOM 0 HG13 VAL A 595 14.273 -0.012 -3.901 1.00 0.00 H new ATOM 0 HG21 VAL A 595 15.327 -2.313 -2.134 1.00 0.00 H new ATOM 0 HG22 VAL A 595 15.618 -2.225 -3.887 1.00 0.00 H new ATOM 0 HG23 VAL A 595 16.990 -2.370 -2.764 1.00 0.00 H new ATOM 168 N THR A 596 16.462 2.375 -4.671 1.00 0.00 N ATOM 169 CA THR A 596 16.461 3.824 -4.627 1.00 0.00 C ATOM 170 C THR A 596 15.263 4.349 -3.838 1.00 0.00 C ATOM 171 O THR A 596 14.283 3.628 -3.636 1.00 0.00 O ATOM 172 CB THR A 596 16.485 4.420 -6.057 1.00 0.00 C ATOM 173 OG1 THR A 596 16.348 5.844 -6.018 1.00 0.00 O ATOM 174 CG2 THR A 596 15.386 3.821 -6.922 1.00 0.00 C ATOM 0 H THR A 596 15.954 1.973 -5.459 1.00 0.00 H new ATOM 0 HA THR A 596 17.367 4.144 -4.112 1.00 0.00 H new ATOM 0 HB THR A 596 17.449 4.169 -6.499 1.00 0.00 H new ATOM 0 HG1 THR A 596 16.367 6.200 -6.931 1.00 0.00 H new ATOM 0 HG21 THR A 596 15.429 4.259 -7.919 1.00 0.00 H new ATOM 0 HG22 THR A 596 15.526 2.742 -6.993 1.00 0.00 H new ATOM 0 HG23 THR A 596 14.415 4.032 -6.474 1.00 0.00 H new ATOM 182 N GLN A 597 15.349 5.593 -3.382 1.00 0.00 N ATOM 183 CA GLN A 597 14.275 6.202 -2.612 1.00 0.00 C ATOM 184 C GLN A 597 13.022 6.333 -3.474 1.00 0.00 C ATOM 185 O GLN A 597 11.906 6.092 -3.011 1.00 0.00 O ATOM 186 CB GLN A 597 14.710 7.571 -2.085 1.00 0.00 C ATOM 187 CG GLN A 597 13.711 8.206 -1.133 1.00 0.00 C ATOM 188 CD GLN A 597 13.417 7.327 0.063 1.00 0.00 C ATOM 189 OE1 GLN A 597 12.494 6.514 0.039 1.00 0.00 O ATOM 190 NE2 GLN A 597 14.197 7.480 1.118 1.00 0.00 N ATOM 0 H GLN A 597 16.155 6.200 -3.534 1.00 0.00 H new ATOM 0 HA GLN A 597 14.046 5.563 -1.759 1.00 0.00 H new ATOM 0 HB2 GLN A 597 15.668 7.466 -1.575 1.00 0.00 H new ATOM 0 HB3 GLN A 597 14.870 8.241 -2.930 1.00 0.00 H new ATOM 0 HG2 GLN A 597 14.099 9.165 -0.789 1.00 0.00 H new ATOM 0 HG3 GLN A 597 12.783 8.411 -1.667 1.00 0.00 H new ATOM 0 HE21 GLN A 597 14.952 8.165 1.099 1.00 0.00 H new ATOM 0 HE22 GLN A 597 14.044 6.913 1.952 1.00 0.00 H new ATOM 199 N ASP A 598 13.229 6.696 -4.737 1.00 0.00 N ATOM 200 CA ASP A 598 12.129 6.852 -5.687 1.00 0.00 C ATOM 201 C ASP A 598 11.316 5.566 -5.791 1.00 0.00 C ATOM 202 O ASP A 598 10.089 5.605 -5.847 1.00 0.00 O ATOM 203 CB ASP A 598 12.642 7.253 -7.071 1.00 0.00 C ATOM 204 CG ASP A 598 11.520 7.352 -8.089 1.00 0.00 C ATOM 205 OD1 ASP A 598 10.820 8.389 -8.109 1.00 0.00 O ATOM 206 OD2 ASP A 598 11.336 6.398 -8.876 1.00 0.00 O ATOM 0 H ASP A 598 14.151 6.888 -5.128 1.00 0.00 H new ATOM 0 HA ASP A 598 11.486 7.649 -5.313 1.00 0.00 H new ATOM 0 HB2 ASP A 598 13.155 8.212 -7.003 1.00 0.00 H new ATOM 0 HB3 ASP A 598 13.376 6.522 -7.411 1.00 0.00 H new ATOM 211 N LEU A 599 12.008 4.430 -5.805 1.00 0.00 N ATOM 212 CA LEU A 599 11.351 3.132 -5.865 1.00 0.00 C ATOM 213 C LEU A 599 10.439 2.949 -4.659 1.00 0.00 C ATOM 214 O LEU A 599 9.294 2.518 -4.785 1.00 0.00 O ATOM 215 CB LEU A 599 12.392 2.000 -5.897 1.00 0.00 C ATOM 216 CG LEU A 599 11.866 0.668 -6.426 1.00 0.00 C ATOM 217 CD1 LEU A 599 11.418 0.823 -7.866 1.00 0.00 C ATOM 218 CD2 LEU A 599 12.926 -0.418 -6.304 1.00 0.00 C ATOM 0 H LEU A 599 13.027 4.385 -5.775 1.00 0.00 H new ATOM 0 HA LEU A 599 10.756 3.092 -6.778 1.00 0.00 H new ATOM 0 HB2 LEU A 599 13.233 2.315 -6.515 1.00 0.00 H new ATOM 0 HB3 LEU A 599 12.777 1.849 -4.888 1.00 0.00 H new ATOM 0 HG LEU A 599 11.009 0.367 -5.824 1.00 0.00 H new ATOM 0 HD11 LEU A 599 11.044 -0.132 -8.236 1.00 0.00 H new ATOM 0 HD12 LEU A 599 10.625 1.569 -7.922 1.00 0.00 H new ATOM 0 HD13 LEU A 599 12.262 1.143 -8.477 1.00 0.00 H new ATOM 0 HD21 LEU A 599 12.529 -1.358 -6.687 1.00 0.00 H new ATOM 0 HD22 LEU A 599 13.806 -0.134 -6.881 1.00 0.00 H new ATOM 0 HD23 LEU A 599 13.203 -0.540 -5.257 1.00 0.00 H new ATOM 230 N ARG A 600 10.957 3.313 -3.497 1.00 0.00 N ATOM 231 CA ARG A 600 10.255 3.118 -2.237 1.00 0.00 C ATOM 232 C ARG A 600 8.983 3.959 -2.190 1.00 0.00 C ATOM 233 O ARG A 600 7.907 3.454 -1.874 1.00 0.00 O ATOM 234 CB ARG A 600 11.177 3.479 -1.064 1.00 0.00 C ATOM 235 CG ARG A 600 12.501 2.727 -1.083 1.00 0.00 C ATOM 236 CD ARG A 600 13.479 3.260 -0.047 1.00 0.00 C ATOM 237 NE ARG A 600 14.858 2.899 -0.384 1.00 0.00 N ATOM 238 CZ ARG A 600 15.823 2.691 0.511 1.00 0.00 C ATOM 239 NH1 ARG A 600 15.567 2.797 1.807 1.00 0.00 N ATOM 240 NH2 ARG A 600 17.050 2.382 0.105 1.00 0.00 N ATOM 0 H ARG A 600 11.873 3.751 -3.400 1.00 0.00 H new ATOM 0 HA ARG A 600 9.971 2.069 -2.156 1.00 0.00 H new ATOM 0 HB2 ARG A 600 11.376 4.551 -1.084 1.00 0.00 H new ATOM 0 HB3 ARG A 600 10.661 3.268 -0.127 1.00 0.00 H new ATOM 0 HG2 ARG A 600 12.318 1.669 -0.897 1.00 0.00 H new ATOM 0 HG3 ARG A 600 12.947 2.804 -2.075 1.00 0.00 H new ATOM 0 HD2 ARG A 600 13.390 4.344 0.017 1.00 0.00 H new ATOM 0 HD3 ARG A 600 13.226 2.861 0.935 1.00 0.00 H new ATOM 0 HE ARG A 600 15.096 2.800 -1.371 1.00 0.00 H new ATOM 0 HH11 ARG A 600 14.628 3.039 2.123 1.00 0.00 H new ATOM 0 HH12 ARG A 600 16.309 2.637 2.488 1.00 0.00 H new ATOM 0 HH21 ARG A 600 17.253 2.304 -0.892 1.00 0.00 H new ATOM 0 HH22 ARG A 600 17.789 2.223 0.790 1.00 0.00 H new ATOM 254 N SER A 601 9.113 5.241 -2.509 1.00 0.00 N ATOM 255 CA SER A 601 7.977 6.154 -2.493 1.00 0.00 C ATOM 256 C SER A 601 6.947 5.792 -3.564 1.00 0.00 C ATOM 257 O SER A 601 5.740 5.820 -3.311 1.00 0.00 O ATOM 258 CB SER A 601 8.460 7.596 -2.670 1.00 0.00 C ATOM 259 OG SER A 601 9.314 7.717 -3.798 1.00 0.00 O ATOM 0 H SER A 601 9.996 5.673 -2.782 1.00 0.00 H new ATOM 0 HA SER A 601 7.484 6.062 -1.525 1.00 0.00 H new ATOM 0 HB2 SER A 601 7.602 8.258 -2.788 1.00 0.00 H new ATOM 0 HB3 SER A 601 8.990 7.917 -1.773 1.00 0.00 H new ATOM 0 HG SER A 601 9.390 6.848 -4.245 1.00 0.00 H new ATOM 265 N HIS A 602 7.430 5.440 -4.752 1.00 0.00 N ATOM 266 CA HIS A 602 6.560 5.162 -5.893 1.00 0.00 C ATOM 267 C HIS A 602 5.632 3.985 -5.598 1.00 0.00 C ATOM 268 O HIS A 602 4.438 4.029 -5.900 1.00 0.00 O ATOM 269 CB HIS A 602 7.402 4.861 -7.137 1.00 0.00 C ATOM 270 CG HIS A 602 6.705 5.151 -8.431 1.00 0.00 C ATOM 271 ND1 HIS A 602 7.224 5.994 -9.389 1.00 0.00 N ATOM 272 CD2 HIS A 602 5.531 4.700 -8.929 1.00 0.00 C ATOM 273 CE1 HIS A 602 6.400 6.049 -10.416 1.00 0.00 C ATOM 274 NE2 HIS A 602 5.364 5.273 -10.164 1.00 0.00 N ATOM 0 H HIS A 602 8.425 5.340 -4.951 1.00 0.00 H new ATOM 0 HA HIS A 602 5.949 6.046 -6.077 1.00 0.00 H new ATOM 0 HB2 HIS A 602 8.320 5.447 -7.092 1.00 0.00 H new ATOM 0 HB3 HIS A 602 7.693 3.811 -7.121 1.00 0.00 H new ATOM 0 HD2 HIS A 602 4.851 4.015 -8.444 1.00 0.00 H new ATOM 0 HE1 HIS A 602 6.548 6.632 -11.313 1.00 0.00 H new ATOM 0 HE2 HIS A 602 4.569 5.123 -10.785 1.00 0.00 H new ATOM 283 N LEU A 603 6.192 2.938 -5.008 1.00 0.00 N ATOM 284 CA LEU A 603 5.433 1.734 -4.684 1.00 0.00 C ATOM 285 C LEU A 603 4.298 2.026 -3.709 1.00 0.00 C ATOM 286 O LEU A 603 3.219 1.443 -3.818 1.00 0.00 O ATOM 287 CB LEU A 603 6.347 0.641 -4.133 1.00 0.00 C ATOM 288 CG LEU A 603 7.452 0.183 -5.092 1.00 0.00 C ATOM 289 CD1 LEU A 603 8.354 -0.842 -4.427 1.00 0.00 C ATOM 290 CD2 LEU A 603 6.852 -0.387 -6.370 1.00 0.00 C ATOM 0 H LEU A 603 7.176 2.897 -4.742 1.00 0.00 H new ATOM 0 HA LEU A 603 4.987 1.375 -5.612 1.00 0.00 H new ATOM 0 HB2 LEU A 603 6.809 1.002 -3.214 1.00 0.00 H new ATOM 0 HB3 LEU A 603 5.737 -0.222 -3.865 1.00 0.00 H new ATOM 0 HG LEU A 603 8.056 1.053 -5.352 1.00 0.00 H new ATOM 0 HD11 LEU A 603 9.130 -1.152 -5.127 1.00 0.00 H new ATOM 0 HD12 LEU A 603 8.817 -0.401 -3.544 1.00 0.00 H new ATOM 0 HD13 LEU A 603 7.764 -1.710 -4.132 1.00 0.00 H new ATOM 0 HD21 LEU A 603 7.653 -0.706 -7.037 1.00 0.00 H new ATOM 0 HD22 LEU A 603 6.221 -1.241 -6.126 1.00 0.00 H new ATOM 0 HD23 LEU A 603 6.252 0.378 -6.863 1.00 0.00 H new ATOM 302 N VAL A 604 4.538 2.923 -2.759 1.00 0.00 N ATOM 303 CA VAL A 604 3.525 3.281 -1.771 1.00 0.00 C ATOM 304 C VAL A 604 2.278 3.827 -2.462 1.00 0.00 C ATOM 305 O VAL A 604 1.150 3.508 -2.085 1.00 0.00 O ATOM 306 CB VAL A 604 4.053 4.327 -0.764 1.00 0.00 C ATOM 307 CG1 VAL A 604 2.941 4.814 0.150 1.00 0.00 C ATOM 308 CG2 VAL A 604 5.187 3.747 0.062 1.00 0.00 C ATOM 0 H VAL A 604 5.425 3.416 -2.652 1.00 0.00 H new ATOM 0 HA VAL A 604 3.273 2.374 -1.222 1.00 0.00 H new ATOM 0 HB VAL A 604 4.429 5.178 -1.333 1.00 0.00 H new ATOM 0 HG11 VAL A 604 3.340 5.549 0.849 1.00 0.00 H new ATOM 0 HG12 VAL A 604 2.153 5.272 -0.448 1.00 0.00 H new ATOM 0 HG13 VAL A 604 2.531 3.971 0.706 1.00 0.00 H new ATOM 0 HG21 VAL A 604 5.546 4.498 0.765 1.00 0.00 H new ATOM 0 HG22 VAL A 604 4.828 2.877 0.612 1.00 0.00 H new ATOM 0 HG23 VAL A 604 6.002 3.449 -0.598 1.00 0.00 H new ATOM 318 N HIS A 605 2.496 4.633 -3.495 1.00 0.00 N ATOM 319 CA HIS A 605 1.394 5.221 -4.255 1.00 0.00 C ATOM 320 C HIS A 605 0.573 4.132 -4.926 1.00 0.00 C ATOM 321 O HIS A 605 -0.648 4.218 -4.981 1.00 0.00 O ATOM 322 CB HIS A 605 1.897 6.215 -5.309 1.00 0.00 C ATOM 323 CG HIS A 605 2.467 7.476 -4.736 1.00 0.00 C ATOM 324 ND1 HIS A 605 2.155 8.727 -5.219 1.00 0.00 N ATOM 325 CD2 HIS A 605 3.344 7.676 -3.725 1.00 0.00 C ATOM 326 CE1 HIS A 605 2.815 9.639 -4.532 1.00 0.00 C ATOM 327 NE2 HIS A 605 3.542 9.029 -3.616 1.00 0.00 N ATOM 0 H HIS A 605 3.424 4.895 -3.827 1.00 0.00 H new ATOM 0 HA HIS A 605 0.767 5.766 -3.550 1.00 0.00 H new ATOM 0 HB2 HIS A 605 2.659 5.728 -5.918 1.00 0.00 H new ATOM 0 HB3 HIS A 605 1.073 6.471 -5.975 1.00 0.00 H new ATOM 0 HD2 HIS A 605 3.803 6.911 -3.116 1.00 0.00 H new ATOM 0 HE1 HIS A 605 2.768 10.706 -4.692 1.00 0.00 H new ATOM 0 HE2 HIS A 605 4.151 9.488 -2.938 1.00 0.00 H new ATOM 336 N LYS A 606 1.256 3.108 -5.435 1.00 0.00 N ATOM 337 CA LYS A 606 0.589 1.986 -6.087 1.00 0.00 C ATOM 338 C LYS A 606 -0.419 1.341 -5.142 1.00 0.00 C ATOM 339 O LYS A 606 -1.547 1.039 -5.531 1.00 0.00 O ATOM 340 CB LYS A 606 1.616 0.941 -6.533 1.00 0.00 C ATOM 341 CG LYS A 606 2.597 1.442 -7.583 1.00 0.00 C ATOM 342 CD LYS A 606 1.898 1.765 -8.892 1.00 0.00 C ATOM 343 CE LYS A 606 2.889 2.179 -9.968 1.00 0.00 C ATOM 344 NZ LYS A 606 2.217 2.464 -11.264 1.00 0.00 N ATOM 0 H LYS A 606 2.273 3.034 -5.408 1.00 0.00 H new ATOM 0 HA LYS A 606 0.062 2.366 -6.962 1.00 0.00 H new ATOM 0 HB2 LYS A 606 2.175 0.602 -5.661 1.00 0.00 H new ATOM 0 HB3 LYS A 606 1.087 0.074 -6.929 1.00 0.00 H new ATOM 0 HG2 LYS A 606 3.105 2.332 -7.212 1.00 0.00 H new ATOM 0 HG3 LYS A 606 3.363 0.686 -7.756 1.00 0.00 H new ATOM 0 HD2 LYS A 606 1.336 0.894 -9.230 1.00 0.00 H new ATOM 0 HD3 LYS A 606 1.177 2.567 -8.732 1.00 0.00 H new ATOM 0 HE2 LYS A 606 3.433 3.065 -9.639 1.00 0.00 H new ATOM 0 HE3 LYS A 606 3.625 1.387 -10.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 2.928 2.743 -11.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 1.719 1.612 -11.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 1.533 3.237 -11.138 1.00 0.00 H new ATOM 358 N LEU A 607 0.002 1.146 -3.898 1.00 0.00 N ATOM 359 CA LEU A 607 -0.849 0.545 -2.884 1.00 0.00 C ATOM 360 C LEU A 607 -2.044 1.453 -2.590 1.00 0.00 C ATOM 361 O LEU A 607 -3.181 0.987 -2.500 1.00 0.00 O ATOM 362 CB LEU A 607 -0.030 0.270 -1.617 1.00 0.00 C ATOM 363 CG LEU A 607 -0.637 -0.740 -0.635 1.00 0.00 C ATOM 364 CD1 LEU A 607 0.439 -1.290 0.282 1.00 0.00 C ATOM 365 CD2 LEU A 607 -1.737 -0.100 0.195 1.00 0.00 C ATOM 0 H LEU A 607 0.934 1.398 -3.568 1.00 0.00 H new ATOM 0 HA LEU A 607 -1.237 -0.405 -3.252 1.00 0.00 H new ATOM 0 HB2 LEU A 607 0.955 -0.089 -1.915 1.00 0.00 H new ATOM 0 HB3 LEU A 607 0.120 1.213 -1.092 1.00 0.00 H new ATOM 0 HG LEU A 607 -1.070 -1.555 -1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 607 -0.004 -2.006 0.974 1.00 0.00 H new ATOM 0 HD12 LEU A 607 1.205 -1.787 -0.313 1.00 0.00 H new ATOM 0 HD13 LEU A 607 0.890 -0.473 0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 607 -2.150 -0.838 0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 607 -1.326 0.735 0.763 1.00 0.00 H new ATOM 0 HD23 LEU A 607 -2.526 0.263 -0.464 1.00 0.00 H new ATOM 377 N VAL A 608 -1.782 2.752 -2.450 1.00 0.00 N ATOM 378 CA VAL A 608 -2.845 3.733 -2.240 1.00 0.00 C ATOM 379 C VAL A 608 -3.831 3.735 -3.411 1.00 0.00 C ATOM 380 O VAL A 608 -5.045 3.684 -3.209 1.00 0.00 O ATOM 381 CB VAL A 608 -2.270 5.156 -2.056 1.00 0.00 C ATOM 382 CG1 VAL A 608 -3.387 6.179 -1.913 1.00 0.00 C ATOM 383 CG2 VAL A 608 -1.346 5.208 -0.849 1.00 0.00 C ATOM 0 H VAL A 608 -0.843 3.149 -2.478 1.00 0.00 H new ATOM 0 HA VAL A 608 -3.370 3.444 -1.329 1.00 0.00 H new ATOM 0 HB VAL A 608 -1.692 5.404 -2.946 1.00 0.00 H new ATOM 0 HG11 VAL A 608 -2.957 7.172 -1.785 1.00 0.00 H new ATOM 0 HG12 VAL A 608 -4.009 6.166 -2.808 1.00 0.00 H new ATOM 0 HG13 VAL A 608 -3.997 5.933 -1.044 1.00 0.00 H new ATOM 0 HG21 VAL A 608 -0.951 6.218 -0.736 1.00 0.00 H new ATOM 0 HG22 VAL A 608 -1.902 4.934 0.047 1.00 0.00 H new ATOM 0 HG23 VAL A 608 -0.521 4.510 -0.992 1.00 0.00 H new ATOM 393 N GLN A 609 -3.300 3.782 -4.630 1.00 0.00 N ATOM 394 CA GLN A 609 -4.126 3.778 -5.837 1.00 0.00 C ATOM 395 C GLN A 609 -5.008 2.536 -5.891 1.00 0.00 C ATOM 396 O GLN A 609 -6.161 2.602 -6.322 1.00 0.00 O ATOM 397 CB GLN A 609 -3.261 3.864 -7.098 1.00 0.00 C ATOM 398 CG GLN A 609 -2.517 5.183 -7.247 1.00 0.00 C ATOM 399 CD GLN A 609 -3.443 6.387 -7.252 1.00 0.00 C ATOM 400 OE1 GLN A 609 -3.738 6.964 -6.205 1.00 0.00 O ATOM 401 NE2 GLN A 609 -3.903 6.780 -8.430 1.00 0.00 N ATOM 0 H GLN A 609 -2.297 3.824 -4.810 1.00 0.00 H new ATOM 0 HA GLN A 609 -4.768 4.658 -5.798 1.00 0.00 H new ATOM 0 HB2 GLN A 609 -2.537 3.049 -7.086 1.00 0.00 H new ATOM 0 HB3 GLN A 609 -3.895 3.715 -7.972 1.00 0.00 H new ATOM 0 HG2 GLN A 609 -1.801 5.285 -6.431 1.00 0.00 H new ATOM 0 HG3 GLN A 609 -1.944 5.168 -8.174 1.00 0.00 H new ATOM 0 HE21 GLN A 609 -3.636 6.276 -9.276 1.00 0.00 H new ATOM 0 HE22 GLN A 609 -4.524 7.587 -8.492 1.00 0.00 H new ATOM 410 N ALA A 610 -4.454 1.405 -5.464 1.00 0.00 N ATOM 411 CA ALA A 610 -5.204 0.161 -5.393 1.00 0.00 C ATOM 412 C ALA A 610 -6.455 0.323 -4.529 1.00 0.00 C ATOM 413 O ALA A 610 -7.512 -0.222 -4.854 1.00 0.00 O ATOM 414 CB ALA A 610 -4.323 -0.957 -4.858 1.00 0.00 C ATOM 0 H ALA A 610 -3.483 1.327 -5.161 1.00 0.00 H new ATOM 0 HA ALA A 610 -5.525 -0.102 -6.401 1.00 0.00 H new ATOM 0 HB1 ALA A 610 -4.898 -1.882 -4.810 1.00 0.00 H new ATOM 0 HB2 ALA A 610 -3.468 -1.095 -5.520 1.00 0.00 H new ATOM 0 HB3 ALA A 610 -3.971 -0.697 -3.860 1.00 0.00 H new ATOM 420 N ILE A 611 -6.335 1.072 -3.431 1.00 0.00 N ATOM 421 CA ILE A 611 -7.471 1.297 -2.539 1.00 0.00 C ATOM 422 C ILE A 611 -8.409 2.362 -3.124 1.00 0.00 C ATOM 423 O ILE A 611 -9.630 2.216 -3.057 1.00 0.00 O ATOM 424 CB ILE A 611 -7.021 1.740 -1.085 1.00 0.00 C ATOM 425 CG1 ILE A 611 -6.081 0.712 -0.416 1.00 0.00 C ATOM 426 CG2 ILE A 611 -8.224 2.014 -0.174 1.00 0.00 C ATOM 427 CD1 ILE A 611 -5.211 1.315 0.669 1.00 0.00 C ATOM 0 H ILE A 611 -5.470 1.529 -3.141 1.00 0.00 H new ATOM 0 HA ILE A 611 -7.994 0.345 -2.453 1.00 0.00 H new ATOM 0 HB ILE A 611 -6.464 2.668 -1.218 1.00 0.00 H new ATOM 0 HG12 ILE A 611 -6.679 -0.092 0.012 1.00 0.00 H new ATOM 0 HG13 ILE A 611 -5.443 0.264 -1.177 1.00 0.00 H new ATOM 0 HG21 ILE A 611 -7.872 2.315 0.813 1.00 0.00 H new ATOM 0 HG22 ILE A 611 -8.830 2.812 -0.602 1.00 0.00 H new ATOM 0 HG23 ILE A 611 -8.826 1.110 -0.084 1.00 0.00 H new ATOM 0 HD11 ILE A 611 -4.575 0.541 1.098 1.00 0.00 H new ATOM 0 HD12 ILE A 611 -4.588 2.100 0.241 1.00 0.00 H new ATOM 0 HD13 ILE A 611 -5.844 1.738 1.449 1.00 0.00 H new ATOM 439 N PHE A 612 -7.849 3.406 -3.734 1.00 0.00 N ATOM 440 CA PHE A 612 -8.643 4.550 -4.160 1.00 0.00 C ATOM 441 C PHE A 612 -7.911 5.306 -5.270 1.00 0.00 C ATOM 442 O PHE A 612 -6.985 6.068 -5.000 1.00 0.00 O ATOM 443 CB PHE A 612 -8.912 5.464 -2.958 1.00 0.00 C ATOM 444 CG PHE A 612 -10.044 6.432 -3.158 1.00 0.00 C ATOM 445 CD1 PHE A 612 -11.248 6.016 -3.704 1.00 0.00 C ATOM 446 CD2 PHE A 612 -9.906 7.758 -2.791 1.00 0.00 C ATOM 447 CE1 PHE A 612 -12.290 6.907 -3.882 1.00 0.00 C ATOM 448 CE2 PHE A 612 -10.943 8.652 -2.965 1.00 0.00 C ATOM 449 CZ PHE A 612 -12.135 8.227 -3.512 1.00 0.00 C ATOM 0 H PHE A 612 -6.853 3.480 -3.942 1.00 0.00 H new ATOM 0 HA PHE A 612 -9.599 4.207 -4.555 1.00 0.00 H new ATOM 0 HB2 PHE A 612 -9.128 4.845 -2.087 1.00 0.00 H new ATOM 0 HB3 PHE A 612 -8.005 6.025 -2.733 1.00 0.00 H new ATOM 0 HD1 PHE A 612 -11.374 4.983 -3.994 1.00 0.00 H new ATOM 0 HD2 PHE A 612 -8.975 8.098 -2.363 1.00 0.00 H new ATOM 0 HE1 PHE A 612 -13.223 6.571 -4.310 1.00 0.00 H new ATOM 0 HE2 PHE A 612 -10.821 9.684 -2.673 1.00 0.00 H new ATOM 0 HZ PHE A 612 -12.946 8.926 -3.651 1.00 0.00 H new ATOM 459 N PRO A 613 -8.308 5.096 -6.535 1.00 0.00 N ATOM 460 CA PRO A 613 -7.573 5.639 -7.688 1.00 0.00 C ATOM 461 C PRO A 613 -7.880 7.113 -7.975 1.00 0.00 C ATOM 462 O PRO A 613 -7.015 7.845 -8.457 1.00 0.00 O ATOM 463 CB PRO A 613 -8.052 4.757 -8.846 1.00 0.00 C ATOM 464 CG PRO A 613 -9.425 4.299 -8.452 1.00 0.00 C ATOM 465 CD PRO A 613 -9.491 4.302 -6.941 1.00 0.00 C ATOM 0 HA PRO A 613 -6.496 5.621 -7.519 1.00 0.00 H new ATOM 0 HB2 PRO A 613 -8.077 5.315 -9.782 1.00 0.00 H new ATOM 0 HB3 PRO A 613 -7.383 3.910 -8.998 1.00 0.00 H new ATOM 0 HG2 PRO A 613 -10.184 4.960 -8.870 1.00 0.00 H new ATOM 0 HG3 PRO A 613 -9.622 3.301 -8.842 1.00 0.00 H new ATOM 0 HD2 PRO A 613 -10.417 4.752 -6.582 1.00 0.00 H new ATOM 0 HD3 PRO A 613 -9.451 3.290 -6.537 1.00 0.00 H new ATOM 473 N THR A 614 -9.100 7.539 -7.681 1.00 0.00 N ATOM 474 CA THR A 614 -9.536 8.896 -7.991 1.00 0.00 C ATOM 475 C THR A 614 -9.110 9.896 -6.910 1.00 0.00 C ATOM 476 O THR A 614 -9.600 9.849 -5.781 1.00 0.00 O ATOM 477 CB THR A 614 -11.065 8.948 -8.180 1.00 0.00 C ATOM 478 OG1 THR A 614 -11.716 8.218 -7.128 1.00 0.00 O ATOM 479 CG2 THR A 614 -11.460 8.358 -9.525 1.00 0.00 C ATOM 0 H THR A 614 -9.809 6.963 -7.227 1.00 0.00 H new ATOM 0 HA THR A 614 -9.049 9.182 -8.923 1.00 0.00 H new ATOM 0 HB THR A 614 -11.378 9.992 -8.147 1.00 0.00 H new ATOM 0 HG1 THR A 614 -11.281 8.418 -6.273 1.00 0.00 H new ATOM 0 HG21 THR A 614 -12.543 8.404 -9.639 1.00 0.00 H new ATOM 0 HG22 THR A 614 -10.987 8.927 -10.325 1.00 0.00 H new ATOM 0 HG23 THR A 614 -11.134 7.319 -9.577 1.00 0.00 H new ATOM 487 N PRO A 615 -8.180 10.812 -7.237 1.00 0.00 N ATOM 488 CA PRO A 615 -7.698 11.833 -6.300 1.00 0.00 C ATOM 489 C PRO A 615 -8.647 13.026 -6.206 1.00 0.00 C ATOM 490 O PRO A 615 -8.445 14.050 -6.861 1.00 0.00 O ATOM 491 CB PRO A 615 -6.349 12.274 -6.900 1.00 0.00 C ATOM 492 CG PRO A 615 -6.131 11.395 -8.105 1.00 0.00 C ATOM 493 CD PRO A 615 -7.501 10.940 -8.531 1.00 0.00 C ATOM 0 HA PRO A 615 -7.620 11.443 -5.285 1.00 0.00 H new ATOM 0 HB2 PRO A 615 -6.372 13.327 -7.182 1.00 0.00 H new ATOM 0 HB3 PRO A 615 -5.542 12.155 -6.177 1.00 0.00 H new ATOM 0 HG2 PRO A 615 -5.634 11.944 -8.905 1.00 0.00 H new ATOM 0 HG3 PRO A 615 -5.495 10.545 -7.859 1.00 0.00 H new ATOM 0 HD2 PRO A 615 -7.990 11.665 -9.182 1.00 0.00 H new ATOM 0 HD3 PRO A 615 -7.470 9.995 -9.073 1.00 0.00 H new ATOM 501 N ASP A 616 -9.682 12.881 -5.395 1.00 0.00 N ATOM 502 CA ASP A 616 -10.640 13.968 -5.159 1.00 0.00 C ATOM 503 C ASP A 616 -9.983 15.080 -4.344 1.00 0.00 C ATOM 504 O ASP A 616 -9.387 14.819 -3.301 1.00 0.00 O ATOM 505 CB ASP A 616 -11.879 13.448 -4.411 1.00 0.00 C ATOM 506 CG ASP A 616 -12.864 14.555 -4.085 1.00 0.00 C ATOM 507 OD1 ASP A 616 -13.643 14.955 -4.974 1.00 0.00 O ATOM 508 OD2 ASP A 616 -12.869 15.024 -2.929 1.00 0.00 O ATOM 0 H ASP A 616 -9.887 12.022 -4.884 1.00 0.00 H new ATOM 0 HA ASP A 616 -10.952 14.362 -6.126 1.00 0.00 H new ATOM 0 HB2 ASP A 616 -12.375 12.691 -5.018 1.00 0.00 H new ATOM 0 HB3 ASP A 616 -11.565 12.961 -3.488 1.00 0.00 H new ATOM 513 N PRO A 617 -10.077 16.339 -4.826 1.00 0.00 N ATOM 514 CA PRO A 617 -9.442 17.499 -4.179 1.00 0.00 C ATOM 515 C PRO A 617 -9.882 17.720 -2.730 1.00 0.00 C ATOM 516 O PRO A 617 -9.138 18.299 -1.941 1.00 0.00 O ATOM 517 CB PRO A 617 -9.871 18.697 -5.049 1.00 0.00 C ATOM 518 CG PRO A 617 -11.017 18.206 -5.862 1.00 0.00 C ATOM 519 CD PRO A 617 -10.781 16.734 -6.061 1.00 0.00 C ATOM 0 HA PRO A 617 -8.363 17.354 -4.117 1.00 0.00 H new ATOM 0 HB2 PRO A 617 -10.163 19.546 -4.431 1.00 0.00 H new ATOM 0 HB3 PRO A 617 -9.053 19.033 -5.686 1.00 0.00 H new ATOM 0 HG2 PRO A 617 -11.963 18.384 -5.351 1.00 0.00 H new ATOM 0 HG3 PRO A 617 -11.068 18.726 -6.819 1.00 0.00 H new ATOM 0 HD2 PRO A 617 -11.717 16.189 -6.184 1.00 0.00 H new ATOM 0 HD3 PRO A 617 -10.179 16.538 -6.948 1.00 0.00 H new ATOM 527 N ALA A 618 -11.082 17.276 -2.377 1.00 0.00 N ATOM 528 CA ALA A 618 -11.584 17.461 -1.022 1.00 0.00 C ATOM 529 C ALA A 618 -11.178 16.288 -0.139 1.00 0.00 C ATOM 530 O ALA A 618 -10.623 16.475 0.945 1.00 0.00 O ATOM 531 CB ALA A 618 -13.098 17.625 -1.031 1.00 0.00 C ATOM 0 H ALA A 618 -11.721 16.789 -3.005 1.00 0.00 H new ATOM 0 HA ALA A 618 -11.143 18.370 -0.612 1.00 0.00 H new ATOM 0 HB1 ALA A 618 -13.455 17.762 -0.010 1.00 0.00 H new ATOM 0 HB2 ALA A 618 -13.366 18.496 -1.629 1.00 0.00 H new ATOM 0 HB3 ALA A 618 -13.558 16.735 -1.460 1.00 0.00 H new ATOM 537 N ALA A 619 -11.455 15.079 -0.619 1.00 0.00 N ATOM 538 CA ALA A 619 -11.060 13.846 0.067 1.00 0.00 C ATOM 539 C ALA A 619 -9.557 13.805 0.318 1.00 0.00 C ATOM 540 O ALA A 619 -9.092 13.176 1.264 1.00 0.00 O ATOM 541 CB ALA A 619 -11.492 12.633 -0.745 1.00 0.00 C ATOM 0 H ALA A 619 -11.958 14.923 -1.492 1.00 0.00 H new ATOM 0 HA ALA A 619 -11.560 13.825 1.035 1.00 0.00 H new ATOM 0 HB1 ALA A 619 -11.193 11.722 -0.226 1.00 0.00 H new ATOM 0 HB2 ALA A 619 -12.575 12.643 -0.866 1.00 0.00 H new ATOM 0 HB3 ALA A 619 -11.017 12.664 -1.726 1.00 0.00 H new ATOM 547 N LEU A 620 -8.809 14.500 -0.525 1.00 0.00 N ATOM 548 CA LEU A 620 -7.358 14.545 -0.407 1.00 0.00 C ATOM 549 C LEU A 620 -6.959 15.200 0.919 1.00 0.00 C ATOM 550 O LEU A 620 -5.892 14.925 1.468 1.00 0.00 O ATOM 551 CB LEU A 620 -6.758 15.331 -1.577 1.00 0.00 C ATOM 552 CG LEU A 620 -5.534 14.695 -2.261 1.00 0.00 C ATOM 553 CD1 LEU A 620 -4.385 14.505 -1.282 1.00 0.00 C ATOM 554 CD2 LEU A 620 -5.910 13.369 -2.906 1.00 0.00 C ATOM 0 H LEU A 620 -9.184 15.043 -1.302 1.00 0.00 H new ATOM 0 HA LEU A 620 -6.972 13.526 -0.430 1.00 0.00 H new ATOM 0 HB2 LEU A 620 -7.535 15.475 -2.328 1.00 0.00 H new ATOM 0 HB3 LEU A 620 -6.475 16.320 -1.217 1.00 0.00 H new ATOM 0 HG LEU A 620 -5.197 15.379 -3.040 1.00 0.00 H new ATOM 0 HD11 LEU A 620 -3.538 14.054 -1.798 1.00 0.00 H new ATOM 0 HD12 LEU A 620 -4.089 15.472 -0.876 1.00 0.00 H new ATOM 0 HD13 LEU A 620 -4.704 13.852 -0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 620 -5.032 12.935 -3.384 1.00 0.00 H new ATOM 0 HD22 LEU A 620 -6.282 12.686 -2.143 1.00 0.00 H new ATOM 0 HD23 LEU A 620 -6.685 13.535 -3.654 1.00 0.00 H new ATOM 566 N LYS A 621 -7.830 16.063 1.426 1.00 0.00 N ATOM 567 CA LYS A 621 -7.593 16.750 2.695 1.00 0.00 C ATOM 568 C LYS A 621 -8.443 16.151 3.817 1.00 0.00 C ATOM 569 O LYS A 621 -8.609 16.762 4.874 1.00 0.00 O ATOM 570 CB LYS A 621 -7.914 18.243 2.557 1.00 0.00 C ATOM 571 CG LYS A 621 -7.020 18.979 1.573 1.00 0.00 C ATOM 572 CD LYS A 621 -7.446 20.431 1.377 1.00 0.00 C ATOM 573 CE LYS A 621 -7.348 21.254 2.658 1.00 0.00 C ATOM 574 NZ LYS A 621 -8.567 21.143 3.505 1.00 0.00 N ATOM 0 H LYS A 621 -8.713 16.307 0.977 1.00 0.00 H new ATOM 0 HA LYS A 621 -6.541 16.623 2.950 1.00 0.00 H new ATOM 0 HB2 LYS A 621 -8.952 18.353 2.242 1.00 0.00 H new ATOM 0 HB3 LYS A 621 -7.826 18.715 3.536 1.00 0.00 H new ATOM 0 HG2 LYS A 621 -5.990 18.950 1.929 1.00 0.00 H new ATOM 0 HG3 LYS A 621 -7.040 18.464 0.612 1.00 0.00 H new ATOM 0 HD2 LYS A 621 -6.822 20.887 0.609 1.00 0.00 H new ATOM 0 HD3 LYS A 621 -8.472 20.458 1.011 1.00 0.00 H new ATOM 0 HE2 LYS A 621 -6.481 20.925 3.231 1.00 0.00 H new ATOM 0 HE3 LYS A 621 -7.183 22.300 2.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 621 -8.922 22.095 3.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 621 -9.299 20.612 2.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 621 -8.332 20.645 4.387 1.00 0.00 H new ATOM 588 N ASP A 622 -8.980 14.960 3.592 1.00 0.00 N ATOM 589 CA ASP A 622 -9.833 14.311 4.585 1.00 0.00 C ATOM 590 C ASP A 622 -9.036 13.263 5.363 1.00 0.00 C ATOM 591 O ASP A 622 -8.268 12.488 4.787 1.00 0.00 O ATOM 592 CB ASP A 622 -11.059 13.673 3.912 1.00 0.00 C ATOM 593 CG ASP A 622 -12.006 13.053 4.919 1.00 0.00 C ATOM 594 OD1 ASP A 622 -12.841 13.791 5.490 1.00 0.00 O ATOM 595 OD2 ASP A 622 -11.921 11.833 5.156 1.00 0.00 O ATOM 0 H ASP A 622 -8.843 14.423 2.736 1.00 0.00 H new ATOM 0 HA ASP A 622 -10.187 15.067 5.286 1.00 0.00 H new ATOM 0 HB2 ASP A 622 -11.590 14.430 3.335 1.00 0.00 H new ATOM 0 HB3 ASP A 622 -10.729 12.909 3.208 1.00 0.00 H new ATOM 600 N ARG A 623 -9.222 13.268 6.690 1.00 0.00 N ATOM 601 CA ARG A 623 -8.468 12.415 7.609 1.00 0.00 C ATOM 602 C ARG A 623 -8.585 10.924 7.264 1.00 0.00 C ATOM 603 O ARG A 623 -7.614 10.182 7.407 1.00 0.00 O ATOM 604 CB ARG A 623 -8.917 12.654 9.061 1.00 0.00 C ATOM 605 CG ARG A 623 -8.719 14.085 9.570 1.00 0.00 C ATOM 606 CD ARG A 623 -7.315 14.603 9.304 1.00 0.00 C ATOM 607 NE ARG A 623 -7.162 15.999 9.711 1.00 0.00 N ATOM 608 CZ ARG A 623 -6.185 16.803 9.286 1.00 0.00 C ATOM 609 NH1 ARG A 623 -5.271 16.359 8.433 1.00 0.00 N ATOM 610 NH2 ARG A 623 -6.126 18.055 9.715 1.00 0.00 N ATOM 0 H ARG A 623 -9.904 13.868 7.155 1.00 0.00 H new ATOM 0 HA ARG A 623 -7.419 12.692 7.501 1.00 0.00 H new ATOM 0 HB2 ARG A 623 -9.973 12.396 9.147 1.00 0.00 H new ATOM 0 HB3 ARG A 623 -8.369 11.973 9.712 1.00 0.00 H new ATOM 0 HG2 ARG A 623 -9.444 14.743 9.090 1.00 0.00 H new ATOM 0 HG3 ARG A 623 -8.919 14.118 10.641 1.00 0.00 H new ATOM 0 HD2 ARG A 623 -6.593 13.987 9.841 1.00 0.00 H new ATOM 0 HD3 ARG A 623 -7.088 14.508 8.242 1.00 0.00 H new ATOM 0 HE ARG A 623 -7.847 16.384 10.362 1.00 0.00 H new ATOM 0 HH11 ARG A 623 -5.312 15.397 8.097 1.00 0.00 H new ATOM 0 HH12 ARG A 623 -4.528 16.980 8.113 1.00 0.00 H new ATOM 0 HH21 ARG A 623 -6.827 18.403 10.369 1.00 0.00 H new ATOM 0 HH22 ARG A 623 -5.380 18.670 9.391 1.00 0.00 H new ATOM 624 N ARG A 624 -9.772 10.486 6.841 1.00 0.00 N ATOM 625 CA ARG A 624 -10.010 9.088 6.495 1.00 0.00 C ATOM 626 C ARG A 624 -9.086 8.646 5.359 1.00 0.00 C ATOM 627 O ARG A 624 -8.520 7.550 5.395 1.00 0.00 O ATOM 628 CB ARG A 624 -11.484 8.917 6.113 1.00 0.00 C ATOM 629 CG ARG A 624 -11.876 7.524 5.655 1.00 0.00 C ATOM 630 CD ARG A 624 -13.391 7.387 5.587 1.00 0.00 C ATOM 631 NE ARG A 624 -14.000 7.578 6.904 1.00 0.00 N ATOM 632 CZ ARG A 624 -15.268 7.932 7.109 1.00 0.00 C ATOM 633 NH1 ARG A 624 -16.092 8.136 6.087 1.00 0.00 N ATOM 634 NH2 ARG A 624 -15.711 8.085 8.351 1.00 0.00 N ATOM 0 H ARG A 624 -10.589 11.087 6.730 1.00 0.00 H new ATOM 0 HA ARG A 624 -9.788 8.454 7.354 1.00 0.00 H new ATOM 0 HB2 ARG A 624 -12.099 9.186 6.972 1.00 0.00 H new ATOM 0 HB3 ARG A 624 -11.721 9.624 5.318 1.00 0.00 H new ATOM 0 HG2 ARG A 624 -11.443 7.323 4.675 1.00 0.00 H new ATOM 0 HG3 ARG A 624 -11.469 6.782 6.342 1.00 0.00 H new ATOM 0 HD2 ARG A 624 -13.794 8.120 4.888 1.00 0.00 H new ATOM 0 HD3 ARG A 624 -13.653 6.401 5.202 1.00 0.00 H new ATOM 0 HE ARG A 624 -13.411 7.429 7.724 1.00 0.00 H new ATOM 0 HH11 ARG A 624 -15.756 8.022 5.131 1.00 0.00 H new ATOM 0 HH12 ARG A 624 -17.060 8.407 6.259 1.00 0.00 H new ATOM 0 HH21 ARG A 624 -15.082 7.932 9.139 1.00 0.00 H new ATOM 0 HH22 ARG A 624 -16.680 8.356 8.517 1.00 0.00 H new ATOM 648 N MET A 625 -8.923 9.519 4.371 1.00 0.00 N ATOM 649 CA MET A 625 -7.996 9.274 3.268 1.00 0.00 C ATOM 650 C MET A 625 -6.559 9.178 3.782 1.00 0.00 C ATOM 651 O MET A 625 -5.799 8.308 3.362 1.00 0.00 O ATOM 652 CB MET A 625 -8.131 10.368 2.188 1.00 0.00 C ATOM 653 CG MET A 625 -6.825 10.729 1.472 1.00 0.00 C ATOM 654 SD MET A 625 -6.261 9.467 0.313 1.00 0.00 S ATOM 655 CE MET A 625 -7.539 9.557 -0.937 1.00 0.00 C ATOM 0 H MET A 625 -9.422 10.406 4.310 1.00 0.00 H new ATOM 0 HA MET A 625 -8.252 8.319 2.809 1.00 0.00 H new ATOM 0 HB2 MET A 625 -8.857 10.038 1.445 1.00 0.00 H new ATOM 0 HB3 MET A 625 -8.536 11.268 2.651 1.00 0.00 H new ATOM 0 HG2 MET A 625 -6.963 11.667 0.935 1.00 0.00 H new ATOM 0 HG3 MET A 625 -6.048 10.899 2.217 1.00 0.00 H new ATOM 0 HE1 MET A 625 -7.177 9.104 -1.860 1.00 0.00 H new ATOM 0 HE2 MET A 625 -8.424 9.021 -0.592 1.00 0.00 H new ATOM 0 HE3 MET A 625 -7.795 10.600 -1.121 1.00 0.00 H new ATOM 665 N GLU A 626 -6.203 10.044 4.726 1.00 0.00 N ATOM 666 CA GLU A 626 -4.849 10.066 5.259 1.00 0.00 C ATOM 667 C GLU A 626 -4.529 8.768 5.981 1.00 0.00 C ATOM 668 O GLU A 626 -3.415 8.263 5.889 1.00 0.00 O ATOM 669 CB GLU A 626 -4.651 11.249 6.198 1.00 0.00 C ATOM 670 CG GLU A 626 -4.833 12.593 5.521 1.00 0.00 C ATOM 671 CD GLU A 626 -4.409 13.736 6.411 1.00 0.00 C ATOM 672 OE1 GLU A 626 -5.048 13.943 7.456 1.00 0.00 O ATOM 673 OE2 GLU A 626 -3.420 14.421 6.078 1.00 0.00 O ATOM 0 H GLU A 626 -6.831 10.736 5.135 1.00 0.00 H new ATOM 0 HA GLU A 626 -4.165 10.174 4.417 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -5.356 11.169 7.025 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -3.650 11.199 6.627 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -4.252 12.616 4.599 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -5.879 12.720 5.242 1.00 0.00 H new ATOM 680 N ASN A 627 -5.509 8.240 6.705 1.00 0.00 N ATOM 681 CA ASN A 627 -5.330 6.984 7.434 1.00 0.00 C ATOM 682 C ASN A 627 -4.959 5.850 6.487 1.00 0.00 C ATOM 683 O ASN A 627 -4.079 5.042 6.790 1.00 0.00 O ATOM 684 CB ASN A 627 -6.596 6.606 8.206 1.00 0.00 C ATOM 685 CG ASN A 627 -6.764 7.362 9.516 1.00 0.00 C ATOM 686 OD1 ASN A 627 -6.222 8.569 9.595 1.00 0.00 O flip ATOM 687 ND2 ASN A 627 -7.380 6.858 10.454 1.00 0.00 N flip ATOM 0 H ASN A 627 -6.434 8.658 6.805 1.00 0.00 H new ATOM 0 HA ASN A 627 -4.516 7.137 8.143 1.00 0.00 H new ATOM 0 HB2 ASN A 627 -7.465 6.793 7.575 1.00 0.00 H new ATOM 0 HB3 ASN A 627 -6.578 5.536 8.414 1.00 0.00 H new ATOM 0 HD21 ASN A 627 -7.784 5.926 10.357 1.00 0.00 H new ATOM 0 HD22 ASN A 627 -7.487 7.372 11.329 1.00 0.00 H new ATOM 694 N LEU A 628 -5.636 5.786 5.343 1.00 0.00 N ATOM 695 CA LEU A 628 -5.349 4.749 4.348 1.00 0.00 C ATOM 696 C LEU A 628 -3.963 4.976 3.740 1.00 0.00 C ATOM 697 O LEU A 628 -3.225 4.021 3.491 1.00 0.00 O ATOM 698 CB LEU A 628 -6.473 4.650 3.273 1.00 0.00 C ATOM 699 CG LEU A 628 -6.406 5.593 2.057 1.00 0.00 C ATOM 700 CD1 LEU A 628 -5.469 5.054 0.986 1.00 0.00 C ATOM 701 CD2 LEU A 628 -7.798 5.783 1.476 1.00 0.00 C ATOM 0 H LEU A 628 -6.381 6.432 5.081 1.00 0.00 H new ATOM 0 HA LEU A 628 -5.335 3.780 4.847 1.00 0.00 H new ATOM 0 HB2 LEU A 628 -6.486 3.626 2.899 1.00 0.00 H new ATOM 0 HB3 LEU A 628 -7.427 4.819 3.773 1.00 0.00 H new ATOM 0 HG LEU A 628 -6.015 6.552 2.395 1.00 0.00 H new ATOM 0 HD11 LEU A 628 -5.445 5.744 0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 628 -4.465 4.951 1.399 1.00 0.00 H new ATOM 0 HD13 LEU A 628 -5.824 4.080 0.649 1.00 0.00 H new ATOM 0 HD21 LEU A 628 -7.745 6.451 0.616 1.00 0.00 H new ATOM 0 HD22 LEU A 628 -8.196 4.818 1.162 1.00 0.00 H new ATOM 0 HD23 LEU A 628 -8.452 6.217 2.233 1.00 0.00 H new ATOM 713 N VAL A 629 -3.605 6.241 3.513 1.00 0.00 N ATOM 714 CA VAL A 629 -2.285 6.576 2.980 1.00 0.00 C ATOM 715 C VAL A 629 -1.208 6.187 3.984 1.00 0.00 C ATOM 716 O VAL A 629 -0.172 5.620 3.623 1.00 0.00 O ATOM 717 CB VAL A 629 -2.160 8.082 2.657 1.00 0.00 C ATOM 718 CG1 VAL A 629 -0.748 8.427 2.201 1.00 0.00 C ATOM 719 CG2 VAL A 629 -3.169 8.485 1.595 1.00 0.00 C ATOM 0 H VAL A 629 -4.207 7.045 3.689 1.00 0.00 H new ATOM 0 HA VAL A 629 -2.155 6.018 2.053 1.00 0.00 H new ATOM 0 HB VAL A 629 -2.370 8.640 3.569 1.00 0.00 H new ATOM 0 HG11 VAL A 629 -0.687 9.493 1.980 1.00 0.00 H new ATOM 0 HG12 VAL A 629 -0.040 8.179 2.992 1.00 0.00 H new ATOM 0 HG13 VAL A 629 -0.505 7.856 1.305 1.00 0.00 H new ATOM 0 HG21 VAL A 629 -3.066 9.549 1.380 1.00 0.00 H new ATOM 0 HG22 VAL A 629 -2.988 7.912 0.685 1.00 0.00 H new ATOM 0 HG23 VAL A 629 -4.177 8.284 1.956 1.00 0.00 H new ATOM 729 N ALA A 630 -1.470 6.504 5.247 1.00 0.00 N ATOM 730 CA ALA A 630 -0.589 6.144 6.343 1.00 0.00 C ATOM 731 C ALA A 630 -0.406 4.632 6.431 1.00 0.00 C ATOM 732 O ALA A 630 0.686 4.153 6.723 1.00 0.00 O ATOM 733 CB ALA A 630 -1.118 6.706 7.653 1.00 0.00 C ATOM 0 H ALA A 630 -2.302 7.019 5.536 1.00 0.00 H new ATOM 0 HA ALA A 630 0.390 6.582 6.150 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -0.447 6.428 8.466 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -1.176 7.792 7.586 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -2.111 6.301 7.848 1.00 0.00 H new ATOM 739 N TYR A 631 -1.479 3.882 6.189 1.00 0.00 N ATOM 740 CA TYR A 631 -1.407 2.423 6.196 1.00 0.00 C ATOM 741 C TYR A 631 -0.373 1.925 5.181 1.00 0.00 C ATOM 742 O TYR A 631 0.391 1.001 5.468 1.00 0.00 O ATOM 743 CB TYR A 631 -2.783 1.798 5.908 1.00 0.00 C ATOM 744 CG TYR A 631 -2.743 0.294 5.745 1.00 0.00 C ATOM 745 CD1 TYR A 631 -2.377 -0.533 6.801 1.00 0.00 C ATOM 746 CD2 TYR A 631 -3.061 -0.295 4.531 1.00 0.00 C ATOM 747 CE1 TYR A 631 -2.326 -1.905 6.646 1.00 0.00 C ATOM 748 CE2 TYR A 631 -3.016 -1.662 4.372 1.00 0.00 C ATOM 749 CZ TYR A 631 -2.647 -2.464 5.426 1.00 0.00 C ATOM 750 OH TYR A 631 -2.596 -3.829 5.256 1.00 0.00 O ATOM 0 H TYR A 631 -2.405 4.259 5.986 1.00 0.00 H new ATOM 0 HA TYR A 631 -1.094 2.111 7.192 1.00 0.00 H new ATOM 0 HB2 TYR A 631 -3.464 2.049 6.721 1.00 0.00 H new ATOM 0 HB3 TYR A 631 -3.192 2.243 5.001 1.00 0.00 H new ATOM 0 HD1 TYR A 631 -2.129 -0.096 7.757 1.00 0.00 H new ATOM 0 HD2 TYR A 631 -3.349 0.328 3.697 1.00 0.00 H new ATOM 0 HE1 TYR A 631 -2.037 -2.535 7.474 1.00 0.00 H new ATOM 0 HE2 TYR A 631 -3.270 -2.104 3.420 1.00 0.00 H new ATOM 0 HH TYR A 631 -2.552 -4.266 6.132 1.00 0.00 H new ATOM 760 N ALA A 632 -0.341 2.549 4.002 1.00 0.00 N ATOM 761 CA ALA A 632 0.631 2.191 2.971 1.00 0.00 C ATOM 762 C ALA A 632 2.053 2.492 3.445 1.00 0.00 C ATOM 763 O ALA A 632 2.972 1.700 3.233 1.00 0.00 O ATOM 764 CB ALA A 632 0.324 2.924 1.668 1.00 0.00 C ATOM 0 H ALA A 632 -0.976 3.303 3.739 1.00 0.00 H new ATOM 0 HA ALA A 632 0.557 1.120 2.783 1.00 0.00 H new ATOM 0 HB1 ALA A 632 1.058 2.645 0.912 1.00 0.00 H new ATOM 0 HB2 ALA A 632 -0.673 2.651 1.323 1.00 0.00 H new ATOM 0 HB3 ALA A 632 0.368 4.000 1.837 1.00 0.00 H new ATOM 770 N LYS A 633 2.223 3.654 4.076 1.00 0.00 N ATOM 771 CA LYS A 633 3.464 4.022 4.740 1.00 0.00 C ATOM 772 C LYS A 633 3.926 2.951 5.724 1.00 0.00 C ATOM 773 O LYS A 633 5.081 2.528 5.705 1.00 0.00 O ATOM 774 CB LYS A 633 3.201 5.292 5.529 1.00 0.00 C ATOM 775 CG LYS A 633 2.709 6.474 4.704 1.00 0.00 C ATOM 776 CD LYS A 633 3.674 6.840 3.593 1.00 0.00 C ATOM 777 CE LYS A 633 3.187 8.047 2.801 1.00 0.00 C ATOM 778 NZ LYS A 633 2.278 7.666 1.692 1.00 0.00 N ATOM 0 H LYS A 633 1.497 4.367 4.139 1.00 0.00 H new ATOM 0 HA LYS A 633 4.238 4.148 3.983 1.00 0.00 H new ATOM 0 HB2 LYS A 633 2.463 5.075 6.301 1.00 0.00 H new ATOM 0 HB3 LYS A 633 4.120 5.582 6.039 1.00 0.00 H new ATOM 0 HG2 LYS A 633 1.737 6.235 4.274 1.00 0.00 H new ATOM 0 HG3 LYS A 633 2.566 7.335 5.356 1.00 0.00 H new ATOM 0 HD2 LYS A 633 4.654 7.055 4.018 1.00 0.00 H new ATOM 0 HD3 LYS A 633 3.797 5.990 2.922 1.00 0.00 H new ATOM 0 HE2 LYS A 633 2.670 8.734 3.471 1.00 0.00 H new ATOM 0 HE3 LYS A 633 4.045 8.583 2.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 633 1.657 8.468 1.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 633 2.840 7.410 0.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 633 1.699 6.852 1.982 1.00 0.00 H new ATOM 792 N LYS A 634 3.021 2.540 6.596 1.00 0.00 N ATOM 793 CA LYS A 634 3.299 1.453 7.535 1.00 0.00 C ATOM 794 C LYS A 634 3.746 0.197 6.796 1.00 0.00 C ATOM 795 O LYS A 634 4.717 -0.454 7.191 1.00 0.00 O ATOM 796 CB LYS A 634 2.072 1.133 8.398 1.00 0.00 C ATOM 797 CG LYS A 634 2.004 1.911 9.706 1.00 0.00 C ATOM 798 CD LYS A 634 1.763 3.393 9.482 1.00 0.00 C ATOM 799 CE LYS A 634 1.691 4.149 10.799 1.00 0.00 C ATOM 800 NZ LYS A 634 1.355 5.583 10.598 1.00 0.00 N ATOM 0 H LYS A 634 2.086 2.939 6.678 1.00 0.00 H new ATOM 0 HA LYS A 634 4.105 1.788 8.188 1.00 0.00 H new ATOM 0 HB2 LYS A 634 1.172 1.339 7.819 1.00 0.00 H new ATOM 0 HB3 LYS A 634 2.069 0.066 8.623 1.00 0.00 H new ATOM 0 HG2 LYS A 634 1.205 1.505 10.327 1.00 0.00 H new ATOM 0 HG3 LYS A 634 2.935 1.775 10.256 1.00 0.00 H new ATOM 0 HD2 LYS A 634 2.564 3.805 8.868 1.00 0.00 H new ATOM 0 HD3 LYS A 634 0.834 3.533 8.929 1.00 0.00 H new ATOM 0 HE2 LYS A 634 0.942 3.687 11.442 1.00 0.00 H new ATOM 0 HE3 LYS A 634 2.647 4.069 11.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 634 1.529 6.107 11.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 634 1.948 5.975 9.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 634 0.353 5.671 10.335 1.00 0.00 H new ATOM 814 N VAL A 635 3.030 -0.128 5.726 1.00 0.00 N ATOM 815 CA VAL A 635 3.372 -1.267 4.878 1.00 0.00 C ATOM 816 C VAL A 635 4.819 -1.194 4.390 1.00 0.00 C ATOM 817 O VAL A 635 5.562 -2.164 4.526 1.00 0.00 O ATOM 818 CB VAL A 635 2.420 -1.376 3.661 1.00 0.00 C ATOM 819 CG1 VAL A 635 3.014 -2.251 2.567 1.00 0.00 C ATOM 820 CG2 VAL A 635 1.074 -1.934 4.087 1.00 0.00 C ATOM 0 H VAL A 635 2.202 0.385 5.422 1.00 0.00 H new ATOM 0 HA VAL A 635 3.257 -2.158 5.495 1.00 0.00 H new ATOM 0 HB VAL A 635 2.284 -0.371 3.261 1.00 0.00 H new ATOM 0 HG11 VAL A 635 2.320 -2.306 1.728 1.00 0.00 H new ATOM 0 HG12 VAL A 635 3.958 -1.822 2.230 1.00 0.00 H new ATOM 0 HG13 VAL A 635 3.190 -3.253 2.958 1.00 0.00 H new ATOM 0 HG21 VAL A 635 0.418 -2.004 3.219 1.00 0.00 H new ATOM 0 HG22 VAL A 635 1.211 -2.925 4.519 1.00 0.00 H new ATOM 0 HG23 VAL A 635 0.625 -1.274 4.829 1.00 0.00 H new ATOM 830 N GLU A 636 5.221 -0.046 3.851 1.00 0.00 N ATOM 831 CA GLU A 636 6.578 0.106 3.321 1.00 0.00 C ATOM 832 C GLU A 636 7.615 -0.224 4.396 1.00 0.00 C ATOM 833 O GLU A 636 8.622 -0.871 4.113 1.00 0.00 O ATOM 834 CB GLU A 636 6.819 1.524 2.762 1.00 0.00 C ATOM 835 CG GLU A 636 7.356 2.523 3.781 1.00 0.00 C ATOM 836 CD GLU A 636 7.633 3.885 3.194 1.00 0.00 C ATOM 837 OE1 GLU A 636 6.709 4.723 3.163 1.00 0.00 O ATOM 838 OE2 GLU A 636 8.784 4.133 2.778 1.00 0.00 O ATOM 0 H GLU A 636 4.636 0.785 3.769 1.00 0.00 H new ATOM 0 HA GLU A 636 6.686 -0.598 2.496 1.00 0.00 H new ATOM 0 HB2 GLU A 636 7.522 1.459 1.931 1.00 0.00 H new ATOM 0 HB3 GLU A 636 5.881 1.905 2.357 1.00 0.00 H new ATOM 0 HG2 GLU A 636 6.636 2.625 4.593 1.00 0.00 H new ATOM 0 HG3 GLU A 636 8.274 2.129 4.216 1.00 0.00 H new ATOM 845 N GLY A 637 7.349 0.215 5.625 1.00 0.00 N ATOM 846 CA GLY A 637 8.255 -0.058 6.729 1.00 0.00 C ATOM 847 C GLY A 637 8.355 -1.534 7.045 1.00 0.00 C ATOM 848 O GLY A 637 9.451 -2.068 7.193 1.00 0.00 O ATOM 0 H GLY A 637 6.521 0.755 5.876 1.00 0.00 H new ATOM 0 HA2 GLY A 637 9.246 0.326 6.485 1.00 0.00 H new ATOM 0 HA3 GLY A 637 7.915 0.478 7.615 1.00 0.00 H new ATOM 852 N ASP A 638 7.208 -2.193 7.157 1.00 0.00 N ATOM 853 CA ASP A 638 7.168 -3.623 7.456 1.00 0.00 C ATOM 854 C ASP A 638 7.814 -4.434 6.337 1.00 0.00 C ATOM 855 O ASP A 638 8.622 -5.331 6.589 1.00 0.00 O ATOM 856 CB ASP A 638 5.719 -4.073 7.664 1.00 0.00 C ATOM 857 CG ASP A 638 5.611 -5.523 8.090 1.00 0.00 C ATOM 858 OD1 ASP A 638 5.540 -6.402 7.207 1.00 0.00 O ATOM 859 OD2 ASP A 638 5.588 -5.785 9.313 1.00 0.00 O ATOM 0 H ASP A 638 6.291 -1.761 7.045 1.00 0.00 H new ATOM 0 HA ASP A 638 7.733 -3.798 8.372 1.00 0.00 H new ATOM 0 HB2 ASP A 638 5.252 -3.441 8.419 1.00 0.00 H new ATOM 0 HB3 ASP A 638 5.162 -3.928 6.738 1.00 0.00 H new ATOM 864 N MET A 639 7.462 -4.095 5.101 1.00 0.00 N ATOM 865 CA MET A 639 8.023 -4.757 3.919 1.00 0.00 C ATOM 866 C MET A 639 9.528 -4.549 3.860 1.00 0.00 C ATOM 867 O MET A 639 10.261 -5.436 3.446 1.00 0.00 O ATOM 868 CB MET A 639 7.394 -4.239 2.609 1.00 0.00 C ATOM 869 CG MET A 639 5.874 -4.367 2.531 1.00 0.00 C ATOM 870 SD MET A 639 5.308 -6.071 2.665 1.00 0.00 S ATOM 871 CE MET A 639 3.581 -5.891 2.228 1.00 0.00 C ATOM 0 H MET A 639 6.787 -3.361 4.887 1.00 0.00 H new ATOM 0 HA MET A 639 7.794 -5.818 4.013 1.00 0.00 H new ATOM 0 HB2 MET A 639 7.663 -3.190 2.484 1.00 0.00 H new ATOM 0 HB3 MET A 639 7.833 -4.782 1.772 1.00 0.00 H new ATOM 0 HG2 MET A 639 5.423 -3.776 3.328 1.00 0.00 H new ATOM 0 HG3 MET A 639 5.527 -3.947 1.587 1.00 0.00 H new ATOM 0 HE1 MET A 639 3.172 -6.863 1.954 1.00 0.00 H new ATOM 0 HE2 MET A 639 3.030 -5.492 3.080 1.00 0.00 H new ATOM 0 HE3 MET A 639 3.489 -5.208 1.384 1.00 0.00 H new ATOM 881 N TYR A 640 9.963 -3.365 4.277 1.00 0.00 N ATOM 882 CA TYR A 640 11.358 -2.929 4.137 1.00 0.00 C ATOM 883 C TYR A 640 12.358 -3.981 4.640 1.00 0.00 C ATOM 884 O TYR A 640 13.424 -4.147 4.043 1.00 0.00 O ATOM 885 CB TYR A 640 11.585 -1.586 4.856 1.00 0.00 C ATOM 886 CG TYR A 640 12.913 -0.928 4.544 1.00 0.00 C ATOM 887 CD1 TYR A 640 13.401 -0.881 3.240 1.00 0.00 C ATOM 888 CD2 TYR A 640 13.683 -0.352 5.549 1.00 0.00 C ATOM 889 CE1 TYR A 640 14.609 -0.283 2.953 1.00 0.00 C ATOM 890 CE2 TYR A 640 14.890 0.246 5.266 1.00 0.00 C ATOM 891 CZ TYR A 640 15.350 0.279 3.970 1.00 0.00 C ATOM 892 OH TYR A 640 16.557 0.872 3.690 1.00 0.00 O ATOM 0 H TYR A 640 9.360 -2.674 4.724 1.00 0.00 H new ATOM 0 HA TYR A 640 11.540 -2.797 3.070 1.00 0.00 H new ATOM 0 HB2 TYR A 640 10.781 -0.902 4.585 1.00 0.00 H new ATOM 0 HB3 TYR A 640 11.517 -1.747 5.932 1.00 0.00 H new ATOM 0 HD1 TYR A 640 12.823 -1.321 2.441 1.00 0.00 H new ATOM 0 HD2 TYR A 640 13.328 -0.374 6.569 1.00 0.00 H new ATOM 0 HE1 TYR A 640 14.973 -0.255 1.937 1.00 0.00 H new ATOM 0 HE2 TYR A 640 15.474 0.688 6.059 1.00 0.00 H new ATOM 0 HH TYR A 640 16.951 1.220 4.518 1.00 0.00 H new ATOM 902 N GLU A 641 12.032 -4.698 5.715 1.00 0.00 N ATOM 903 CA GLU A 641 12.947 -5.733 6.213 1.00 0.00 C ATOM 904 C GLU A 641 13.069 -6.869 5.198 1.00 0.00 C ATOM 905 O GLU A 641 14.171 -7.260 4.808 1.00 0.00 O ATOM 906 CB GLU A 641 12.497 -6.293 7.568 1.00 0.00 C ATOM 907 CG GLU A 641 12.933 -5.433 8.772 1.00 0.00 C ATOM 908 CD GLU A 641 12.200 -4.113 8.842 1.00 0.00 C ATOM 909 OE1 GLU A 641 11.055 -4.092 9.341 1.00 0.00 O ATOM 910 OE2 GLU A 641 12.775 -3.087 8.420 1.00 0.00 O ATOM 0 H GLU A 641 11.168 -4.590 6.247 1.00 0.00 H new ATOM 0 HA GLU A 641 13.921 -5.263 6.352 1.00 0.00 H new ATOM 0 HB2 GLU A 641 11.411 -6.382 7.571 1.00 0.00 H new ATOM 0 HB3 GLU A 641 12.900 -7.299 7.687 1.00 0.00 H new ATOM 0 HG2 GLU A 641 12.759 -5.990 9.693 1.00 0.00 H new ATOM 0 HG3 GLU A 641 14.005 -5.246 8.710 1.00 0.00 H new ATOM 917 N SER A 642 11.921 -7.374 4.763 1.00 0.00 N ATOM 918 CA SER A 642 11.853 -8.434 3.761 1.00 0.00 C ATOM 919 C SER A 642 12.403 -7.953 2.415 1.00 0.00 C ATOM 920 O SER A 642 13.034 -8.714 1.682 1.00 0.00 O ATOM 921 CB SER A 642 10.408 -8.896 3.610 1.00 0.00 C ATOM 922 OG SER A 642 9.842 -9.207 4.872 1.00 0.00 O ATOM 0 H SER A 642 11.009 -7.061 5.095 1.00 0.00 H new ATOM 0 HA SER A 642 12.468 -9.271 4.092 1.00 0.00 H new ATOM 0 HB2 SER A 642 9.821 -8.115 3.126 1.00 0.00 H new ATOM 0 HB3 SER A 642 10.368 -9.772 2.963 1.00 0.00 H new ATOM 0 HG SER A 642 8.914 -9.499 4.751 1.00 0.00 H new ATOM 928 N ALA A 643 12.106 -6.690 2.103 1.00 0.00 N ATOM 929 CA ALA A 643 12.542 -5.985 0.886 1.00 0.00 C ATOM 930 C ALA A 643 14.058 -5.979 0.651 1.00 0.00 C ATOM 931 O ALA A 643 14.570 -5.124 -0.073 1.00 0.00 O ATOM 932 CB ALA A 643 12.037 -4.555 0.919 1.00 0.00 C ATOM 0 H ALA A 643 11.534 -6.104 2.711 1.00 0.00 H new ATOM 0 HA ALA A 643 12.113 -6.544 0.055 1.00 0.00 H new ATOM 0 HB1 ALA A 643 12.360 -4.034 0.018 1.00 0.00 H new ATOM 0 HB2 ALA A 643 10.948 -4.555 0.967 1.00 0.00 H new ATOM 0 HB3 ALA A 643 12.439 -4.047 1.796 1.00 0.00 H new ATOM 938 N ASN A 644 14.778 -6.905 1.254 1.00 0.00 N ATOM 939 CA ASN A 644 16.218 -6.959 1.086 1.00 0.00 C ATOM 940 C ASN A 644 16.540 -7.700 -0.219 1.00 0.00 C ATOM 941 O ASN A 644 17.649 -8.193 -0.419 1.00 0.00 O ATOM 942 CB ASN A 644 16.901 -7.613 2.306 1.00 0.00 C ATOM 943 CG ASN A 644 18.355 -7.130 2.495 1.00 0.00 C ATOM 944 OD1 ASN A 644 18.602 -6.264 3.335 1.00 0.00 O ATOM 945 ND2 ASN A 644 19.318 -7.613 1.692 1.00 0.00 N ATOM 0 H ASN A 644 14.392 -7.627 1.862 1.00 0.00 H new ATOM 0 HA ASN A 644 16.615 -5.946 1.021 1.00 0.00 H new ATOM 0 HB2 ASN A 644 16.327 -7.388 3.205 1.00 0.00 H new ATOM 0 HB3 ASN A 644 16.894 -8.696 2.186 1.00 0.00 H new ATOM 0 HD21 ASN A 644 20.272 -7.262 1.772 1.00 0.00 H new ATOM 0 HD22 ASN A 644 19.095 -8.330 1.002 1.00 0.00 H new ATOM 952 N SER A 645 15.543 -7.774 -1.112 1.00 0.00 N ATOM 953 CA SER A 645 15.731 -8.310 -2.443 1.00 0.00 C ATOM 954 C SER A 645 14.669 -7.731 -3.374 1.00 0.00 C ATOM 955 O SER A 645 13.551 -7.445 -2.936 1.00 0.00 O ATOM 956 CB SER A 645 15.662 -9.840 -2.431 1.00 0.00 C ATOM 957 OG SER A 645 14.430 -10.291 -1.904 1.00 0.00 O ATOM 0 H SER A 645 14.591 -7.462 -0.921 1.00 0.00 H new ATOM 0 HA SER A 645 16.720 -8.027 -2.804 1.00 0.00 H new ATOM 0 HB2 SER A 645 15.788 -10.221 -3.445 1.00 0.00 H new ATOM 0 HB3 SER A 645 16.483 -10.239 -1.836 1.00 0.00 H new ATOM 0 HG SER A 645 14.411 -11.271 -1.909 1.00 0.00 H new ATOM 963 N ARG A 646 15.023 -7.529 -4.635 1.00 0.00 N ATOM 964 CA ARG A 646 14.089 -6.976 -5.615 1.00 0.00 C ATOM 965 C ARG A 646 12.829 -7.830 -5.718 1.00 0.00 C ATOM 966 O ARG A 646 11.709 -7.313 -5.667 1.00 0.00 O ATOM 967 CB ARG A 646 14.756 -6.866 -6.991 1.00 0.00 C ATOM 968 CG ARG A 646 15.853 -5.813 -7.071 1.00 0.00 C ATOM 969 CD ARG A 646 15.288 -4.398 -7.017 1.00 0.00 C ATOM 970 NE ARG A 646 14.384 -4.125 -8.137 1.00 0.00 N ATOM 971 CZ ARG A 646 14.379 -2.995 -8.849 1.00 0.00 C ATOM 972 NH1 ARG A 646 15.270 -2.039 -8.605 1.00 0.00 N ATOM 973 NH2 ARG A 646 13.490 -2.834 -9.821 1.00 0.00 N ATOM 0 H ARG A 646 15.949 -7.739 -5.007 1.00 0.00 H new ATOM 0 HA ARG A 646 13.804 -5.980 -5.276 1.00 0.00 H new ATOM 0 HB2 ARG A 646 15.178 -7.835 -7.256 1.00 0.00 H new ATOM 0 HB3 ARG A 646 13.993 -6.637 -7.735 1.00 0.00 H new ATOM 0 HG2 ARG A 646 16.554 -5.956 -6.248 1.00 0.00 H new ATOM 0 HG3 ARG A 646 16.415 -5.944 -7.995 1.00 0.00 H new ATOM 0 HD2 ARG A 646 14.754 -4.256 -6.077 1.00 0.00 H new ATOM 0 HD3 ARG A 646 16.108 -3.680 -7.029 1.00 0.00 H new ATOM 0 HE ARG A 646 13.711 -4.849 -8.391 1.00 0.00 H new ATOM 0 HH11 ARG A 646 15.965 -2.165 -7.869 1.00 0.00 H new ATOM 0 HH12 ARG A 646 15.259 -1.179 -9.154 1.00 0.00 H new ATOM 0 HH21 ARG A 646 12.814 -3.571 -10.022 1.00 0.00 H new ATOM 0 HH22 ARG A 646 13.482 -1.973 -10.368 1.00 0.00 H new ATOM 987 N ASP A 647 13.024 -9.138 -5.837 1.00 0.00 N ATOM 988 CA ASP A 647 11.918 -10.071 -6.016 1.00 0.00 C ATOM 989 C ASP A 647 10.947 -10.026 -4.843 1.00 0.00 C ATOM 990 O ASP A 647 9.732 -9.961 -5.037 1.00 0.00 O ATOM 991 CB ASP A 647 12.440 -11.498 -6.193 1.00 0.00 C ATOM 992 CG ASP A 647 11.317 -12.490 -6.417 1.00 0.00 C ATOM 993 OD1 ASP A 647 10.842 -12.604 -7.568 1.00 0.00 O ATOM 994 OD2 ASP A 647 10.899 -13.157 -5.449 1.00 0.00 O ATOM 0 H ASP A 647 13.944 -9.579 -5.813 1.00 0.00 H new ATOM 0 HA ASP A 647 11.383 -9.766 -6.915 1.00 0.00 H new ATOM 0 HB2 ASP A 647 13.126 -11.530 -7.039 1.00 0.00 H new ATOM 0 HB3 ASP A 647 13.009 -11.788 -5.310 1.00 0.00 H new ATOM 999 N GLU A 648 11.485 -10.052 -3.629 1.00 0.00 N ATOM 1000 CA GLU A 648 10.652 -10.065 -2.432 1.00 0.00 C ATOM 1001 C GLU A 648 9.844 -8.778 -2.316 1.00 0.00 C ATOM 1002 O GLU A 648 8.643 -8.816 -2.040 1.00 0.00 O ATOM 1003 CB GLU A 648 11.504 -10.253 -1.173 1.00 0.00 C ATOM 1004 CG GLU A 648 10.683 -10.521 0.083 1.00 0.00 C ATOM 1005 CD GLU A 648 9.940 -11.843 0.026 1.00 0.00 C ATOM 1006 OE1 GLU A 648 8.980 -11.965 -0.764 1.00 0.00 O ATOM 1007 OE2 GLU A 648 10.312 -12.768 0.778 1.00 0.00 O ATOM 0 H GLU A 648 12.489 -10.064 -3.448 1.00 0.00 H new ATOM 0 HA GLU A 648 9.964 -10.906 -2.521 1.00 0.00 H new ATOM 0 HB2 GLU A 648 12.193 -11.083 -1.331 1.00 0.00 H new ATOM 0 HB3 GLU A 648 12.110 -9.360 -1.018 1.00 0.00 H new ATOM 0 HG2 GLU A 648 11.342 -10.517 0.951 1.00 0.00 H new ATOM 0 HG3 GLU A 648 9.966 -9.712 0.223 1.00 0.00 H new ATOM 1014 N TYR A 649 10.504 -7.646 -2.546 1.00 0.00 N ATOM 1015 CA TYR A 649 9.866 -6.346 -2.377 1.00 0.00 C ATOM 1016 C TYR A 649 8.620 -6.232 -3.255 1.00 0.00 C ATOM 1017 O TYR A 649 7.544 -5.873 -2.771 1.00 0.00 O ATOM 1018 CB TYR A 649 10.854 -5.215 -2.702 1.00 0.00 C ATOM 1019 CG TYR A 649 10.477 -3.861 -2.122 1.00 0.00 C ATOM 1020 CD1 TYR A 649 9.404 -3.718 -1.245 1.00 0.00 C ATOM 1021 CD2 TYR A 649 11.212 -2.726 -2.441 1.00 0.00 C ATOM 1022 CE1 TYR A 649 9.076 -2.487 -0.712 1.00 0.00 C ATOM 1023 CE2 TYR A 649 10.890 -1.492 -1.908 1.00 0.00 C ATOM 1024 CZ TYR A 649 9.821 -1.378 -1.046 1.00 0.00 C ATOM 1025 OH TYR A 649 9.497 -0.152 -0.511 1.00 0.00 O ATOM 0 H TYR A 649 11.477 -7.604 -2.849 1.00 0.00 H new ATOM 0 HA TYR A 649 9.559 -6.252 -1.335 1.00 0.00 H new ATOM 0 HB2 TYR A 649 11.840 -5.493 -2.330 1.00 0.00 H new ATOM 0 HB3 TYR A 649 10.936 -5.122 -3.785 1.00 0.00 H new ATOM 0 HD1 TYR A 649 8.818 -4.585 -0.977 1.00 0.00 H new ATOM 0 HD2 TYR A 649 12.050 -2.809 -3.117 1.00 0.00 H new ATOM 0 HE1 TYR A 649 8.239 -2.394 -0.036 1.00 0.00 H new ATOM 0 HE2 TYR A 649 11.474 -0.621 -2.166 1.00 0.00 H new ATOM 0 HH TYR A 649 10.242 0.471 -0.645 1.00 0.00 H new ATOM 1035 N TYR A 650 8.758 -6.560 -4.537 1.00 0.00 N ATOM 1036 CA TYR A 650 7.654 -6.517 -5.467 1.00 0.00 C ATOM 1037 C TYR A 650 6.568 -7.531 -5.115 1.00 0.00 C ATOM 1038 O TYR A 650 5.379 -7.237 -5.246 1.00 0.00 O ATOM 1039 CB TYR A 650 8.180 -6.749 -6.877 1.00 0.00 C ATOM 1040 CG TYR A 650 8.764 -5.512 -7.520 1.00 0.00 C ATOM 1041 CD1 TYR A 650 10.095 -5.160 -7.333 1.00 0.00 C ATOM 1042 CD2 TYR A 650 7.977 -4.696 -8.320 1.00 0.00 C ATOM 1043 CE1 TYR A 650 10.622 -4.029 -7.927 1.00 0.00 C ATOM 1044 CE2 TYR A 650 8.497 -3.567 -8.919 1.00 0.00 C ATOM 1045 CZ TYR A 650 9.819 -3.237 -8.719 1.00 0.00 C ATOM 1046 OH TYR A 650 10.339 -2.115 -9.324 1.00 0.00 O ATOM 0 H TYR A 650 9.640 -6.861 -4.951 1.00 0.00 H new ATOM 0 HA TYR A 650 7.190 -5.532 -5.407 1.00 0.00 H new ATOM 0 HB2 TYR A 650 8.943 -7.527 -6.847 1.00 0.00 H new ATOM 0 HB3 TYR A 650 7.368 -7.123 -7.501 1.00 0.00 H new ATOM 0 HD1 TYR A 650 10.727 -5.780 -6.714 1.00 0.00 H new ATOM 0 HD2 TYR A 650 6.939 -4.949 -8.477 1.00 0.00 H new ATOM 0 HE1 TYR A 650 11.658 -3.767 -7.771 1.00 0.00 H new ATOM 0 HE2 TYR A 650 7.871 -2.945 -9.541 1.00 0.00 H new ATOM 0 HH TYR A 650 9.639 -1.671 -9.847 1.00 0.00 H new ATOM 1056 N HIS A 651 6.979 -8.716 -4.661 1.00 0.00 N ATOM 1057 CA HIS A 651 6.046 -9.813 -4.408 1.00 0.00 C ATOM 1058 C HIS A 651 5.088 -9.450 -3.278 1.00 0.00 C ATOM 1059 O HIS A 651 3.877 -9.642 -3.390 1.00 0.00 O ATOM 1060 CB HIS A 651 6.818 -11.090 -4.054 1.00 0.00 C ATOM 1061 CG HIS A 651 5.973 -12.332 -4.007 1.00 0.00 C ATOM 1062 ND1 HIS A 651 6.213 -13.434 -4.799 1.00 0.00 N ATOM 1063 CD2 HIS A 651 4.899 -12.651 -3.246 1.00 0.00 C ATOM 1064 CE1 HIS A 651 5.324 -14.372 -4.529 1.00 0.00 C ATOM 1065 NE2 HIS A 651 4.516 -13.922 -3.590 1.00 0.00 N ATOM 0 H HIS A 651 7.954 -8.940 -4.461 1.00 0.00 H new ATOM 0 HA HIS A 651 5.464 -9.989 -5.313 1.00 0.00 H new ATOM 0 HB2 HIS A 651 7.614 -11.234 -4.785 1.00 0.00 H new ATOM 0 HB3 HIS A 651 7.297 -10.954 -3.084 1.00 0.00 H new ATOM 0 HD2 HIS A 651 4.431 -12.021 -2.505 1.00 0.00 H new ATOM 0 HE1 HIS A 651 5.268 -15.343 -4.998 1.00 0.00 H new ATOM 0 HE2 HIS A 651 3.733 -14.436 -3.185 1.00 0.00 H new ATOM 1074 N LEU A 652 5.647 -8.925 -2.196 1.00 0.00 N ATOM 1075 CA LEU A 652 4.872 -8.581 -1.008 1.00 0.00 C ATOM 1076 C LEU A 652 3.794 -7.550 -1.322 1.00 0.00 C ATOM 1077 O LEU A 652 2.629 -7.715 -0.952 1.00 0.00 O ATOM 1078 CB LEU A 652 5.804 -8.034 0.069 1.00 0.00 C ATOM 1079 CG LEU A 652 6.852 -9.015 0.591 1.00 0.00 C ATOM 1080 CD1 LEU A 652 7.868 -8.289 1.452 1.00 0.00 C ATOM 1081 CD2 LEU A 652 6.187 -10.128 1.385 1.00 0.00 C ATOM 0 H LEU A 652 6.644 -8.726 -2.115 1.00 0.00 H new ATOM 0 HA LEU A 652 4.380 -9.486 -0.652 1.00 0.00 H new ATOM 0 HB2 LEU A 652 6.317 -7.159 -0.329 1.00 0.00 H new ATOM 0 HB3 LEU A 652 5.199 -7.694 0.910 1.00 0.00 H new ATOM 0 HG LEU A 652 7.368 -9.458 -0.261 1.00 0.00 H new ATOM 0 HD11 LEU A 652 8.609 -9.000 1.818 1.00 0.00 H new ATOM 0 HD12 LEU A 652 8.364 -7.520 0.860 1.00 0.00 H new ATOM 0 HD13 LEU A 652 7.362 -7.825 2.299 1.00 0.00 H new ATOM 0 HD21 LEU A 652 6.947 -10.819 1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 652 5.649 -9.700 2.231 1.00 0.00 H new ATOM 0 HD23 LEU A 652 5.487 -10.664 0.744 1.00 0.00 H new ATOM 1093 N LEU A 653 4.192 -6.481 -1.999 1.00 0.00 N ATOM 1094 CA LEU A 653 3.262 -5.428 -2.376 1.00 0.00 C ATOM 1095 C LEU A 653 2.201 -5.958 -3.339 1.00 0.00 C ATOM 1096 O LEU A 653 1.013 -5.684 -3.171 1.00 0.00 O ATOM 1097 CB LEU A 653 4.020 -4.256 -3.004 1.00 0.00 C ATOM 1098 CG LEU A 653 4.844 -3.418 -2.023 1.00 0.00 C ATOM 1099 CD1 LEU A 653 6.128 -2.953 -2.678 1.00 0.00 C ATOM 1100 CD2 LEU A 653 4.044 -2.218 -1.539 1.00 0.00 C ATOM 0 H LEU A 653 5.154 -6.321 -2.298 1.00 0.00 H new ATOM 0 HA LEU A 653 2.756 -5.077 -1.477 1.00 0.00 H new ATOM 0 HB2 LEU A 653 4.686 -4.645 -3.775 1.00 0.00 H new ATOM 0 HB3 LEU A 653 3.302 -3.604 -3.502 1.00 0.00 H new ATOM 0 HG LEU A 653 5.090 -4.042 -1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 653 6.704 -2.358 -1.969 1.00 0.00 H new ATOM 0 HD12 LEU A 653 6.714 -3.819 -2.985 1.00 0.00 H new ATOM 0 HD13 LEU A 653 5.892 -2.346 -3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 653 4.647 -1.635 -0.843 1.00 0.00 H new ATOM 0 HD22 LEU A 653 3.770 -1.596 -2.391 1.00 0.00 H new ATOM 0 HD23 LEU A 653 3.140 -2.562 -1.036 1.00 0.00 H new ATOM 1112 N ALA A 654 2.638 -6.733 -4.331 1.00 0.00 N ATOM 1113 CA ALA A 654 1.729 -7.312 -5.321 1.00 0.00 C ATOM 1114 C ALA A 654 0.660 -8.181 -4.663 1.00 0.00 C ATOM 1115 O ALA A 654 -0.524 -8.079 -4.996 1.00 0.00 O ATOM 1116 CB ALA A 654 2.509 -8.128 -6.340 1.00 0.00 C ATOM 0 H ALA A 654 3.619 -6.975 -4.471 1.00 0.00 H new ATOM 0 HA ALA A 654 1.226 -6.489 -5.828 1.00 0.00 H new ATOM 0 HB1 ALA A 654 1.820 -8.553 -7.070 1.00 0.00 H new ATOM 0 HB2 ALA A 654 3.226 -7.484 -6.849 1.00 0.00 H new ATOM 0 HB3 ALA A 654 3.040 -8.933 -5.832 1.00 0.00 H new ATOM 1122 N GLU A 655 1.086 -9.030 -3.731 1.00 0.00 N ATOM 1123 CA GLU A 655 0.161 -9.920 -3.017 1.00 0.00 C ATOM 1124 C GLU A 655 -0.943 -9.114 -2.337 1.00 0.00 C ATOM 1125 O GLU A 655 -2.122 -9.467 -2.418 1.00 0.00 O ATOM 1126 CB GLU A 655 0.898 -10.806 -1.990 1.00 0.00 C ATOM 1127 CG GLU A 655 -0.009 -11.410 -0.927 1.00 0.00 C ATOM 1128 CD GLU A 655 0.690 -12.477 -0.114 1.00 0.00 C ATOM 1129 OE1 GLU A 655 1.511 -12.129 0.759 1.00 0.00 O ATOM 1130 OE2 GLU A 655 0.431 -13.679 -0.350 1.00 0.00 O ATOM 0 H GLU A 655 2.062 -9.124 -3.450 1.00 0.00 H new ATOM 0 HA GLU A 655 -0.293 -10.582 -3.755 1.00 0.00 H new ATOM 0 HB2 GLU A 655 1.406 -11.612 -2.520 1.00 0.00 H new ATOM 0 HB3 GLU A 655 1.669 -10.211 -1.500 1.00 0.00 H new ATOM 0 HG2 GLU A 655 -0.360 -10.621 -0.262 1.00 0.00 H new ATOM 0 HG3 GLU A 655 -0.889 -11.839 -1.405 1.00 0.00 H new ATOM 1137 N LYS A 656 -0.562 -8.017 -1.691 1.00 0.00 N ATOM 1138 CA LYS A 656 -1.532 -7.142 -1.044 1.00 0.00 C ATOM 1139 C LYS A 656 -2.523 -6.564 -2.050 1.00 0.00 C ATOM 1140 O LYS A 656 -3.716 -6.484 -1.769 1.00 0.00 O ATOM 1141 CB LYS A 656 -0.844 -6.006 -0.285 1.00 0.00 C ATOM 1142 CG LYS A 656 -0.499 -6.354 1.154 1.00 0.00 C ATOM 1143 CD LYS A 656 0.002 -5.133 1.908 1.00 0.00 C ATOM 1144 CE LYS A 656 0.299 -5.451 3.365 1.00 0.00 C ATOM 1145 NZ LYS A 656 -0.934 -5.719 4.155 1.00 0.00 N ATOM 0 H LYS A 656 0.408 -7.714 -1.602 1.00 0.00 H new ATOM 0 HA LYS A 656 -2.080 -7.756 -0.329 1.00 0.00 H new ATOM 0 HB2 LYS A 656 0.069 -5.730 -0.812 1.00 0.00 H new ATOM 0 HB3 LYS A 656 -1.493 -5.130 -0.292 1.00 0.00 H new ATOM 0 HG2 LYS A 656 -1.379 -6.758 1.654 1.00 0.00 H new ATOM 0 HG3 LYS A 656 0.263 -7.133 1.170 1.00 0.00 H new ATOM 0 HD2 LYS A 656 0.904 -4.754 1.428 1.00 0.00 H new ATOM 0 HD3 LYS A 656 -0.745 -4.341 1.854 1.00 0.00 H new ATOM 0 HE2 LYS A 656 0.955 -6.320 3.417 1.00 0.00 H new ATOM 0 HE3 LYS A 656 0.839 -4.616 3.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 656 -0.706 -6.346 4.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 656 -1.315 -4.822 4.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 656 -1.643 -6.176 3.547 1.00 0.00 H new ATOM 1159 N ILE A 657 -2.041 -6.179 -3.226 1.00 0.00 N ATOM 1160 CA ILE A 657 -2.908 -5.581 -4.232 1.00 0.00 C ATOM 1161 C ILE A 657 -3.978 -6.588 -4.666 1.00 0.00 C ATOM 1162 O ILE A 657 -5.138 -6.231 -4.868 1.00 0.00 O ATOM 1163 CB ILE A 657 -2.117 -5.080 -5.468 1.00 0.00 C ATOM 1164 CG1 ILE A 657 -0.943 -4.200 -5.026 1.00 0.00 C ATOM 1165 CG2 ILE A 657 -3.034 -4.288 -6.394 1.00 0.00 C ATOM 1166 CD1 ILE A 657 -0.119 -3.652 -6.174 1.00 0.00 C ATOM 0 H ILE A 657 -1.064 -6.269 -3.504 1.00 0.00 H new ATOM 0 HA ILE A 657 -3.383 -4.712 -3.777 1.00 0.00 H new ATOM 0 HB ILE A 657 -1.729 -5.945 -6.005 1.00 0.00 H new ATOM 0 HG12 ILE A 657 -1.328 -3.367 -4.438 1.00 0.00 H new ATOM 0 HG13 ILE A 657 -0.294 -4.780 -4.370 1.00 0.00 H new ATOM 0 HG21 ILE A 657 -2.467 -3.941 -7.258 1.00 0.00 H new ATOM 0 HG22 ILE A 657 -3.852 -4.926 -6.729 1.00 0.00 H new ATOM 0 HG23 ILE A 657 -3.439 -3.430 -5.858 1.00 0.00 H new ATOM 0 HD11 ILE A 657 0.692 -3.040 -5.780 1.00 0.00 H new ATOM 0 HD12 ILE A 657 0.297 -4.478 -6.750 1.00 0.00 H new ATOM 0 HD13 ILE A 657 -0.753 -3.043 -6.819 1.00 0.00 H new ATOM 1178 N TYR A 658 -3.577 -7.851 -4.806 1.00 0.00 N ATOM 1179 CA TYR A 658 -4.513 -8.922 -5.117 1.00 0.00 C ATOM 1180 C TYR A 658 -5.527 -9.124 -3.980 1.00 0.00 C ATOM 1181 O TYR A 658 -6.706 -9.371 -4.237 1.00 0.00 O ATOM 1182 CB TYR A 658 -3.780 -10.237 -5.428 1.00 0.00 C ATOM 1183 CG TYR A 658 -2.729 -10.126 -6.523 1.00 0.00 C ATOM 1184 CD1 TYR A 658 -2.928 -9.302 -7.633 1.00 0.00 C ATOM 1185 CD2 TYR A 658 -1.538 -10.850 -6.457 1.00 0.00 C ATOM 1186 CE1 TYR A 658 -1.977 -9.204 -8.630 1.00 0.00 C ATOM 1187 CE2 TYR A 658 -0.587 -10.752 -7.452 1.00 0.00 C ATOM 1188 CZ TYR A 658 -0.810 -9.929 -8.535 1.00 0.00 C ATOM 1189 OH TYR A 658 0.138 -9.834 -9.530 1.00 0.00 O ATOM 0 H TYR A 658 -2.608 -8.154 -4.708 1.00 0.00 H new ATOM 0 HA TYR A 658 -5.060 -8.623 -6.011 1.00 0.00 H new ATOM 0 HB2 TYR A 658 -3.302 -10.597 -4.517 1.00 0.00 H new ATOM 0 HB3 TYR A 658 -4.514 -10.988 -5.720 1.00 0.00 H new ATOM 0 HD1 TYR A 658 -3.841 -8.731 -7.713 1.00 0.00 H new ATOM 0 HD2 TYR A 658 -1.357 -11.498 -5.612 1.00 0.00 H new ATOM 0 HE1 TYR A 658 -2.148 -8.561 -9.481 1.00 0.00 H new ATOM 0 HE2 TYR A 658 0.330 -11.319 -7.382 1.00 0.00 H new ATOM 0 HH TYR A 658 0.902 -10.408 -9.310 1.00 0.00 H new ATOM 1199 N LYS A 659 -5.069 -9.023 -2.726 1.00 0.00 N ATOM 1200 CA LYS A 659 -5.957 -9.140 -1.570 1.00 0.00 C ATOM 1201 C LYS A 659 -7.042 -8.070 -1.629 1.00 0.00 C ATOM 1202 O LYS A 659 -8.211 -8.330 -1.336 1.00 0.00 O ATOM 1203 CB LYS A 659 -5.168 -8.994 -0.264 1.00 0.00 C ATOM 1204 CG LYS A 659 -4.112 -10.067 -0.047 1.00 0.00 C ATOM 1205 CD LYS A 659 -4.735 -11.431 0.199 1.00 0.00 C ATOM 1206 CE LYS A 659 -3.677 -12.491 0.449 1.00 0.00 C ATOM 1207 NZ LYS A 659 -4.280 -13.815 0.757 1.00 0.00 N ATOM 0 H LYS A 659 -4.090 -8.861 -2.490 1.00 0.00 H new ATOM 0 HA LYS A 659 -6.419 -10.127 -1.596 1.00 0.00 H new ATOM 0 HB2 LYS A 659 -4.684 -8.017 -0.253 1.00 0.00 H new ATOM 0 HB3 LYS A 659 -5.866 -9.014 0.573 1.00 0.00 H new ATOM 0 HG2 LYS A 659 -3.460 -10.117 -0.919 1.00 0.00 H new ATOM 0 HG3 LYS A 659 -3.486 -9.795 0.803 1.00 0.00 H new ATOM 0 HD2 LYS A 659 -5.406 -11.376 1.056 1.00 0.00 H new ATOM 0 HD3 LYS A 659 -5.340 -11.716 -0.662 1.00 0.00 H new ATOM 0 HE2 LYS A 659 -3.037 -12.579 -0.429 1.00 0.00 H new ATOM 0 HE3 LYS A 659 -3.041 -12.180 1.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 659 -3.525 -14.511 0.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 659 -4.871 -13.738 1.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 659 -4.867 -14.124 -0.044 1.00 0.00 H new ATOM 1221 N ILE A 660 -6.626 -6.871 -2.020 1.00 0.00 N ATOM 1222 CA ILE A 660 -7.527 -5.737 -2.214 1.00 0.00 C ATOM 1223 C ILE A 660 -8.630 -6.072 -3.216 1.00 0.00 C ATOM 1224 O ILE A 660 -9.783 -5.681 -3.036 1.00 0.00 O ATOM 1225 CB ILE A 660 -6.730 -4.484 -2.667 1.00 0.00 C ATOM 1226 CG1 ILE A 660 -6.634 -3.474 -1.537 1.00 0.00 C ATOM 1227 CG2 ILE A 660 -7.326 -3.813 -3.907 1.00 0.00 C ATOM 1228 CD1 ILE A 660 -5.739 -2.304 -1.867 1.00 0.00 C ATOM 0 H ILE A 660 -5.648 -6.655 -2.213 1.00 0.00 H new ATOM 0 HA ILE A 660 -8.005 -5.516 -1.259 1.00 0.00 H new ATOM 0 HB ILE A 660 -5.734 -4.836 -2.935 1.00 0.00 H new ATOM 0 HG12 ILE A 660 -7.632 -3.106 -1.300 1.00 0.00 H new ATOM 0 HG13 ILE A 660 -6.258 -3.972 -0.643 1.00 0.00 H new ATOM 0 HG21 ILE A 660 -6.725 -2.944 -4.175 1.00 0.00 H new ATOM 0 HG22 ILE A 660 -7.331 -4.520 -4.737 1.00 0.00 H new ATOM 0 HG23 ILE A 660 -8.347 -3.497 -3.694 1.00 0.00 H new ATOM 0 HD11 ILE A 660 -5.711 -1.617 -1.021 1.00 0.00 H new ATOM 0 HD12 ILE A 660 -4.732 -2.664 -2.076 1.00 0.00 H new ATOM 0 HD13 ILE A 660 -6.127 -1.785 -2.743 1.00 0.00 H new ATOM 1240 N GLN A 661 -8.273 -6.823 -4.256 1.00 0.00 N ATOM 1241 CA GLN A 661 -9.207 -7.086 -5.350 1.00 0.00 C ATOM 1242 C GLN A 661 -10.381 -7.907 -4.840 1.00 0.00 C ATOM 1243 O GLN A 661 -11.533 -7.646 -5.183 1.00 0.00 O ATOM 1244 CB GLN A 661 -8.536 -7.807 -6.532 1.00 0.00 C ATOM 1245 CG GLN A 661 -7.464 -6.982 -7.243 1.00 0.00 C ATOM 1246 CD GLN A 661 -6.956 -7.658 -8.500 1.00 0.00 C ATOM 1247 OE1 GLN A 661 -7.685 -8.401 -9.157 1.00 0.00 O ATOM 1248 NE2 GLN A 661 -5.706 -7.403 -8.846 1.00 0.00 N ATOM 0 H GLN A 661 -7.356 -7.256 -4.365 1.00 0.00 H new ATOM 0 HA GLN A 661 -9.559 -6.122 -5.717 1.00 0.00 H new ATOM 0 HB2 GLN A 661 -8.086 -8.732 -6.171 1.00 0.00 H new ATOM 0 HB3 GLN A 661 -9.302 -8.086 -7.255 1.00 0.00 H new ATOM 0 HG2 GLN A 661 -7.872 -6.004 -7.499 1.00 0.00 H new ATOM 0 HG3 GLN A 661 -6.630 -6.811 -6.563 1.00 0.00 H new ATOM 0 HE21 GLN A 661 -5.135 -6.781 -8.274 1.00 0.00 H new ATOM 0 HE22 GLN A 661 -5.312 -7.828 -9.685 1.00 0.00 H new ATOM 1257 N LYS A 662 -10.074 -8.884 -3.997 1.00 0.00 N ATOM 1258 CA LYS A 662 -11.090 -9.747 -3.418 1.00 0.00 C ATOM 1259 C LYS A 662 -12.013 -8.951 -2.501 1.00 0.00 C ATOM 1260 O LYS A 662 -13.235 -9.083 -2.571 1.00 0.00 O ATOM 1261 CB LYS A 662 -10.434 -10.893 -2.649 1.00 0.00 C ATOM 1262 CG LYS A 662 -9.566 -11.786 -3.522 1.00 0.00 C ATOM 1263 CD LYS A 662 -8.904 -12.885 -2.712 1.00 0.00 C ATOM 1264 CE LYS A 662 -8.055 -13.790 -3.589 1.00 0.00 C ATOM 1265 NZ LYS A 662 -7.417 -14.883 -2.808 1.00 0.00 N ATOM 0 H LYS A 662 -9.122 -9.098 -3.699 1.00 0.00 H new ATOM 0 HA LYS A 662 -11.689 -10.166 -4.227 1.00 0.00 H new ATOM 0 HB2 LYS A 662 -9.825 -10.480 -1.845 1.00 0.00 H new ATOM 0 HB3 LYS A 662 -11.210 -11.498 -2.181 1.00 0.00 H new ATOM 0 HG2 LYS A 662 -10.176 -12.230 -4.309 1.00 0.00 H new ATOM 0 HG3 LYS A 662 -8.801 -11.184 -4.013 1.00 0.00 H new ATOM 0 HD2 LYS A 662 -8.281 -12.441 -1.935 1.00 0.00 H new ATOM 0 HD3 LYS A 662 -9.668 -13.477 -2.208 1.00 0.00 H new ATOM 0 HE2 LYS A 662 -8.676 -14.220 -4.374 1.00 0.00 H new ATOM 0 HE3 LYS A 662 -7.283 -13.198 -4.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 662 -6.847 -15.477 -3.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 662 -6.804 -14.473 -2.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 662 -8.153 -15.464 -2.359 1.00 0.00 H new ATOM 1279 N GLU A 663 -11.418 -8.115 -1.653 1.00 0.00 N ATOM 1280 CA GLU A 663 -12.179 -7.274 -0.734 1.00 0.00 C ATOM 1281 C GLU A 663 -13.161 -6.391 -1.493 1.00 0.00 C ATOM 1282 O GLU A 663 -14.344 -6.346 -1.162 1.00 0.00 O ATOM 1283 CB GLU A 663 -11.237 -6.397 0.094 1.00 0.00 C ATOM 1284 CG GLU A 663 -10.609 -7.096 1.291 1.00 0.00 C ATOM 1285 CD GLU A 663 -11.601 -7.339 2.415 1.00 0.00 C ATOM 1286 OE1 GLU A 663 -12.273 -6.375 2.845 1.00 0.00 O ATOM 1287 OE2 GLU A 663 -11.699 -8.490 2.889 1.00 0.00 O ATOM 0 H GLU A 663 -10.407 -8.002 -1.584 1.00 0.00 H new ATOM 0 HA GLU A 663 -12.739 -7.930 -0.067 1.00 0.00 H new ATOM 0 HB2 GLU A 663 -10.441 -6.029 -0.554 1.00 0.00 H new ATOM 0 HB3 GLU A 663 -11.789 -5.526 0.447 1.00 0.00 H new ATOM 0 HG2 GLU A 663 -10.189 -8.049 0.970 1.00 0.00 H new ATOM 0 HG3 GLU A 663 -9.782 -6.493 1.666 1.00 0.00 H new ATOM 1294 N LEU A 664 -12.669 -5.710 -2.525 1.00 0.00 N ATOM 1295 CA LEU A 664 -13.496 -4.795 -3.307 1.00 0.00 C ATOM 1296 C LEU A 664 -14.688 -5.522 -3.923 1.00 0.00 C ATOM 1297 O LEU A 664 -15.817 -5.023 -3.885 1.00 0.00 O ATOM 1298 CB LEU A 664 -12.667 -4.128 -4.410 1.00 0.00 C ATOM 1299 CG LEU A 664 -11.492 -3.276 -3.924 1.00 0.00 C ATOM 1300 CD1 LEU A 664 -10.701 -2.739 -5.105 1.00 0.00 C ATOM 1301 CD2 LEU A 664 -11.984 -2.133 -3.049 1.00 0.00 C ATOM 0 H LEU A 664 -11.701 -5.775 -2.839 1.00 0.00 H new ATOM 0 HA LEU A 664 -13.871 -4.027 -2.631 1.00 0.00 H new ATOM 0 HB2 LEU A 664 -12.282 -4.904 -5.071 1.00 0.00 H new ATOM 0 HB3 LEU A 664 -13.327 -3.499 -5.007 1.00 0.00 H new ATOM 0 HG LEU A 664 -10.835 -3.907 -3.326 1.00 0.00 H new ATOM 0 HD11 LEU A 664 -9.869 -2.135 -4.742 1.00 0.00 H new ATOM 0 HD12 LEU A 664 -10.315 -3.572 -5.693 1.00 0.00 H new ATOM 0 HD13 LEU A 664 -11.350 -2.124 -5.728 1.00 0.00 H new ATOM 0 HD21 LEU A 664 -11.134 -1.539 -2.714 1.00 0.00 H new ATOM 0 HD22 LEU A 664 -12.663 -1.502 -3.622 1.00 0.00 H new ATOM 0 HD23 LEU A 664 -12.508 -2.537 -2.183 1.00 0.00 H new ATOM 1313 N GLU A 665 -14.439 -6.702 -4.478 1.00 0.00 N ATOM 1314 CA GLU A 665 -15.492 -7.486 -5.105 1.00 0.00 C ATOM 1315 C GLU A 665 -16.532 -7.930 -4.085 1.00 0.00 C ATOM 1316 O GLU A 665 -17.732 -7.783 -4.310 1.00 0.00 O ATOM 1317 CB GLU A 665 -14.909 -8.696 -5.833 1.00 0.00 C ATOM 1318 CG GLU A 665 -14.018 -8.312 -7.001 1.00 0.00 C ATOM 1319 CD GLU A 665 -14.680 -7.308 -7.920 1.00 0.00 C ATOM 1320 OE1 GLU A 665 -15.519 -7.714 -8.750 1.00 0.00 O ATOM 1321 OE2 GLU A 665 -14.368 -6.101 -7.810 1.00 0.00 O ATOM 0 H GLU A 665 -13.516 -7.136 -4.506 1.00 0.00 H new ATOM 0 HA GLU A 665 -15.987 -6.848 -5.837 1.00 0.00 H new ATOM 0 HB2 GLU A 665 -14.335 -9.296 -5.127 1.00 0.00 H new ATOM 0 HB3 GLU A 665 -15.724 -9.323 -6.195 1.00 0.00 H new ATOM 0 HG2 GLU A 665 -13.085 -7.895 -6.622 1.00 0.00 H new ATOM 0 HG3 GLU A 665 -13.760 -9.206 -7.568 1.00 0.00 H new ATOM 1328 N GLU A 666 -16.067 -8.453 -2.955 1.00 0.00 N ATOM 1329 CA GLU A 666 -16.963 -8.927 -1.909 1.00 0.00 C ATOM 1330 C GLU A 666 -17.845 -7.797 -1.389 1.00 0.00 C ATOM 1331 O GLU A 666 -19.031 -7.994 -1.128 1.00 0.00 O ATOM 1332 CB GLU A 666 -16.181 -9.546 -0.752 1.00 0.00 C ATOM 1333 CG GLU A 666 -15.375 -10.774 -1.140 1.00 0.00 C ATOM 1334 CD GLU A 666 -14.784 -11.484 0.059 1.00 0.00 C ATOM 1335 OE1 GLU A 666 -14.396 -10.804 1.033 1.00 0.00 O ATOM 1336 OE2 GLU A 666 -14.726 -12.733 0.046 1.00 0.00 O ATOM 0 H GLU A 666 -15.075 -8.559 -2.741 1.00 0.00 H new ATOM 0 HA GLU A 666 -17.599 -9.694 -2.350 1.00 0.00 H new ATOM 0 HB2 GLU A 666 -15.506 -8.796 -0.340 1.00 0.00 H new ATOM 0 HB3 GLU A 666 -16.878 -9.817 0.041 1.00 0.00 H new ATOM 0 HG2 GLU A 666 -16.015 -11.466 -1.688 1.00 0.00 H new ATOM 0 HG3 GLU A 666 -14.572 -10.479 -1.815 1.00 0.00 H new ATOM 1531 N LEU B 845 -5.217 -6.682 3.631 1.00 0.00 N ATOM 1532 CA LEU B 845 -5.642 -5.342 3.992 1.00 0.00 C ATOM 1533 C LEU B 845 -6.909 -5.399 4.831 1.00 0.00 C ATOM 1534 O LEU B 845 -7.843 -6.139 4.510 1.00 0.00 O ATOM 1535 CB LEU B 845 -5.872 -4.478 2.749 1.00 0.00 C ATOM 1536 CG LEU B 845 -4.612 -4.143 1.951 1.00 0.00 C ATOM 1537 CD1 LEU B 845 -4.368 -5.172 0.856 1.00 0.00 C ATOM 1538 CD2 LEU B 845 -4.709 -2.742 1.373 1.00 0.00 C ATOM 0 HA LEU B 845 -4.845 -4.885 4.579 1.00 0.00 H new ATOM 0 HB2 LEU B 845 -6.573 -4.993 2.092 1.00 0.00 H new ATOM 0 HB3 LEU B 845 -6.348 -3.546 3.056 1.00 0.00 H new ATOM 0 HG LEU B 845 -3.759 -4.175 2.628 1.00 0.00 H new ATOM 0 HD11 LEU B 845 -3.466 -4.909 0.304 1.00 0.00 H new ATOM 0 HD12 LEU B 845 -4.245 -6.158 1.304 1.00 0.00 H new ATOM 0 HD13 LEU B 845 -5.219 -5.187 0.175 1.00 0.00 H new ATOM 0 HD21 LEU B 845 -3.804 -2.518 0.808 1.00 0.00 H new ATOM 0 HD22 LEU B 845 -5.574 -2.680 0.713 1.00 0.00 H new ATOM 0 HD23 LEU B 845 -4.818 -2.021 2.183 1.00 0.00 H new ATOM 1550 N PRO B 846 -6.939 -4.632 5.933 1.00 0.00 N ATOM 1551 CA PRO B 846 -8.094 -4.567 6.828 1.00 0.00 C ATOM 1552 C PRO B 846 -9.381 -4.237 6.085 1.00 0.00 C ATOM 1553 O PRO B 846 -9.443 -3.289 5.294 1.00 0.00 O ATOM 1554 CB PRO B 846 -7.739 -3.435 7.793 1.00 0.00 C ATOM 1555 CG PRO B 846 -6.253 -3.384 7.786 1.00 0.00 C ATOM 1556 CD PRO B 846 -5.835 -3.773 6.398 1.00 0.00 C ATOM 0 HA PRO B 846 -8.279 -5.522 7.319 1.00 0.00 H new ATOM 0 HB2 PRO B 846 -8.169 -2.488 7.467 1.00 0.00 H new ATOM 0 HB3 PRO B 846 -8.124 -3.633 8.794 1.00 0.00 H new ATOM 0 HG2 PRO B 846 -5.895 -2.385 8.036 1.00 0.00 H new ATOM 0 HG3 PRO B 846 -5.835 -4.067 8.526 1.00 0.00 H new ATOM 0 HD2 PRO B 846 -5.709 -2.900 5.758 1.00 0.00 H new ATOM 0 HD3 PRO B 846 -4.885 -4.307 6.400 1.00 0.00 H new ATOM 1564 N SER B 847 -10.404 -5.032 6.372 1.00 0.00 N ATOM 1565 CA SER B 847 -11.721 -4.891 5.765 1.00 0.00 C ATOM 1566 C SER B 847 -12.254 -3.474 5.979 1.00 0.00 C ATOM 1567 O SER B 847 -12.862 -2.888 5.086 1.00 0.00 O ATOM 1568 CB SER B 847 -12.688 -5.919 6.370 1.00 0.00 C ATOM 1569 OG SER B 847 -13.899 -5.982 5.641 1.00 0.00 O ATOM 0 H SER B 847 -10.342 -5.801 7.040 1.00 0.00 H new ATOM 0 HA SER B 847 -11.637 -5.072 4.693 1.00 0.00 H new ATOM 0 HB2 SER B 847 -12.217 -6.902 6.380 1.00 0.00 H new ATOM 0 HB3 SER B 847 -12.899 -5.656 7.406 1.00 0.00 H new ATOM 0 HG SER B 847 -13.702 -6.122 4.691 1.00 0.00 H new ATOM 1575 N ASP B 848 -11.993 -2.939 7.168 1.00 0.00 N ATOM 1576 CA ASP B 848 -12.471 -1.614 7.568 1.00 0.00 C ATOM 1577 C ASP B 848 -12.043 -0.531 6.573 1.00 0.00 C ATOM 1578 O ASP B 848 -12.862 0.287 6.149 1.00 0.00 O ATOM 1579 CB ASP B 848 -11.942 -1.267 8.964 1.00 0.00 C ATOM 1580 CG ASP B 848 -12.547 0.004 9.520 1.00 0.00 C ATOM 1581 OD1 ASP B 848 -13.756 0.005 9.836 1.00 0.00 O ATOM 1582 OD2 ASP B 848 -11.813 1.001 9.674 1.00 0.00 O ATOM 0 H ASP B 848 -11.443 -3.411 7.885 1.00 0.00 H new ATOM 0 HA ASP B 848 -13.560 -1.647 7.582 1.00 0.00 H new ATOM 0 HB2 ASP B 848 -12.154 -2.093 9.644 1.00 0.00 H new ATOM 0 HB3 ASP B 848 -10.858 -1.160 8.921 1.00 0.00 H new ATOM 1587 N ILE B 849 -10.761 -0.529 6.202 1.00 0.00 N ATOM 1588 CA ILE B 849 -10.240 0.454 5.250 1.00 0.00 C ATOM 1589 C ILE B 849 -10.883 0.261 3.877 1.00 0.00 C ATOM 1590 O ILE B 849 -11.230 1.224 3.196 1.00 0.00 O ATOM 1591 CB ILE B 849 -8.696 0.372 5.104 1.00 0.00 C ATOM 1592 CG1 ILE B 849 -8.014 0.403 6.481 1.00 0.00 C ATOM 1593 CG2 ILE B 849 -8.189 1.520 4.234 1.00 0.00 C ATOM 1594 CD1 ILE B 849 -8.211 1.695 7.252 1.00 0.00 C ATOM 0 H ILE B 849 -10.067 -1.194 6.544 1.00 0.00 H new ATOM 0 HA ILE B 849 -10.492 1.438 5.646 1.00 0.00 H new ATOM 0 HB ILE B 849 -8.446 -0.573 4.622 1.00 0.00 H new ATOM 0 HG12 ILE B 849 -8.395 -0.424 7.080 1.00 0.00 H new ATOM 0 HG13 ILE B 849 -6.946 0.234 6.347 1.00 0.00 H new ATOM 0 HG21 ILE B 849 -7.105 1.453 4.138 1.00 0.00 H new ATOM 0 HG22 ILE B 849 -8.645 1.457 3.246 1.00 0.00 H new ATOM 0 HG23 ILE B 849 -8.454 2.471 4.696 1.00 0.00 H new ATOM 0 HD11 ILE B 849 -7.696 1.629 8.211 1.00 0.00 H new ATOM 0 HD12 ILE B 849 -7.803 2.527 6.678 1.00 0.00 H new ATOM 0 HD13 ILE B 849 -9.275 1.859 7.422 1.00 0.00 H new ATOM 1606 N MET B 850 -11.045 -0.999 3.492 1.00 0.00 N ATOM 1607 CA MET B 850 -11.633 -1.357 2.204 1.00 0.00 C ATOM 1608 C MET B 850 -13.062 -0.841 2.083 1.00 0.00 C ATOM 1609 O MET B 850 -13.492 -0.422 1.011 1.00 0.00 O ATOM 1610 CB MET B 850 -11.598 -2.875 2.008 1.00 0.00 C ATOM 1611 CG MET B 850 -10.192 -3.456 1.920 1.00 0.00 C ATOM 1612 SD MET B 850 -9.468 -3.366 0.264 1.00 0.00 S ATOM 1613 CE MET B 850 -9.245 -1.603 0.024 1.00 0.00 C ATOM 0 H MET B 850 -10.774 -1.801 4.061 1.00 0.00 H new ATOM 0 HA MET B 850 -11.039 -0.884 1.422 1.00 0.00 H new ATOM 0 HB2 MET B 850 -12.125 -3.350 2.835 1.00 0.00 H new ATOM 0 HB3 MET B 850 -12.142 -3.126 1.097 1.00 0.00 H new ATOM 0 HG2 MET B 850 -9.545 -2.925 2.619 1.00 0.00 H new ATOM 0 HG3 MET B 850 -10.219 -4.498 2.239 1.00 0.00 H new ATOM 0 HE1 MET B 850 -8.483 -1.433 -0.737 1.00 0.00 H new ATOM 0 HE2 MET B 850 -10.186 -1.158 -0.299 1.00 0.00 H new ATOM 0 HE3 MET B 850 -8.930 -1.145 0.962 1.00 0.00 H new