USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 572 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 Single : A 455 THR OG1 : rot 180:sc= 0 USER MOD Single : A 462 TYR OH : rot 180:sc= 0 USER MOD Single : A 464 THR OG1 : rot 38:sc= -0.217 USER MOD Single : A 466 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 468 MET CE :methyl -119:sc= -0.806 (180deg=-3.53!) USER MOD Single : A 469 THR OG1 : rot 180:sc= 0 USER MOD Single : A 470 THR OG1 : rot 180:sc= 0 USER MOD Single : A 471 LYS NZ :NH3+ 161:sc= -0.133 (180deg=-0.505) USER MOD Single : A 475 LYS NZ :NH3+ 163:sc= -0.177 (180deg=-0.823) USER MOD Single : A 476 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 478 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 479 THR OG1 : rot 180:sc= 0 USER MOD Single : A 480 LYS NZ :NH3+ 167:sc= -0.006 (180deg=-0.127) USER MOD Single : A 481 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 482 THR OG1 : rot 180:sc= 0.0372 USER MOD Single : A 485 SER OG : rot 180:sc= 0 USER MOD Single : A 486 SER OG : rot 180:sc= 0 USER MOD Single : A 488 GLN : amide:sc= -0.0888 X(o=-0.089,f=-0.27) USER MOD Single : A 489 THR OG1 : rot 73:sc= 1.04 USER MOD Single : A 491 ASN : amide:sc= -1.75 K(o=-1.7,f=-2.6) USER MOD Single : A 495 GLN : amide:sc= 0.11 X(o=0.11,f=0) USER MOD Single : A 498 LYS NZ :NH3+ 177:sc= -0.924 (180deg=-0.985) USER MOD Single : A 501 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 505 LYS NZ :NH3+ 161:sc= -1.15 (180deg=-1.83!) USER MOD Single : A 506 MET CE :methyl -164:sc= -0.0811 (180deg=-0.415) USER MOD Single : A 508 ASN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 511 MET CE :methyl 163:sc= -0.0274 (180deg=-0.344) USER MOD Single : A 512 HIS : no HD1:sc= -0.436 X(o=-0.44,f=-0.48) USER MOD Single : A 514 SER OG : rot 180:sc= 0 USER MOD Single : A 516 LYS NZ :NH3+ -109:sc= -0.0281 (180deg=-0.54) USER MOD ----------------------------------------------------------------- ATOM 45 N VAL A 454 -9.613 1.027 2.987 1.00 0.00 N ATOM 46 CA VAL A 454 -8.655 0.002 2.609 1.00 0.00 C ATOM 47 C VAL A 454 -8.266 -0.857 3.808 1.00 0.00 C ATOM 48 O VAL A 454 -8.036 -0.344 4.903 1.00 0.00 O ATOM 49 CB VAL A 454 -7.385 0.628 2.007 1.00 0.00 C ATOM 50 CG1 VAL A 454 -7.646 1.107 0.587 1.00 0.00 C ATOM 51 CG2 VAL A 454 -6.884 1.770 2.880 1.00 0.00 C ATOM 0 HA VAL A 454 -9.137 -0.626 1.860 1.00 0.00 H new ATOM 0 HB VAL A 454 -6.609 -0.137 1.971 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -6.736 1.547 0.178 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -7.951 0.263 -0.032 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -8.438 1.855 0.595 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -5.985 2.199 2.437 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -7.655 2.537 2.953 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -6.653 1.392 3.876 1.00 0.00 H new ATOM 61 N THR A 455 -8.196 -2.167 3.593 1.00 0.00 N ATOM 62 CA THR A 455 -7.836 -3.097 4.657 1.00 0.00 C ATOM 63 C THR A 455 -6.327 -3.116 4.876 1.00 0.00 C ATOM 64 O THR A 455 -5.557 -3.358 3.946 1.00 0.00 O ATOM 65 CB THR A 455 -8.332 -4.504 4.320 1.00 0.00 C ATOM 66 OG1 THR A 455 -9.714 -4.488 4.008 1.00 0.00 O ATOM 67 CG2 THR A 455 -8.128 -5.496 5.446 1.00 0.00 C ATOM 0 H THR A 455 -8.384 -2.608 2.693 1.00 0.00 H new ATOM 0 HA THR A 455 -8.314 -2.761 5.577 1.00 0.00 H new ATOM 0 HB THR A 455 -7.737 -4.822 3.464 1.00 0.00 H new ATOM 0 HG1 THR A 455 -10.012 -5.397 3.794 1.00 0.00 H new ATOM 0 HG21 THR A 455 -8.501 -6.474 5.142 1.00 0.00 H new ATOM 0 HG22 THR A 455 -7.066 -5.569 5.678 1.00 0.00 H new ATOM 0 HG23 THR A 455 -8.670 -5.160 6.330 1.00 0.00 H new ATOM 75 N GLU A 456 -5.910 -2.858 6.111 1.00 0.00 N ATOM 76 CA GLU A 456 -4.493 -2.844 6.454 1.00 0.00 C ATOM 77 C GLU A 456 -3.898 -4.246 6.370 1.00 0.00 C ATOM 78 O GLU A 456 -2.747 -4.421 5.968 1.00 0.00 O ATOM 79 CB GLU A 456 -4.293 -2.276 7.860 1.00 0.00 C ATOM 80 CG GLU A 456 -2.833 -2.127 8.255 1.00 0.00 C ATOM 81 CD GLU A 456 -2.660 -1.648 9.684 1.00 0.00 C ATOM 82 OE1 GLU A 456 -3.680 -1.498 10.390 1.00 0.00 O ATOM 83 OE2 GLU A 456 -1.503 -1.424 10.099 1.00 0.00 O ATOM 0 H GLU A 456 -6.534 -2.656 6.892 1.00 0.00 H new ATOM 0 HA GLU A 456 -3.978 -2.207 5.735 1.00 0.00 H new ATOM 0 HB2 GLU A 456 -4.778 -1.302 7.922 1.00 0.00 H new ATOM 0 HB3 GLU A 456 -4.791 -2.926 8.579 1.00 0.00 H new ATOM 0 HG2 GLU A 456 -2.328 -3.085 8.134 1.00 0.00 H new ATOM 0 HG3 GLU A 456 -2.348 -1.423 7.579 1.00 0.00 H new ATOM 90 N ASP A 457 -4.688 -5.243 6.754 1.00 0.00 N ATOM 91 CA ASP A 457 -4.239 -6.630 6.722 1.00 0.00 C ATOM 92 C ASP A 457 -4.036 -7.105 5.286 1.00 0.00 C ATOM 93 O ASP A 457 -3.091 -7.837 4.992 1.00 0.00 O ATOM 94 CB ASP A 457 -5.251 -7.532 7.430 1.00 0.00 C ATOM 95 CG ASP A 457 -5.358 -7.230 8.913 1.00 0.00 C ATOM 96 OD1 ASP A 457 -4.444 -6.572 9.452 1.00 0.00 O ATOM 97 OD2 ASP A 457 -6.355 -7.654 9.534 1.00 0.00 O ATOM 0 H ASP A 457 -5.642 -5.116 7.091 1.00 0.00 H new ATOM 0 HA ASP A 457 -3.283 -6.687 7.243 1.00 0.00 H new ATOM 0 HB2 ASP A 457 -6.230 -7.410 6.966 1.00 0.00 H new ATOM 0 HB3 ASP A 457 -4.962 -8.574 7.294 1.00 0.00 H new ATOM 102 N ALA A 458 -4.930 -6.685 4.397 1.00 0.00 N ATOM 103 CA ALA A 458 -4.850 -7.068 2.993 1.00 0.00 C ATOM 104 C ALA A 458 -3.664 -6.400 2.305 1.00 0.00 C ATOM 105 O ALA A 458 -2.868 -7.061 1.638 1.00 0.00 O ATOM 106 CB ALA A 458 -6.145 -6.716 2.276 1.00 0.00 C ATOM 0 H ALA A 458 -5.718 -6.079 4.624 1.00 0.00 H new ATOM 0 HA ALA A 458 -4.701 -8.147 2.946 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -6.072 -7.007 1.228 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -6.975 -7.246 2.743 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -6.317 -5.642 2.343 1.00 0.00 H new ATOM 112 N VAL A 459 -3.552 -5.086 2.471 1.00 0.00 N ATOM 113 CA VAL A 459 -2.463 -4.330 1.864 1.00 0.00 C ATOM 114 C VAL A 459 -1.106 -4.843 2.337 1.00 0.00 C ATOM 115 O VAL A 459 -0.163 -4.948 1.552 1.00 0.00 O ATOM 116 CB VAL A 459 -2.577 -2.826 2.187 1.00 0.00 C ATOM 117 CG1 VAL A 459 -2.458 -2.586 3.685 1.00 0.00 C ATOM 118 CG2 VAL A 459 -1.524 -2.034 1.427 1.00 0.00 C ATOM 0 H VAL A 459 -4.202 -4.523 3.020 1.00 0.00 H new ATOM 0 HA VAL A 459 -2.542 -4.469 0.786 1.00 0.00 H new ATOM 0 HB VAL A 459 -3.560 -2.481 1.866 1.00 0.00 H new ATOM 0 HG11 VAL A 459 -2.541 -1.519 3.890 1.00 0.00 H new ATOM 0 HG12 VAL A 459 -3.256 -3.118 4.203 1.00 0.00 H new ATOM 0 HG13 VAL A 459 -1.492 -2.949 4.036 1.00 0.00 H new ATOM 0 HG21 VAL A 459 -1.621 -0.975 1.668 1.00 0.00 H new ATOM 0 HG22 VAL A 459 -0.531 -2.382 1.712 1.00 0.00 H new ATOM 0 HG23 VAL A 459 -1.665 -2.176 0.356 1.00 0.00 H new ATOM 128 N ARG A 460 -1.016 -5.161 3.624 1.00 0.00 N ATOM 129 CA ARG A 460 0.224 -5.664 4.203 1.00 0.00 C ATOM 130 C ARG A 460 0.653 -6.966 3.534 1.00 0.00 C ATOM 131 O ARG A 460 1.843 -7.214 3.340 1.00 0.00 O ATOM 132 CB ARG A 460 0.054 -5.883 5.708 1.00 0.00 C ATOM 133 CG ARG A 460 1.330 -6.321 6.407 1.00 0.00 C ATOM 134 CD ARG A 460 1.100 -6.554 7.891 1.00 0.00 C ATOM 135 NE ARG A 460 0.338 -7.775 8.142 1.00 0.00 N ATOM 136 CZ ARG A 460 0.009 -8.208 9.357 1.00 0.00 C ATOM 137 NH1 ARG A 460 0.373 -7.523 10.434 1.00 0.00 N ATOM 138 NH2 ARG A 460 -0.686 -9.328 9.496 1.00 0.00 N ATOM 0 H ARG A 460 -1.788 -5.079 4.286 1.00 0.00 H new ATOM 0 HA ARG A 460 1.002 -4.919 4.034 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -0.301 -4.958 6.163 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -0.717 -6.636 5.872 1.00 0.00 H new ATOM 0 HG2 ARG A 460 1.702 -7.237 5.947 1.00 0.00 H new ATOM 0 HG3 ARG A 460 2.099 -5.561 6.272 1.00 0.00 H new ATOM 0 HD2 ARG A 460 2.061 -6.615 8.402 1.00 0.00 H new ATOM 0 HD3 ARG A 460 0.568 -5.702 8.314 1.00 0.00 H new ATOM 0 HE ARG A 460 0.040 -8.329 7.339 1.00 0.00 H new ATOM 0 HH11 ARG A 460 0.908 -6.660 10.333 1.00 0.00 H new ATOM 0 HH12 ARG A 460 0.118 -7.859 11.363 1.00 0.00 H new ATOM 0 HH21 ARG A 460 -0.969 -9.858 8.672 1.00 0.00 H new ATOM 0 HH22 ARG A 460 -0.938 -9.660 10.427 1.00 0.00 H new ATOM 152 N ARG A 461 -0.326 -7.796 3.186 1.00 0.00 N ATOM 153 CA ARG A 461 -0.052 -9.076 2.542 1.00 0.00 C ATOM 154 C ARG A 461 0.727 -8.883 1.244 1.00 0.00 C ATOM 155 O ARG A 461 1.652 -9.639 0.946 1.00 0.00 O ATOM 156 CB ARG A 461 -1.360 -9.816 2.259 1.00 0.00 C ATOM 157 CG ARG A 461 -1.159 -11.215 1.700 1.00 0.00 C ATOM 158 CD ARG A 461 -2.487 -11.908 1.440 1.00 0.00 C ATOM 159 NE ARG A 461 -2.309 -13.306 1.055 1.00 0.00 N ATOM 160 CZ ARG A 461 -2.045 -14.284 1.917 1.00 0.00 C ATOM 161 NH1 ARG A 461 -1.926 -14.022 3.213 1.00 0.00 N ATOM 162 NH2 ARG A 461 -1.898 -15.529 1.483 1.00 0.00 N ATOM 0 H ARG A 461 -1.316 -7.605 3.339 1.00 0.00 H new ATOM 0 HA ARG A 461 0.558 -9.671 3.222 1.00 0.00 H new ATOM 0 HB2 ARG A 461 -1.937 -9.882 3.181 1.00 0.00 H new ATOM 0 HB3 ARG A 461 -1.952 -9.233 1.553 1.00 0.00 H new ATOM 0 HG2 ARG A 461 -0.589 -11.159 0.773 1.00 0.00 H new ATOM 0 HG3 ARG A 461 -0.570 -11.807 2.401 1.00 0.00 H new ATOM 0 HD2 ARG A 461 -3.105 -11.855 2.336 1.00 0.00 H new ATOM 0 HD3 ARG A 461 -3.023 -11.380 0.651 1.00 0.00 H new ATOM 0 HE ARG A 461 -2.392 -13.546 0.067 1.00 0.00 H new ATOM 0 HH11 ARG A 461 -2.037 -13.067 3.552 1.00 0.00 H new ATOM 0 HH12 ARG A 461 -1.724 -14.776 3.869 1.00 0.00 H new ATOM 0 HH21 ARG A 461 -1.987 -15.736 0.488 1.00 0.00 H new ATOM 0 HH22 ARG A 461 -1.696 -16.279 2.144 1.00 0.00 H new ATOM 176 N TYR A 462 0.345 -7.870 0.473 1.00 0.00 N ATOM 177 CA TYR A 462 1.007 -7.583 -0.795 1.00 0.00 C ATOM 178 C TYR A 462 2.458 -7.165 -0.575 1.00 0.00 C ATOM 179 O TYR A 462 3.360 -7.627 -1.274 1.00 0.00 O ATOM 180 CB TYR A 462 0.257 -6.483 -1.548 1.00 0.00 C ATOM 181 CG TYR A 462 -1.136 -6.886 -1.979 1.00 0.00 C ATOM 182 CD1 TYR A 462 -1.348 -7.540 -3.186 1.00 0.00 C ATOM 183 CD2 TYR A 462 -2.238 -6.612 -1.178 1.00 0.00 C ATOM 184 CE1 TYR A 462 -2.619 -7.910 -3.583 1.00 0.00 C ATOM 185 CE2 TYR A 462 -3.512 -6.979 -1.568 1.00 0.00 C ATOM 186 CZ TYR A 462 -3.697 -7.628 -2.771 1.00 0.00 C ATOM 187 OH TYR A 462 -4.964 -7.995 -3.163 1.00 0.00 O ATOM 0 H TYR A 462 -0.419 -7.235 0.704 1.00 0.00 H new ATOM 0 HA TYR A 462 0.999 -8.495 -1.392 1.00 0.00 H new ATOM 0 HB2 TYR A 462 0.190 -5.600 -0.913 1.00 0.00 H new ATOM 0 HB3 TYR A 462 0.833 -6.199 -2.429 1.00 0.00 H new ATOM 0 HD1 TYR A 462 -0.506 -7.763 -3.825 1.00 0.00 H new ATOM 0 HD2 TYR A 462 -2.097 -6.104 -0.235 1.00 0.00 H new ATOM 0 HE1 TYR A 462 -2.767 -8.418 -4.525 1.00 0.00 H new ATOM 0 HE2 TYR A 462 -4.358 -6.759 -0.934 1.00 0.00 H new ATOM 0 HH TYR A 462 -5.610 -7.724 -2.478 1.00 0.00 H new ATOM 197 N LEU A 463 2.676 -6.287 0.399 1.00 0.00 N ATOM 198 CA LEU A 463 4.018 -5.806 0.708 1.00 0.00 C ATOM 199 C LEU A 463 4.888 -6.930 1.261 1.00 0.00 C ATOM 200 O LEU A 463 6.086 -6.994 0.985 1.00 0.00 O ATOM 201 CB LEU A 463 3.951 -4.655 1.712 1.00 0.00 C ATOM 202 CG LEU A 463 3.241 -3.398 1.208 1.00 0.00 C ATOM 203 CD1 LEU A 463 2.986 -2.433 2.355 1.00 0.00 C ATOM 204 CD2 LEU A 463 4.060 -2.727 0.116 1.00 0.00 C ATOM 0 H LEU A 463 1.941 -5.894 0.987 1.00 0.00 H new ATOM 0 HA LEU A 463 4.469 -5.446 -0.217 1.00 0.00 H new ATOM 0 HB2 LEU A 463 3.443 -5.006 2.610 1.00 0.00 H new ATOM 0 HB3 LEU A 463 4.967 -4.388 2.004 1.00 0.00 H new ATOM 0 HG LEU A 463 2.279 -3.690 0.786 1.00 0.00 H new ATOM 0 HD11 LEU A 463 2.480 -1.544 1.977 1.00 0.00 H new ATOM 0 HD12 LEU A 463 2.359 -2.916 3.105 1.00 0.00 H new ATOM 0 HD13 LEU A 463 3.936 -2.145 2.807 1.00 0.00 H new ATOM 0 HD21 LEU A 463 3.541 -1.834 -0.232 1.00 0.00 H new ATOM 0 HD22 LEU A 463 5.036 -2.448 0.513 1.00 0.00 H new ATOM 0 HD23 LEU A 463 4.191 -3.418 -0.717 1.00 0.00 H new ATOM 216 N THR A 464 4.278 -7.814 2.043 1.00 0.00 N ATOM 217 CA THR A 464 4.997 -8.934 2.635 1.00 0.00 C ATOM 218 C THR A 464 5.386 -9.957 1.572 1.00 0.00 C ATOM 219 O THR A 464 6.402 -10.642 1.699 1.00 0.00 O ATOM 220 CB THR A 464 4.143 -9.602 3.713 1.00 0.00 C ATOM 221 OG1 THR A 464 2.783 -9.660 3.315 1.00 0.00 O ATOM 222 CG2 THR A 464 4.206 -8.895 5.051 1.00 0.00 C ATOM 0 H THR A 464 3.287 -7.776 2.281 1.00 0.00 H new ATOM 0 HA THR A 464 5.909 -8.547 3.090 1.00 0.00 H new ATOM 0 HB THR A 464 4.559 -10.602 3.832 1.00 0.00 H new ATOM 0 HG1 THR A 464 2.731 -9.853 2.356 1.00 0.00 H new ATOM 0 HG21 THR A 464 3.578 -9.421 5.770 1.00 0.00 H new ATOM 0 HG22 THR A 464 5.236 -8.884 5.409 1.00 0.00 H new ATOM 0 HG23 THR A 464 3.850 -7.871 4.939 1.00 0.00 H new ATOM 230 N ARG A 465 4.573 -10.057 0.526 1.00 0.00 N ATOM 231 CA ARG A 465 4.835 -10.998 -0.557 1.00 0.00 C ATOM 232 C ARG A 465 5.811 -10.410 -1.568 1.00 0.00 C ATOM 233 O ARG A 465 6.774 -11.062 -1.970 1.00 0.00 O ATOM 234 CB ARG A 465 3.528 -11.383 -1.255 1.00 0.00 C ATOM 235 CG ARG A 465 2.890 -12.644 -0.696 1.00 0.00 C ATOM 236 CD ARG A 465 2.059 -12.347 0.542 1.00 0.00 C ATOM 237 NE ARG A 465 1.556 -13.567 1.170 1.00 0.00 N ATOM 238 CZ ARG A 465 2.323 -14.431 1.830 1.00 0.00 C ATOM 239 NH1 ARG A 465 3.627 -14.214 1.952 1.00 0.00 N ATOM 240 NH2 ARG A 465 1.785 -15.516 2.371 1.00 0.00 N ATOM 0 H ARG A 465 3.728 -9.499 0.405 1.00 0.00 H new ATOM 0 HA ARG A 465 5.285 -11.892 -0.125 1.00 0.00 H new ATOM 0 HB2 ARG A 465 2.821 -10.558 -1.166 1.00 0.00 H new ATOM 0 HB3 ARG A 465 3.721 -11.524 -2.318 1.00 0.00 H new ATOM 0 HG2 ARG A 465 2.259 -13.102 -1.458 1.00 0.00 H new ATOM 0 HG3 ARG A 465 3.667 -13.367 -0.449 1.00 0.00 H new ATOM 0 HD2 ARG A 465 2.664 -11.793 1.260 1.00 0.00 H new ATOM 0 HD3 ARG A 465 1.220 -11.707 0.270 1.00 0.00 H new ATOM 0 HE ARG A 465 0.559 -13.768 1.098 1.00 0.00 H new ATOM 0 HH11 ARG A 465 4.046 -13.381 1.539 1.00 0.00 H new ATOM 0 HH12 ARG A 465 4.210 -14.880 2.459 1.00 0.00 H new ATOM 0 HH21 ARG A 465 0.784 -15.688 2.281 1.00 0.00 H new ATOM 0 HH22 ARG A 465 2.373 -16.179 2.877 1.00 0.00 H new ATOM 254 N LYS A 466 5.554 -9.174 -1.974 1.00 0.00 N ATOM 255 CA LYS A 466 6.408 -8.492 -2.940 1.00 0.00 C ATOM 256 C LYS A 466 6.475 -6.994 -2.648 1.00 0.00 C ATOM 257 O LYS A 466 5.475 -6.384 -2.269 1.00 0.00 O ATOM 258 CB LYS A 466 5.890 -8.725 -4.361 1.00 0.00 C ATOM 259 CG LYS A 466 6.991 -8.972 -5.379 1.00 0.00 C ATOM 260 CD LYS A 466 7.286 -7.724 -6.196 1.00 0.00 C ATOM 261 CE LYS A 466 8.541 -7.893 -7.037 1.00 0.00 C ATOM 262 NZ LYS A 466 8.572 -6.946 -8.185 1.00 0.00 N ATOM 0 H LYS A 466 4.760 -8.622 -1.650 1.00 0.00 H new ATOM 0 HA LYS A 466 7.413 -8.904 -2.854 1.00 0.00 H new ATOM 0 HB2 LYS A 466 5.213 -9.579 -4.356 1.00 0.00 H new ATOM 0 HB3 LYS A 466 5.307 -7.858 -4.672 1.00 0.00 H new ATOM 0 HG2 LYS A 466 7.897 -9.294 -4.866 1.00 0.00 H new ATOM 0 HG3 LYS A 466 6.697 -9.783 -6.045 1.00 0.00 H new ATOM 0 HD2 LYS A 466 6.439 -7.504 -6.845 1.00 0.00 H new ATOM 0 HD3 LYS A 466 7.406 -6.871 -5.528 1.00 0.00 H new ATOM 0 HE2 LYS A 466 9.420 -7.735 -6.413 1.00 0.00 H new ATOM 0 HE3 LYS A 466 8.594 -8.916 -7.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 9.443 -7.093 -8.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 7.747 -7.113 -8.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 8.548 -5.969 -7.830 1.00 0.00 H new ATOM 276 N PRO A 467 7.657 -6.377 -2.823 1.00 0.00 N ATOM 277 CA PRO A 467 7.842 -4.943 -2.577 1.00 0.00 C ATOM 278 C PRO A 467 7.120 -4.083 -3.610 1.00 0.00 C ATOM 279 O PRO A 467 7.262 -4.294 -4.815 1.00 0.00 O ATOM 280 CB PRO A 467 9.356 -4.753 -2.688 1.00 0.00 C ATOM 281 CG PRO A 467 9.814 -5.864 -3.568 1.00 0.00 C ATOM 282 CD PRO A 467 8.903 -7.024 -3.276 1.00 0.00 C ATOM 0 HA PRO A 467 7.432 -4.639 -1.614 1.00 0.00 H new ATOM 0 HB2 PRO A 467 9.603 -3.781 -3.116 1.00 0.00 H new ATOM 0 HB3 PRO A 467 9.834 -4.801 -1.709 1.00 0.00 H new ATOM 0 HG2 PRO A 467 9.758 -5.578 -4.618 1.00 0.00 H new ATOM 0 HG3 PRO A 467 10.853 -6.122 -3.363 1.00 0.00 H new ATOM 0 HD2 PRO A 467 8.738 -7.638 -4.162 1.00 0.00 H new ATOM 0 HD3 PRO A 467 9.318 -7.677 -2.509 1.00 0.00 H new ATOM 290 N MET A 468 6.345 -3.116 -3.132 1.00 0.00 N ATOM 291 CA MET A 468 5.601 -2.227 -4.017 1.00 0.00 C ATOM 292 C MET A 468 5.723 -0.776 -3.562 1.00 0.00 C ATOM 293 O MET A 468 5.863 -0.498 -2.371 1.00 0.00 O ATOM 294 CB MET A 468 4.128 -2.637 -4.062 1.00 0.00 C ATOM 295 CG MET A 468 3.911 -4.071 -4.517 1.00 0.00 C ATOM 296 SD MET A 468 2.165 -4.489 -4.689 1.00 0.00 S ATOM 297 CE MET A 468 1.752 -3.606 -6.191 1.00 0.00 C ATOM 0 H MET A 468 6.215 -2.928 -2.138 1.00 0.00 H new ATOM 0 HA MET A 468 6.027 -2.311 -5.017 1.00 0.00 H new ATOM 0 HB2 MET A 468 3.693 -2.509 -3.071 1.00 0.00 H new ATOM 0 HB3 MET A 468 3.593 -1.966 -4.734 1.00 0.00 H new ATOM 0 HG2 MET A 468 4.413 -4.225 -5.472 1.00 0.00 H new ATOM 0 HG3 MET A 468 4.374 -4.749 -3.800 1.00 0.00 H new ATOM 0 HE1 MET A 468 0.978 -2.868 -5.978 1.00 0.00 H new ATOM 0 HE2 MET A 468 2.640 -3.101 -6.572 1.00 0.00 H new ATOM 0 HE3 MET A 468 1.386 -4.310 -6.938 1.00 0.00 H new ATOM 307 N THR A 469 5.666 0.145 -4.518 1.00 0.00 N ATOM 308 CA THR A 469 5.767 1.568 -4.216 1.00 0.00 C ATOM 309 C THR A 469 4.409 2.134 -3.813 1.00 0.00 C ATOM 310 O THR A 469 3.378 1.486 -3.992 1.00 0.00 O ATOM 311 CB THR A 469 6.313 2.331 -5.424 1.00 0.00 C ATOM 312 OG1 THR A 469 5.348 2.389 -6.459 1.00 0.00 O ATOM 313 CG2 THR A 469 7.570 1.716 -6.003 1.00 0.00 C ATOM 0 H THR A 469 5.550 -0.069 -5.509 1.00 0.00 H new ATOM 0 HA THR A 469 6.455 1.689 -3.379 1.00 0.00 H new ATOM 0 HB THR A 469 6.553 3.327 -5.051 1.00 0.00 H new ATOM 0 HG1 THR A 469 5.716 2.882 -7.222 1.00 0.00 H new ATOM 0 HG21 THR A 469 7.904 2.306 -6.856 1.00 0.00 H new ATOM 0 HG22 THR A 469 8.352 1.702 -5.243 1.00 0.00 H new ATOM 0 HG23 THR A 469 7.360 0.696 -6.327 1.00 0.00 H new ATOM 321 N THR A 470 4.416 3.345 -3.266 1.00 0.00 N ATOM 322 CA THR A 470 3.184 3.998 -2.835 1.00 0.00 C ATOM 323 C THR A 470 2.192 4.112 -3.989 1.00 0.00 C ATOM 324 O THR A 470 1.000 3.855 -3.824 1.00 0.00 O ATOM 325 CB THR A 470 3.488 5.386 -2.272 1.00 0.00 C ATOM 326 OG1 THR A 470 4.292 6.128 -3.172 1.00 0.00 O ATOM 327 CG2 THR A 470 4.206 5.348 -0.940 1.00 0.00 C ATOM 0 H THR A 470 5.261 3.895 -3.110 1.00 0.00 H new ATOM 0 HA THR A 470 2.734 3.385 -2.053 1.00 0.00 H new ATOM 0 HB THR A 470 2.516 5.858 -2.129 1.00 0.00 H new ATOM 0 HG1 THR A 470 4.474 7.014 -2.794 1.00 0.00 H new ATOM 0 HG21 THR A 470 4.391 6.366 -0.597 1.00 0.00 H new ATOM 0 HG22 THR A 470 3.589 4.826 -0.209 1.00 0.00 H new ATOM 0 HG23 THR A 470 5.156 4.825 -1.053 1.00 0.00 H new ATOM 335 N LYS A 471 2.693 4.501 -5.157 1.00 0.00 N ATOM 336 CA LYS A 471 1.850 4.650 -6.338 1.00 0.00 C ATOM 337 C LYS A 471 1.181 3.328 -6.701 1.00 0.00 C ATOM 338 O LYS A 471 0.005 3.296 -7.064 1.00 0.00 O ATOM 339 CB LYS A 471 2.677 5.158 -7.520 1.00 0.00 C ATOM 340 CG LYS A 471 3.236 6.557 -7.316 1.00 0.00 C ATOM 341 CD LYS A 471 4.057 7.008 -8.512 1.00 0.00 C ATOM 342 CE LYS A 471 3.185 7.218 -9.739 1.00 0.00 C ATOM 343 NZ LYS A 471 2.077 8.177 -9.476 1.00 0.00 N ATOM 0 H LYS A 471 3.678 4.719 -5.311 1.00 0.00 H new ATOM 0 HA LYS A 471 1.072 5.378 -6.108 1.00 0.00 H new ATOM 0 HB2 LYS A 471 3.502 4.469 -7.698 1.00 0.00 H new ATOM 0 HB3 LYS A 471 2.057 5.151 -8.416 1.00 0.00 H new ATOM 0 HG2 LYS A 471 2.417 7.257 -7.151 1.00 0.00 H new ATOM 0 HG3 LYS A 471 3.856 6.575 -6.420 1.00 0.00 H new ATOM 0 HD2 LYS A 471 4.575 7.936 -8.270 1.00 0.00 H new ATOM 0 HD3 LYS A 471 4.822 6.263 -8.731 1.00 0.00 H new ATOM 0 HE2 LYS A 471 3.798 7.588 -10.561 1.00 0.00 H new ATOM 0 HE3 LYS A 471 2.770 6.262 -10.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 1.710 8.540 -10.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 1.314 7.693 -8.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 2.432 8.969 -8.903 1.00 0.00 H new ATOM 357 N ASP A 472 1.938 2.241 -6.603 1.00 0.00 N ATOM 358 CA ASP A 472 1.418 0.916 -6.922 1.00 0.00 C ATOM 359 C ASP A 472 0.294 0.525 -5.969 1.00 0.00 C ATOM 360 O ASP A 472 -0.680 -0.112 -6.370 1.00 0.00 O ATOM 361 CB ASP A 472 2.539 -0.124 -6.861 1.00 0.00 C ATOM 362 CG ASP A 472 3.554 0.053 -7.973 1.00 0.00 C ATOM 363 OD1 ASP A 472 3.256 0.786 -8.940 1.00 0.00 O ATOM 364 OD2 ASP A 472 4.649 -0.541 -7.877 1.00 0.00 O ATOM 0 H ASP A 472 2.914 2.251 -6.305 1.00 0.00 H new ATOM 0 HA ASP A 472 1.015 0.948 -7.934 1.00 0.00 H new ATOM 0 HB2 ASP A 472 3.044 -0.054 -5.898 1.00 0.00 H new ATOM 0 HB3 ASP A 472 2.108 -1.123 -6.922 1.00 0.00 H new ATOM 369 N LEU A 473 0.436 0.909 -4.706 1.00 0.00 N ATOM 370 CA LEU A 473 -0.567 0.598 -3.695 1.00 0.00 C ATOM 371 C LEU A 473 -1.918 1.204 -4.061 1.00 0.00 C ATOM 372 O LEU A 473 -2.959 0.569 -3.896 1.00 0.00 O ATOM 373 CB LEU A 473 -0.119 1.112 -2.325 1.00 0.00 C ATOM 374 CG LEU A 473 1.155 0.468 -1.776 1.00 0.00 C ATOM 375 CD1 LEU A 473 1.457 0.989 -0.379 1.00 0.00 C ATOM 376 CD2 LEU A 473 1.024 -1.047 -1.765 1.00 0.00 C ATOM 0 H LEU A 473 1.236 1.437 -4.358 1.00 0.00 H new ATOM 0 HA LEU A 473 -0.676 -0.486 -3.651 1.00 0.00 H new ATOM 0 HB2 LEU A 473 0.036 2.189 -2.391 1.00 0.00 H new ATOM 0 HB3 LEU A 473 -0.927 0.949 -1.611 1.00 0.00 H new ATOM 0 HG LEU A 473 1.986 0.736 -2.429 1.00 0.00 H new ATOM 0 HD11 LEU A 473 2.367 0.520 -0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 473 1.595 2.070 -0.416 1.00 0.00 H new ATOM 0 HD13 LEU A 473 0.626 0.751 0.285 1.00 0.00 H new ATOM 0 HD21 LEU A 473 1.940 -1.489 -1.371 1.00 0.00 H new ATOM 0 HD22 LEU A 473 0.182 -1.335 -1.135 1.00 0.00 H new ATOM 0 HD23 LEU A 473 0.856 -1.405 -2.781 1.00 0.00 H new ATOM 388 N LEU A 474 -1.894 2.436 -4.559 1.00 0.00 N ATOM 389 CA LEU A 474 -3.118 3.126 -4.949 1.00 0.00 C ATOM 390 C LEU A 474 -3.770 2.441 -6.146 1.00 0.00 C ATOM 391 O LEU A 474 -4.976 2.194 -6.151 1.00 0.00 O ATOM 392 CB LEU A 474 -2.819 4.588 -5.284 1.00 0.00 C ATOM 393 CG LEU A 474 -4.043 5.504 -5.334 1.00 0.00 C ATOM 394 CD1 LEU A 474 -3.618 6.964 -5.328 1.00 0.00 C ATOM 395 CD2 LEU A 474 -4.887 5.197 -6.561 1.00 0.00 C ATOM 0 H LEU A 474 -1.041 2.977 -4.702 1.00 0.00 H new ATOM 0 HA LEU A 474 -3.811 3.088 -4.109 1.00 0.00 H new ATOM 0 HB2 LEU A 474 -2.121 4.979 -4.543 1.00 0.00 H new ATOM 0 HB3 LEU A 474 -2.315 4.628 -6.249 1.00 0.00 H new ATOM 0 HG LEU A 474 -4.648 5.320 -4.446 1.00 0.00 H new ATOM 0 HD11 LEU A 474 -4.502 7.600 -5.364 1.00 0.00 H new ATOM 0 HD12 LEU A 474 -3.055 7.175 -4.419 1.00 0.00 H new ATOM 0 HD13 LEU A 474 -2.991 7.164 -6.197 1.00 0.00 H new ATOM 0 HD21 LEU A 474 -5.754 5.858 -6.581 1.00 0.00 H new ATOM 0 HD22 LEU A 474 -4.291 5.352 -7.461 1.00 0.00 H new ATOM 0 HD23 LEU A 474 -5.222 4.160 -6.522 1.00 0.00 H new ATOM 407 N LYS A 475 -2.965 2.137 -7.158 1.00 0.00 N ATOM 408 CA LYS A 475 -3.463 1.481 -8.361 1.00 0.00 C ATOM 409 C LYS A 475 -3.959 0.073 -8.048 1.00 0.00 C ATOM 410 O LYS A 475 -4.937 -0.396 -8.631 1.00 0.00 O ATOM 411 CB LYS A 475 -2.367 1.422 -9.427 1.00 0.00 C ATOM 412 CG LYS A 475 -1.939 2.790 -9.935 1.00 0.00 C ATOM 413 CD LYS A 475 -0.931 2.673 -11.066 1.00 0.00 C ATOM 414 CE LYS A 475 -0.416 4.037 -11.496 1.00 0.00 C ATOM 415 NZ LYS A 475 -0.037 4.881 -10.329 1.00 0.00 N ATOM 0 H LYS A 475 -1.964 2.335 -7.169 1.00 0.00 H new ATOM 0 HA LYS A 475 -4.300 2.066 -8.742 1.00 0.00 H new ATOM 0 HB2 LYS A 475 -1.498 0.908 -9.015 1.00 0.00 H new ATOM 0 HB3 LYS A 475 -2.721 0.826 -10.268 1.00 0.00 H new ATOM 0 HG2 LYS A 475 -2.814 3.341 -10.281 1.00 0.00 H new ATOM 0 HG3 LYS A 475 -1.504 3.364 -9.116 1.00 0.00 H new ATOM 0 HD2 LYS A 475 -0.095 2.051 -10.747 1.00 0.00 H new ATOM 0 HD3 LYS A 475 -1.394 2.173 -11.917 1.00 0.00 H new ATOM 0 HE2 LYS A 475 0.448 3.910 -12.148 1.00 0.00 H new ATOM 0 HE3 LYS A 475 -1.183 4.547 -12.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 0.565 5.667 -10.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 -0.896 5.262 -9.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 0.485 4.305 -9.639 1.00 0.00 H new ATOM 429 N LYS A 476 -3.277 -0.598 -7.125 1.00 0.00 N ATOM 430 CA LYS A 476 -3.648 -1.954 -6.735 1.00 0.00 C ATOM 431 C LYS A 476 -5.073 -1.995 -6.192 1.00 0.00 C ATOM 432 O LYS A 476 -5.835 -2.914 -6.490 1.00 0.00 O ATOM 433 CB LYS A 476 -2.673 -2.489 -5.684 1.00 0.00 C ATOM 434 CG LYS A 476 -2.879 -3.958 -5.357 1.00 0.00 C ATOM 435 CD LYS A 476 -2.385 -4.854 -6.481 1.00 0.00 C ATOM 436 CE LYS A 476 -2.529 -6.325 -6.126 1.00 0.00 C ATOM 437 NZ LYS A 476 -2.608 -7.184 -7.339 1.00 0.00 N ATOM 0 H LYS A 476 -2.465 -0.225 -6.633 1.00 0.00 H new ATOM 0 HA LYS A 476 -3.599 -2.586 -7.622 1.00 0.00 H new ATOM 0 HB2 LYS A 476 -1.653 -2.344 -6.039 1.00 0.00 H new ATOM 0 HB3 LYS A 476 -2.779 -1.904 -4.771 1.00 0.00 H new ATOM 0 HG2 LYS A 476 -2.351 -4.204 -4.436 1.00 0.00 H new ATOM 0 HG3 LYS A 476 -3.938 -4.147 -5.178 1.00 0.00 H new ATOM 0 HD2 LYS A 476 -2.947 -4.642 -7.391 1.00 0.00 H new ATOM 0 HD3 LYS A 476 -1.339 -4.631 -6.693 1.00 0.00 H new ATOM 0 HE2 LYS A 476 -1.681 -6.636 -5.516 1.00 0.00 H new ATOM 0 HE3 LYS A 476 -3.425 -6.467 -5.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 -2.706 -8.179 -7.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 -3.432 -6.905 -7.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 -1.742 -7.069 -7.903 1.00 0.00 H new ATOM 451 N PHE A 477 -5.426 -0.993 -5.393 1.00 0.00 N ATOM 452 CA PHE A 477 -6.760 -0.915 -4.809 1.00 0.00 C ATOM 453 C PHE A 477 -7.616 0.118 -5.536 1.00 0.00 C ATOM 454 O PHE A 477 -8.547 0.681 -4.960 1.00 0.00 O ATOM 455 CB PHE A 477 -6.669 -0.564 -3.323 1.00 0.00 C ATOM 456 CG PHE A 477 -6.025 -1.637 -2.491 1.00 0.00 C ATOM 457 CD1 PHE A 477 -6.753 -2.741 -2.077 1.00 0.00 C ATOM 458 CD2 PHE A 477 -4.692 -1.541 -2.124 1.00 0.00 C ATOM 459 CE1 PHE A 477 -6.163 -3.730 -1.312 1.00 0.00 C ATOM 460 CE2 PHE A 477 -4.097 -2.526 -1.359 1.00 0.00 C ATOM 461 CZ PHE A 477 -4.833 -3.622 -0.953 1.00 0.00 C ATOM 0 H PHE A 477 -4.807 -0.224 -5.135 1.00 0.00 H new ATOM 0 HA PHE A 477 -7.233 -1.891 -4.917 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -6.103 0.361 -3.210 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -7.672 -0.372 -2.941 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -7.793 -2.830 -2.355 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -4.112 -0.687 -2.440 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -6.741 -4.586 -0.995 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -3.058 -2.439 -1.079 1.00 0.00 H new ATOM 0 HZ PHE A 477 -4.370 -4.393 -0.356 1.00 0.00 H new ATOM 471 N GLN A 478 -7.296 0.363 -6.803 1.00 0.00 N ATOM 472 CA GLN A 478 -8.038 1.328 -7.605 1.00 0.00 C ATOM 473 C GLN A 478 -9.510 0.939 -7.704 1.00 0.00 C ATOM 474 O GLN A 478 -10.392 1.797 -7.690 1.00 0.00 O ATOM 475 CB GLN A 478 -7.432 1.432 -9.006 1.00 0.00 C ATOM 476 CG GLN A 478 -8.018 2.559 -9.841 1.00 0.00 C ATOM 477 CD GLN A 478 -7.376 2.665 -11.210 1.00 0.00 C ATOM 478 OE1 GLN A 478 -6.385 1.993 -11.497 1.00 0.00 O ATOM 479 NE2 GLN A 478 -7.940 3.511 -12.064 1.00 0.00 N ATOM 0 H GLN A 478 -6.528 -0.093 -7.296 1.00 0.00 H new ATOM 0 HA GLN A 478 -7.970 2.298 -7.113 1.00 0.00 H new ATOM 0 HB2 GLN A 478 -6.356 1.579 -8.917 1.00 0.00 H new ATOM 0 HB3 GLN A 478 -7.583 0.488 -9.529 1.00 0.00 H new ATOM 0 HG2 GLN A 478 -9.090 2.400 -9.958 1.00 0.00 H new ATOM 0 HG3 GLN A 478 -7.892 3.503 -9.311 1.00 0.00 H new ATOM 0 HE21 GLN A 478 -8.761 4.048 -11.783 1.00 0.00 H new ATOM 0 HE22 GLN A 478 -7.553 3.624 -13.001 1.00 0.00 H new ATOM 488 N THR A 479 -9.767 -0.361 -7.803 1.00 0.00 N ATOM 489 CA THR A 479 -11.132 -0.865 -7.903 1.00 0.00 C ATOM 490 C THR A 479 -11.231 -2.286 -7.358 1.00 0.00 C ATOM 491 O THR A 479 -11.122 -3.257 -8.106 1.00 0.00 O ATOM 492 CB THR A 479 -11.604 -0.831 -9.358 1.00 0.00 C ATOM 493 OG1 THR A 479 -12.859 -1.473 -9.492 1.00 0.00 O ATOM 494 CG2 THR A 479 -10.641 -1.499 -10.315 1.00 0.00 C ATOM 0 H THR A 479 -9.048 -1.085 -7.816 1.00 0.00 H new ATOM 0 HA THR A 479 -11.775 -0.221 -7.303 1.00 0.00 H new ATOM 0 HB THR A 479 -11.672 0.226 -9.616 1.00 0.00 H new ATOM 0 HG1 THR A 479 -13.145 -1.440 -10.429 1.00 0.00 H new ATOM 0 HG21 THR A 479 -11.036 -1.440 -11.329 1.00 0.00 H new ATOM 0 HG22 THR A 479 -9.676 -0.994 -10.271 1.00 0.00 H new ATOM 0 HG23 THR A 479 -10.517 -2.545 -10.035 1.00 0.00 H new ATOM 502 N LYS A 480 -11.438 -2.399 -6.050 1.00 0.00 N ATOM 503 CA LYS A 480 -11.552 -3.701 -5.404 1.00 0.00 C ATOM 504 C LYS A 480 -12.632 -3.681 -4.326 1.00 0.00 C ATOM 505 O LYS A 480 -12.338 -3.782 -3.135 1.00 0.00 O ATOM 506 CB LYS A 480 -10.210 -4.111 -4.794 1.00 0.00 C ATOM 507 CG LYS A 480 -9.122 -4.356 -5.827 1.00 0.00 C ATOM 508 CD LYS A 480 -7.807 -4.743 -5.169 1.00 0.00 C ATOM 509 CE LYS A 480 -7.878 -6.133 -4.558 1.00 0.00 C ATOM 510 NZ LYS A 480 -7.933 -7.196 -5.600 1.00 0.00 N ATOM 0 H LYS A 480 -11.530 -1.605 -5.417 1.00 0.00 H new ATOM 0 HA LYS A 480 -11.835 -4.432 -6.162 1.00 0.00 H new ATOM 0 HB2 LYS A 480 -9.879 -3.332 -4.108 1.00 0.00 H new ATOM 0 HB3 LYS A 480 -10.350 -5.017 -4.204 1.00 0.00 H new ATOM 0 HG2 LYS A 480 -9.436 -5.147 -6.508 1.00 0.00 H new ATOM 0 HG3 LYS A 480 -8.979 -3.457 -6.427 1.00 0.00 H new ATOM 0 HD2 LYS A 480 -7.006 -4.709 -5.907 1.00 0.00 H new ATOM 0 HD3 LYS A 480 -7.558 -4.017 -4.395 1.00 0.00 H new ATOM 0 HE2 LYS A 480 -7.009 -6.294 -3.921 1.00 0.00 H new ATOM 0 HE3 LYS A 480 -8.759 -6.204 -3.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 480 -7.759 -8.122 -5.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 480 -8.872 -7.195 -6.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 480 -7.206 -7.013 -6.321 1.00 0.00 H new ATOM 524 N LYS A 481 -13.884 -3.547 -4.753 1.00 0.00 N ATOM 525 CA LYS A 481 -15.008 -3.512 -3.825 1.00 0.00 C ATOM 526 C LYS A 481 -14.882 -2.336 -2.862 1.00 0.00 C ATOM 527 O LYS A 481 -15.261 -2.433 -1.695 1.00 0.00 O ATOM 528 CB LYS A 481 -15.090 -4.823 -3.040 1.00 0.00 C ATOM 529 CG LYS A 481 -15.158 -6.058 -3.924 1.00 0.00 C ATOM 530 CD LYS A 481 -16.423 -6.070 -4.766 1.00 0.00 C ATOM 531 CE LYS A 481 -16.582 -7.385 -5.512 1.00 0.00 C ATOM 532 NZ LYS A 481 -17.378 -8.373 -4.733 1.00 0.00 N ATOM 0 H LYS A 481 -14.145 -3.461 -5.735 1.00 0.00 H new ATOM 0 HA LYS A 481 -15.922 -3.387 -4.405 1.00 0.00 H new ATOM 0 HB2 LYS A 481 -14.221 -4.901 -2.387 1.00 0.00 H new ATOM 0 HB3 LYS A 481 -15.970 -4.798 -2.397 1.00 0.00 H new ATOM 0 HG2 LYS A 481 -14.285 -6.089 -4.576 1.00 0.00 H new ATOM 0 HG3 LYS A 481 -15.124 -6.953 -3.303 1.00 0.00 H new ATOM 0 HD2 LYS A 481 -17.290 -5.907 -4.125 1.00 0.00 H new ATOM 0 HD3 LYS A 481 -16.394 -5.247 -5.480 1.00 0.00 H new ATOM 0 HE2 LYS A 481 -17.068 -7.202 -6.470 1.00 0.00 H new ATOM 0 HE3 LYS A 481 -15.598 -7.801 -5.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 -17.463 -9.256 -5.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 -16.902 -8.567 -3.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 -18.326 -7.987 -4.549 1.00 0.00 H new ATOM 546 N THR A 482 -14.346 -1.226 -3.359 1.00 0.00 N ATOM 547 CA THR A 482 -14.170 -0.030 -2.543 1.00 0.00 C ATOM 548 C THR A 482 -15.087 1.093 -3.017 1.00 0.00 C ATOM 549 O THR A 482 -16.024 1.479 -2.319 1.00 0.00 O ATOM 550 CB THR A 482 -12.713 0.432 -2.588 1.00 0.00 C ATOM 551 OG1 THR A 482 -12.354 0.832 -3.898 1.00 0.00 O ATOM 552 CG2 THR A 482 -11.733 -0.634 -2.148 1.00 0.00 C ATOM 0 H THR A 482 -14.026 -1.130 -4.323 1.00 0.00 H new ATOM 0 HA THR A 482 -14.434 -0.279 -1.515 1.00 0.00 H new ATOM 0 HB THR A 482 -12.653 1.267 -1.890 1.00 0.00 H new ATOM 0 HG1 THR A 482 -11.419 1.126 -3.906 1.00 0.00 H new ATOM 0 HG21 THR A 482 -10.718 -0.241 -2.204 1.00 0.00 H new ATOM 0 HG22 THR A 482 -11.952 -0.928 -1.122 1.00 0.00 H new ATOM 0 HG23 THR A 482 -11.822 -1.502 -2.801 1.00 0.00 H new ATOM 560 N GLY A 483 -14.810 1.612 -4.208 1.00 0.00 N ATOM 561 CA GLY A 483 -15.619 2.686 -4.755 1.00 0.00 C ATOM 562 C GLY A 483 -15.271 4.036 -4.160 1.00 0.00 C ATOM 563 O GLY A 483 -16.112 4.934 -4.109 1.00 0.00 O ATOM 0 H GLY A 483 -14.040 1.309 -4.804 1.00 0.00 H new ATOM 0 HA2 GLY A 483 -15.484 2.723 -5.836 1.00 0.00 H new ATOM 0 HA3 GLY A 483 -16.672 2.473 -4.572 1.00 0.00 H new ATOM 567 N LEU A 484 -14.030 4.180 -3.708 1.00 0.00 N ATOM 568 CA LEU A 484 -13.573 5.431 -3.112 1.00 0.00 C ATOM 569 C LEU A 484 -12.742 6.236 -4.106 1.00 0.00 C ATOM 570 O LEU A 484 -11.932 5.679 -4.848 1.00 0.00 O ATOM 571 CB LEU A 484 -12.751 5.151 -1.852 1.00 0.00 C ATOM 572 CG LEU A 484 -13.563 4.715 -0.631 1.00 0.00 C ATOM 573 CD1 LEU A 484 -14.400 5.871 -0.107 1.00 0.00 C ATOM 574 CD2 LEU A 484 -14.448 3.526 -0.975 1.00 0.00 C ATOM 0 H LEU A 484 -13.322 3.446 -3.743 1.00 0.00 H new ATOM 0 HA LEU A 484 -14.452 6.017 -2.841 1.00 0.00 H new ATOM 0 HB2 LEU A 484 -12.020 4.375 -2.079 1.00 0.00 H new ATOM 0 HB3 LEU A 484 -12.192 6.050 -1.595 1.00 0.00 H new ATOM 0 HG LEU A 484 -12.869 4.411 0.153 1.00 0.00 H new ATOM 0 HD11 LEU A 484 -14.971 5.542 0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 484 -13.745 6.694 0.179 1.00 0.00 H new ATOM 0 HD13 LEU A 484 -15.085 6.207 -0.886 1.00 0.00 H new ATOM 0 HD21 LEU A 484 -15.018 3.230 -0.094 1.00 0.00 H new ATOM 0 HD22 LEU A 484 -15.134 3.803 -1.775 1.00 0.00 H new ATOM 0 HD23 LEU A 484 -13.827 2.692 -1.302 1.00 0.00 H new ATOM 586 N SER A 485 -12.948 7.549 -4.114 1.00 0.00 N ATOM 587 CA SER A 485 -12.217 8.431 -5.016 1.00 0.00 C ATOM 588 C SER A 485 -10.724 8.412 -4.703 1.00 0.00 C ATOM 589 O SER A 485 -10.313 7.993 -3.621 1.00 0.00 O ATOM 590 CB SER A 485 -12.753 9.860 -4.912 1.00 0.00 C ATOM 591 OG SER A 485 -14.135 9.910 -5.222 1.00 0.00 O ATOM 0 H SER A 485 -13.615 8.025 -3.506 1.00 0.00 H new ATOM 0 HA SER A 485 -12.362 8.069 -6.034 1.00 0.00 H new ATOM 0 HB2 SER A 485 -12.589 10.241 -3.904 1.00 0.00 H new ATOM 0 HB3 SER A 485 -12.201 10.509 -5.592 1.00 0.00 H new ATOM 0 HG SER A 485 -14.454 10.834 -5.147 1.00 0.00 H new ATOM 597 N SER A 486 -9.918 8.867 -5.657 1.00 0.00 N ATOM 598 CA SER A 486 -8.470 8.902 -5.481 1.00 0.00 C ATOM 599 C SER A 486 -8.088 9.731 -4.259 1.00 0.00 C ATOM 600 O SER A 486 -7.187 9.366 -3.505 1.00 0.00 O ATOM 601 CB SER A 486 -7.798 9.474 -6.730 1.00 0.00 C ATOM 602 OG SER A 486 -6.388 9.351 -6.654 1.00 0.00 O ATOM 0 H SER A 486 -10.242 9.216 -6.559 1.00 0.00 H new ATOM 0 HA SER A 486 -8.124 7.880 -5.325 1.00 0.00 H new ATOM 0 HB2 SER A 486 -8.164 8.953 -7.614 1.00 0.00 H new ATOM 0 HB3 SER A 486 -8.069 10.524 -6.844 1.00 0.00 H new ATOM 0 HG SER A 486 -5.983 9.723 -7.465 1.00 0.00 H new ATOM 608 N GLU A 487 -8.782 10.849 -4.069 1.00 0.00 N ATOM 609 CA GLU A 487 -8.516 11.730 -2.937 1.00 0.00 C ATOM 610 C GLU A 487 -8.858 11.041 -1.620 1.00 0.00 C ATOM 611 O GLU A 487 -8.179 11.235 -0.612 1.00 0.00 O ATOM 612 CB GLU A 487 -9.320 13.024 -3.072 1.00 0.00 C ATOM 613 CG GLU A 487 -8.997 14.055 -2.002 1.00 0.00 C ATOM 614 CD GLU A 487 -9.873 15.290 -2.096 1.00 0.00 C ATOM 615 OE1 GLU A 487 -10.768 15.321 -2.967 1.00 0.00 O ATOM 616 OE2 GLU A 487 -9.664 16.227 -1.297 1.00 0.00 O ATOM 0 H GLU A 487 -9.532 11.166 -4.683 1.00 0.00 H new ATOM 0 HA GLU A 487 -7.453 11.969 -2.936 1.00 0.00 H new ATOM 0 HB2 GLU A 487 -9.130 13.459 -4.053 1.00 0.00 H new ATOM 0 HB3 GLU A 487 -10.383 12.788 -3.028 1.00 0.00 H new ATOM 0 HG2 GLU A 487 -9.119 13.602 -1.018 1.00 0.00 H new ATOM 0 HG3 GLU A 487 -7.951 14.349 -2.090 1.00 0.00 H new ATOM 623 N GLN A 488 -9.916 10.237 -1.636 1.00 0.00 N ATOM 624 CA GLN A 488 -10.348 9.518 -0.443 1.00 0.00 C ATOM 625 C GLN A 488 -9.454 8.310 -0.177 1.00 0.00 C ATOM 626 O GLN A 488 -9.080 8.042 0.965 1.00 0.00 O ATOM 627 CB GLN A 488 -11.802 9.067 -0.593 1.00 0.00 C ATOM 628 CG GLN A 488 -12.775 10.214 -0.814 1.00 0.00 C ATOM 629 CD GLN A 488 -12.755 11.222 0.318 1.00 0.00 C ATOM 630 OE1 GLN A 488 -12.700 10.854 1.491 1.00 0.00 O ATOM 631 NE2 GLN A 488 -12.800 12.503 -0.030 1.00 0.00 N ATOM 0 H GLN A 488 -10.490 10.067 -2.462 1.00 0.00 H new ATOM 0 HA GLN A 488 -10.270 10.197 0.406 1.00 0.00 H new ATOM 0 HB2 GLN A 488 -11.874 8.374 -1.431 1.00 0.00 H new ATOM 0 HB3 GLN A 488 -12.097 8.518 0.301 1.00 0.00 H new ATOM 0 HG2 GLN A 488 -12.530 10.718 -1.749 1.00 0.00 H new ATOM 0 HG3 GLN A 488 -13.783 9.814 -0.922 1.00 0.00 H new ATOM 0 HE21 GLN A 488 -12.845 12.763 -1.015 1.00 0.00 H new ATOM 0 HE22 GLN A 488 -12.790 13.227 0.688 1.00 0.00 H new ATOM 640 N THR A 489 -9.120 7.583 -1.238 1.00 0.00 N ATOM 641 CA THR A 489 -8.274 6.400 -1.121 1.00 0.00 C ATOM 642 C THR A 489 -6.894 6.761 -0.579 1.00 0.00 C ATOM 643 O THR A 489 -6.407 6.140 0.366 1.00 0.00 O ATOM 644 CB THR A 489 -8.136 5.711 -2.479 1.00 0.00 C ATOM 645 OG1 THR A 489 -9.410 5.417 -3.024 1.00 0.00 O ATOM 646 CG2 THR A 489 -7.353 4.417 -2.417 1.00 0.00 C ATOM 0 H THR A 489 -9.422 7.792 -2.189 1.00 0.00 H new ATOM 0 HA THR A 489 -8.749 5.716 -0.418 1.00 0.00 H new ATOM 0 HB THR A 489 -7.591 6.416 -3.107 1.00 0.00 H new ATOM 0 HG1 THR A 489 -9.835 6.246 -3.327 1.00 0.00 H new ATOM 0 HG21 THR A 489 -7.293 3.980 -3.414 1.00 0.00 H new ATOM 0 HG22 THR A 489 -6.347 4.618 -2.047 1.00 0.00 H new ATOM 0 HG23 THR A 489 -7.854 3.720 -1.745 1.00 0.00 H new ATOM 654 N VAL A 490 -6.268 7.766 -1.183 1.00 0.00 N ATOM 655 CA VAL A 490 -4.948 8.207 -0.766 1.00 0.00 C ATOM 656 C VAL A 490 -4.935 8.613 0.704 1.00 0.00 C ATOM 657 O VAL A 490 -4.013 8.271 1.444 1.00 0.00 O ATOM 658 CB VAL A 490 -4.468 9.392 -1.619 1.00 0.00 C ATOM 659 CG1 VAL A 490 -4.128 8.935 -3.029 1.00 0.00 C ATOM 660 CG2 VAL A 490 -5.516 10.496 -1.646 1.00 0.00 C ATOM 0 H VAL A 490 -6.658 8.290 -1.966 1.00 0.00 H new ATOM 0 HA VAL A 490 -4.272 7.363 -0.906 1.00 0.00 H new ATOM 0 HB VAL A 490 -3.563 9.795 -1.165 1.00 0.00 H new ATOM 0 HG11 VAL A 490 -3.790 9.789 -3.617 1.00 0.00 H new ATOM 0 HG12 VAL A 490 -3.336 8.187 -2.988 1.00 0.00 H new ATOM 0 HG13 VAL A 490 -5.013 8.502 -3.494 1.00 0.00 H new ATOM 0 HG21 VAL A 490 -5.156 11.325 -2.255 1.00 0.00 H new ATOM 0 HG22 VAL A 490 -6.442 10.109 -2.071 1.00 0.00 H new ATOM 0 HG23 VAL A 490 -5.702 10.846 -0.631 1.00 0.00 H new ATOM 670 N ASN A 491 -5.963 9.345 1.120 1.00 0.00 N ATOM 671 CA ASN A 491 -6.069 9.798 2.503 1.00 0.00 C ATOM 672 C ASN A 491 -6.024 8.619 3.470 1.00 0.00 C ATOM 673 O ASN A 491 -5.340 8.669 4.493 1.00 0.00 O ATOM 674 CB ASN A 491 -7.364 10.588 2.705 1.00 0.00 C ATOM 675 CG ASN A 491 -7.374 11.890 1.927 1.00 0.00 C ATOM 676 OD1 ASN A 491 -6.329 12.376 1.495 1.00 0.00 O ATOM 677 ND2 ASN A 491 -8.559 12.462 1.747 1.00 0.00 N ATOM 0 H ASN A 491 -6.734 9.637 0.520 1.00 0.00 H new ATOM 0 HA ASN A 491 -5.218 10.447 2.711 1.00 0.00 H new ATOM 0 HB2 ASN A 491 -8.212 9.976 2.396 1.00 0.00 H new ATOM 0 HB3 ASN A 491 -7.495 10.801 3.766 1.00 0.00 H new ATOM 0 HD21 ASN A 491 -8.629 13.340 1.233 1.00 0.00 H new ATOM 0 HD22 ASN A 491 -9.400 12.023 2.123 1.00 0.00 H new ATOM 684 N VAL A 492 -6.754 7.559 3.140 1.00 0.00 N ATOM 685 CA VAL A 492 -6.794 6.368 3.979 1.00 0.00 C ATOM 686 C VAL A 492 -5.512 5.555 3.836 1.00 0.00 C ATOM 687 O VAL A 492 -4.944 5.093 4.825 1.00 0.00 O ATOM 688 CB VAL A 492 -7.999 5.474 3.629 1.00 0.00 C ATOM 689 CG1 VAL A 492 -8.107 4.311 4.605 1.00 0.00 C ATOM 690 CG2 VAL A 492 -9.283 6.290 3.616 1.00 0.00 C ATOM 0 H VAL A 492 -7.326 7.501 2.297 1.00 0.00 H new ATOM 0 HA VAL A 492 -6.893 6.709 5.010 1.00 0.00 H new ATOM 0 HB VAL A 492 -7.845 5.065 2.631 1.00 0.00 H new ATOM 0 HG11 VAL A 492 -8.964 3.692 4.340 1.00 0.00 H new ATOM 0 HG12 VAL A 492 -7.198 3.711 4.558 1.00 0.00 H new ATOM 0 HG13 VAL A 492 -8.236 4.696 5.617 1.00 0.00 H new ATOM 0 HG21 VAL A 492 -10.123 5.642 3.367 1.00 0.00 H new ATOM 0 HG22 VAL A 492 -9.444 6.731 4.600 1.00 0.00 H new ATOM 0 HG23 VAL A 492 -9.203 7.083 2.872 1.00 0.00 H new ATOM 700 N LEU A 493 -5.062 5.384 2.597 1.00 0.00 N ATOM 701 CA LEU A 493 -3.847 4.627 2.321 1.00 0.00 C ATOM 702 C LEU A 493 -2.627 5.317 2.925 1.00 0.00 C ATOM 703 O LEU A 493 -1.675 4.661 3.346 1.00 0.00 O ATOM 704 CB LEU A 493 -3.658 4.460 0.812 1.00 0.00 C ATOM 705 CG LEU A 493 -2.924 3.187 0.385 1.00 0.00 C ATOM 706 CD1 LEU A 493 -1.601 3.059 1.124 1.00 0.00 C ATOM 707 CD2 LEU A 493 -3.795 1.964 0.632 1.00 0.00 C ATOM 0 H LEU A 493 -5.521 5.760 1.768 1.00 0.00 H new ATOM 0 HA LEU A 493 -3.949 3.643 2.779 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -4.638 4.472 0.336 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -3.108 5.322 0.433 1.00 0.00 H new ATOM 0 HG LEU A 493 -2.714 3.251 -0.683 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -1.094 2.148 0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -0.973 3.921 0.898 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -1.786 3.016 2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -3.259 1.067 0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -4.035 1.896 1.693 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -4.717 2.052 0.057 1.00 0.00 H new ATOM 719 N ALA A 494 -2.663 6.644 2.963 1.00 0.00 N ATOM 720 CA ALA A 494 -1.560 7.421 3.515 1.00 0.00 C ATOM 721 C ALA A 494 -1.464 7.246 5.026 1.00 0.00 C ATOM 722 O ALA A 494 -0.372 7.251 5.594 1.00 0.00 O ATOM 723 CB ALA A 494 -1.723 8.892 3.161 1.00 0.00 C ATOM 0 H ALA A 494 -3.443 7.204 2.619 1.00 0.00 H new ATOM 0 HA ALA A 494 -0.633 7.052 3.075 1.00 0.00 H new ATOM 0 HB1 ALA A 494 -0.893 9.461 3.579 1.00 0.00 H new ATOM 0 HB2 ALA A 494 -1.732 9.007 2.077 1.00 0.00 H new ATOM 0 HB3 ALA A 494 -2.661 9.264 3.573 1.00 0.00 H new ATOM 729 N GLN A 495 -2.615 7.095 5.674 1.00 0.00 N ATOM 730 CA GLN A 495 -2.662 6.922 7.122 1.00 0.00 C ATOM 731 C GLN A 495 -2.385 5.474 7.514 1.00 0.00 C ATOM 732 O GLN A 495 -1.655 5.208 8.469 1.00 0.00 O ATOM 733 CB GLN A 495 -4.025 7.356 7.663 1.00 0.00 C ATOM 734 CG GLN A 495 -4.299 8.842 7.501 1.00 0.00 C ATOM 735 CD GLN A 495 -5.619 9.262 8.117 1.00 0.00 C ATOM 736 OE1 GLN A 495 -5.725 9.429 9.332 1.00 0.00 O ATOM 737 NE2 GLN A 495 -6.635 9.435 7.279 1.00 0.00 N ATOM 0 H GLN A 495 -3.528 7.089 5.219 1.00 0.00 H new ATOM 0 HA GLN A 495 -1.885 7.549 7.560 1.00 0.00 H new ATOM 0 HB2 GLN A 495 -4.806 6.793 7.151 1.00 0.00 H new ATOM 0 HB3 GLN A 495 -4.086 7.097 8.720 1.00 0.00 H new ATOM 0 HG2 GLN A 495 -3.490 9.409 7.962 1.00 0.00 H new ATOM 0 HG3 GLN A 495 -4.301 9.094 6.441 1.00 0.00 H new ATOM 0 HE21 GLN A 495 -6.502 9.286 6.279 1.00 0.00 H new ATOM 0 HE22 GLN A 495 -7.548 9.717 7.636 1.00 0.00 H new ATOM 746 N ILE A 496 -2.975 4.540 6.774 1.00 0.00 N ATOM 747 CA ILE A 496 -2.794 3.119 7.050 1.00 0.00 C ATOM 748 C ILE A 496 -1.318 2.733 7.001 1.00 0.00 C ATOM 749 O ILE A 496 -0.829 1.989 7.851 1.00 0.00 O ATOM 750 CB ILE A 496 -3.600 2.250 6.053 1.00 0.00 C ATOM 751 CG1 ILE A 496 -4.064 0.959 6.728 1.00 0.00 C ATOM 752 CG2 ILE A 496 -2.792 1.937 4.798 1.00 0.00 C ATOM 753 CD1 ILE A 496 -5.249 0.312 6.045 1.00 0.00 C ATOM 0 H ILE A 496 -3.582 4.742 5.979 1.00 0.00 H new ATOM 0 HA ILE A 496 -3.169 2.933 8.056 1.00 0.00 H new ATOM 0 HB ILE A 496 -4.475 2.823 5.746 1.00 0.00 H new ATOM 0 HG12 ILE A 496 -3.235 0.251 6.748 1.00 0.00 H new ATOM 0 HG13 ILE A 496 -4.325 1.174 7.764 1.00 0.00 H new ATOM 0 HG21 ILE A 496 -3.391 1.326 4.123 1.00 0.00 H new ATOM 0 HG22 ILE A 496 -2.519 2.867 4.300 1.00 0.00 H new ATOM 0 HG23 ILE A 496 -1.888 1.394 5.073 1.00 0.00 H new ATOM 0 HD11 ILE A 496 -5.523 -0.599 6.578 1.00 0.00 H new ATOM 0 HD12 ILE A 496 -6.092 1.002 6.048 1.00 0.00 H new ATOM 0 HD13 ILE A 496 -4.986 0.065 5.016 1.00 0.00 H new ATOM 765 N LEU A 497 -0.621 3.247 5.997 1.00 0.00 N ATOM 766 CA LEU A 497 0.800 2.964 5.825 1.00 0.00 C ATOM 767 C LEU A 497 1.598 3.382 7.056 1.00 0.00 C ATOM 768 O LEU A 497 2.606 2.761 7.393 1.00 0.00 O ATOM 769 CB LEU A 497 1.338 3.682 4.586 1.00 0.00 C ATOM 770 CG LEU A 497 0.864 3.111 3.249 1.00 0.00 C ATOM 771 CD1 LEU A 497 1.182 4.073 2.115 1.00 0.00 C ATOM 772 CD2 LEU A 497 1.504 1.754 2.994 1.00 0.00 C ATOM 0 H LEU A 497 -1.016 3.864 5.287 1.00 0.00 H new ATOM 0 HA LEU A 497 0.914 1.888 5.693 1.00 0.00 H new ATOM 0 HB2 LEU A 497 1.048 4.731 4.639 1.00 0.00 H new ATOM 0 HB3 LEU A 497 2.427 3.651 4.611 1.00 0.00 H new ATOM 0 HG LEU A 497 -0.217 2.979 3.294 1.00 0.00 H new ATOM 0 HD11 LEU A 497 0.837 3.650 1.171 1.00 0.00 H new ATOM 0 HD12 LEU A 497 0.678 5.023 2.292 1.00 0.00 H new ATOM 0 HD13 LEU A 497 2.259 4.236 2.068 1.00 0.00 H new ATOM 0 HD21 LEU A 497 1.156 1.361 2.038 1.00 0.00 H new ATOM 0 HD22 LEU A 497 2.588 1.862 2.969 1.00 0.00 H new ATOM 0 HD23 LEU A 497 1.227 1.065 3.792 1.00 0.00 H new ATOM 784 N LYS A 498 1.144 4.438 7.723 1.00 0.00 N ATOM 785 CA LYS A 498 1.821 4.936 8.916 1.00 0.00 C ATOM 786 C LYS A 498 1.870 3.867 10.003 1.00 0.00 C ATOM 787 O LYS A 498 2.912 3.643 10.620 1.00 0.00 O ATOM 788 CB LYS A 498 1.116 6.185 9.447 1.00 0.00 C ATOM 789 CG LYS A 498 1.122 7.350 8.471 1.00 0.00 C ATOM 790 CD LYS A 498 0.725 8.650 9.152 1.00 0.00 C ATOM 791 CE LYS A 498 -0.678 8.571 9.735 1.00 0.00 C ATOM 792 NZ LYS A 498 -1.518 9.728 9.318 1.00 0.00 N ATOM 0 H LYS A 498 0.312 4.965 7.459 1.00 0.00 H new ATOM 0 HA LYS A 498 2.843 5.194 8.639 1.00 0.00 H new ATOM 0 HB2 LYS A 498 0.084 5.933 9.692 1.00 0.00 H new ATOM 0 HB3 LYS A 498 1.597 6.497 10.374 1.00 0.00 H new ATOM 0 HG2 LYS A 498 2.115 7.455 8.035 1.00 0.00 H new ATOM 0 HG3 LYS A 498 0.434 7.143 7.651 1.00 0.00 H new ATOM 0 HD2 LYS A 498 1.437 8.878 9.945 1.00 0.00 H new ATOM 0 HD3 LYS A 498 0.776 9.468 8.433 1.00 0.00 H new ATOM 0 HE2 LYS A 498 -1.153 7.644 9.415 1.00 0.00 H new ATOM 0 HE3 LYS A 498 -0.618 8.539 10.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 -2.481 9.611 9.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 -1.106 10.608 9.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 -1.555 9.774 8.280 1.00 0.00 H new ATOM 806 N ARG A 499 0.738 3.211 10.234 1.00 0.00 N ATOM 807 CA ARG A 499 0.653 2.166 11.248 1.00 0.00 C ATOM 808 C ARG A 499 1.548 0.984 10.892 1.00 0.00 C ATOM 809 O ARG A 499 2.280 0.471 11.738 1.00 0.00 O ATOM 810 CB ARG A 499 -0.795 1.696 11.405 1.00 0.00 C ATOM 811 CG ARG A 499 -1.730 2.771 11.934 1.00 0.00 C ATOM 812 CD ARG A 499 -3.128 2.224 12.172 1.00 0.00 C ATOM 813 NE ARG A 499 -4.080 3.282 12.506 1.00 0.00 N ATOM 814 CZ ARG A 499 -4.182 3.834 13.713 1.00 0.00 C ATOM 815 NH1 ARG A 499 -3.393 3.432 14.702 1.00 0.00 N ATOM 816 NH2 ARG A 499 -5.074 4.790 13.931 1.00 0.00 N ATOM 0 H ARG A 499 -0.133 3.384 9.733 1.00 0.00 H new ATOM 0 HA ARG A 499 0.997 2.585 12.194 1.00 0.00 H new ATOM 0 HB2 ARG A 499 -1.163 1.350 10.439 1.00 0.00 H new ATOM 0 HB3 ARG A 499 -0.819 0.841 12.080 1.00 0.00 H new ATOM 0 HG2 ARG A 499 -1.332 3.175 12.865 1.00 0.00 H new ATOM 0 HG3 ARG A 499 -1.777 3.596 11.223 1.00 0.00 H new ATOM 0 HD2 ARG A 499 -3.468 1.698 11.280 1.00 0.00 H new ATOM 0 HD3 ARG A 499 -3.099 1.494 12.981 1.00 0.00 H new ATOM 0 HE ARG A 499 -4.703 3.617 11.771 1.00 0.00 H new ATOM 0 HH11 ARG A 499 -2.705 2.697 14.539 1.00 0.00 H new ATOM 0 HH12 ARG A 499 -3.475 3.858 15.625 1.00 0.00 H new ATOM 0 HH21 ARG A 499 -5.682 5.102 13.174 1.00 0.00 H new ATOM 0 HH22 ARG A 499 -5.152 5.213 14.856 1.00 0.00 H new ATOM 830 N LEU A 500 1.484 0.556 9.636 1.00 0.00 N ATOM 831 CA LEU A 500 2.289 -0.566 9.168 1.00 0.00 C ATOM 832 C LEU A 500 3.765 -0.190 9.106 1.00 0.00 C ATOM 833 O LEU A 500 4.637 -0.996 9.430 1.00 0.00 O ATOM 834 CB LEU A 500 1.809 -1.026 7.790 1.00 0.00 C ATOM 835 CG LEU A 500 0.413 -1.649 7.764 1.00 0.00 C ATOM 836 CD1 LEU A 500 -0.067 -1.822 6.332 1.00 0.00 C ATOM 837 CD2 LEU A 500 0.413 -2.984 8.493 1.00 0.00 C ATOM 0 H LEU A 500 0.883 0.969 8.923 1.00 0.00 H new ATOM 0 HA LEU A 500 2.172 -1.385 9.878 1.00 0.00 H new ATOM 0 HB2 LEU A 500 1.821 -0.171 7.114 1.00 0.00 H new ATOM 0 HB3 LEU A 500 2.521 -1.752 7.398 1.00 0.00 H new ATOM 0 HG LEU A 500 -0.275 -0.977 8.277 1.00 0.00 H new ATOM 0 HD11 LEU A 500 -1.062 -2.267 6.333 1.00 0.00 H new ATOM 0 HD12 LEU A 500 -0.105 -0.850 5.841 1.00 0.00 H new ATOM 0 HD13 LEU A 500 0.621 -2.474 5.794 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -0.588 -3.414 8.465 1.00 0.00 H new ATOM 0 HD22 LEU A 500 1.113 -3.664 8.008 1.00 0.00 H new ATOM 0 HD23 LEU A 500 0.714 -2.832 9.530 1.00 0.00 H new ATOM 849 N ASN A 501 4.037 1.040 8.686 1.00 0.00 N ATOM 850 CA ASN A 501 5.407 1.531 8.576 1.00 0.00 C ATOM 851 C ASN A 501 6.263 0.590 7.728 1.00 0.00 C ATOM 852 O ASN A 501 7.232 0.009 8.217 1.00 0.00 O ATOM 853 CB ASN A 501 6.024 1.691 9.967 1.00 0.00 C ATOM 854 CG ASN A 501 7.018 2.834 10.030 1.00 0.00 C ATOM 855 OD1 ASN A 501 7.848 3.001 9.136 1.00 0.00 O ATOM 856 ND2 ASN A 501 6.940 3.629 11.091 1.00 0.00 N ATOM 0 H ASN A 501 3.325 1.718 8.415 1.00 0.00 H new ATOM 0 HA ASN A 501 5.379 2.503 8.083 1.00 0.00 H new ATOM 0 HB2 ASN A 501 5.231 1.862 10.696 1.00 0.00 H new ATOM 0 HB3 ASN A 501 6.522 0.764 10.249 1.00 0.00 H new ATOM 0 HD21 ASN A 501 7.584 4.414 11.188 1.00 0.00 H new ATOM 0 HD22 ASN A 501 6.237 3.454 11.809 1.00 0.00 H new ATOM 863 N PRO A 502 5.914 0.425 6.439 1.00 0.00 N ATOM 864 CA PRO A 502 6.656 -0.452 5.527 1.00 0.00 C ATOM 865 C PRO A 502 8.105 -0.011 5.353 1.00 0.00 C ATOM 866 O PRO A 502 8.391 1.180 5.227 1.00 0.00 O ATOM 867 CB PRO A 502 5.900 -0.326 4.198 1.00 0.00 C ATOM 868 CG PRO A 502 4.558 0.213 4.561 1.00 0.00 C ATOM 869 CD PRO A 502 4.775 1.075 5.771 1.00 0.00 C ATOM 0 HA PRO A 502 6.707 -1.473 5.905 1.00 0.00 H new ATOM 0 HB2 PRO A 502 6.420 0.342 3.511 1.00 0.00 H new ATOM 0 HB3 PRO A 502 5.815 -1.292 3.700 1.00 0.00 H new ATOM 0 HG2 PRO A 502 4.134 0.791 3.740 1.00 0.00 H new ATOM 0 HG3 PRO A 502 3.858 -0.594 4.777 1.00 0.00 H new ATOM 0 HD2 PRO A 502 5.002 2.105 5.497 1.00 0.00 H new ATOM 0 HD3 PRO A 502 3.893 1.102 6.411 1.00 0.00 H new ATOM 877 N GLU A 503 9.017 -0.977 5.344 1.00 0.00 N ATOM 878 CA GLU A 503 10.437 -0.685 5.181 1.00 0.00 C ATOM 879 C GLU A 503 10.709 -0.077 3.809 1.00 0.00 C ATOM 880 O GLU A 503 10.082 -0.452 2.819 1.00 0.00 O ATOM 881 CB GLU A 503 11.266 -1.958 5.363 1.00 0.00 C ATOM 882 CG GLU A 503 11.149 -2.568 6.750 1.00 0.00 C ATOM 883 CD GLU A 503 11.484 -1.580 7.850 1.00 0.00 C ATOM 884 OE1 GLU A 503 12.553 -0.940 7.768 1.00 0.00 O ATOM 885 OE2 GLU A 503 10.677 -1.448 8.795 1.00 0.00 O ATOM 0 H GLU A 503 8.799 -1.968 5.448 1.00 0.00 H new ATOM 0 HA GLU A 503 10.726 0.038 5.944 1.00 0.00 H new ATOM 0 HB2 GLU A 503 10.952 -2.695 4.624 1.00 0.00 H new ATOM 0 HB3 GLU A 503 12.313 -1.731 5.162 1.00 0.00 H new ATOM 0 HG2 GLU A 503 10.134 -2.939 6.896 1.00 0.00 H new ATOM 0 HG3 GLU A 503 11.816 -3.427 6.823 1.00 0.00 H new ATOM 892 N ARG A 504 11.646 0.864 3.758 1.00 0.00 N ATOM 893 CA ARG A 504 11.996 1.523 2.505 1.00 0.00 C ATOM 894 C ARG A 504 13.323 1.000 1.965 1.00 0.00 C ATOM 895 O ARG A 504 14.332 0.992 2.670 1.00 0.00 O ATOM 896 CB ARG A 504 12.075 3.037 2.707 1.00 0.00 C ATOM 897 CG ARG A 504 10.746 3.671 3.085 1.00 0.00 C ATOM 898 CD ARG A 504 10.862 5.182 3.197 1.00 0.00 C ATOM 899 NE ARG A 504 11.085 5.812 1.898 1.00 0.00 N ATOM 900 CZ ARG A 504 11.162 7.128 1.715 1.00 0.00 C ATOM 901 NH1 ARG A 504 11.035 7.957 2.744 1.00 0.00 N ATOM 902 NH2 ARG A 504 11.368 7.617 0.500 1.00 0.00 N ATOM 0 H ARG A 504 12.176 1.187 4.568 1.00 0.00 H new ATOM 0 HA ARG A 504 11.217 1.300 1.776 1.00 0.00 H new ATOM 0 HB2 ARG A 504 12.806 3.253 3.486 1.00 0.00 H new ATOM 0 HB3 ARG A 504 12.441 3.499 1.790 1.00 0.00 H new ATOM 0 HG2 ARG A 504 9.995 3.417 2.337 1.00 0.00 H new ATOM 0 HG3 ARG A 504 10.402 3.260 4.034 1.00 0.00 H new ATOM 0 HD2 ARG A 504 9.952 5.583 3.643 1.00 0.00 H new ATOM 0 HD3 ARG A 504 11.684 5.434 3.868 1.00 0.00 H new ATOM 0 HE ARG A 504 11.188 5.207 1.083 1.00 0.00 H new ATOM 0 HH11 ARG A 504 10.878 7.586 3.681 1.00 0.00 H new ATOM 0 HH12 ARG A 504 11.095 8.965 2.598 1.00 0.00 H new ATOM 0 HH21 ARG A 504 11.467 6.985 -0.294 1.00 0.00 H new ATOM 0 HH22 ARG A 504 11.427 8.626 0.359 1.00 0.00 H new ATOM 916 N LYS A 505 13.314 0.567 0.709 1.00 0.00 N ATOM 917 CA LYS A 505 14.516 0.044 0.070 1.00 0.00 C ATOM 918 C LYS A 505 14.704 0.654 -1.315 1.00 0.00 C ATOM 919 O LYS A 505 13.736 0.875 -2.042 1.00 0.00 O ATOM 920 CB LYS A 505 14.440 -1.480 -0.036 1.00 0.00 C ATOM 921 CG LYS A 505 14.356 -2.181 1.310 1.00 0.00 C ATOM 922 CD LYS A 505 14.410 -3.692 1.156 1.00 0.00 C ATOM 923 CE LYS A 505 14.196 -4.397 2.486 1.00 0.00 C ATOM 924 NZ LYS A 505 12.818 -4.947 2.607 1.00 0.00 N ATOM 0 H LYS A 505 12.487 0.568 0.113 1.00 0.00 H new ATOM 0 HA LYS A 505 15.373 0.316 0.686 1.00 0.00 H new ATOM 0 HB2 LYS A 505 13.569 -1.751 -0.632 1.00 0.00 H new ATOM 0 HB3 LYS A 505 15.318 -1.843 -0.571 1.00 0.00 H new ATOM 0 HG2 LYS A 505 15.177 -1.850 1.946 1.00 0.00 H new ATOM 0 HG3 LYS A 505 13.430 -1.898 1.811 1.00 0.00 H new ATOM 0 HD2 LYS A 505 13.648 -4.014 0.446 1.00 0.00 H new ATOM 0 HD3 LYS A 505 15.375 -3.982 0.741 1.00 0.00 H new ATOM 0 HE2 LYS A 505 14.920 -5.205 2.589 1.00 0.00 H new ATOM 0 HE3 LYS A 505 14.381 -3.698 3.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 505 12.799 -5.675 3.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 505 12.159 -4.182 2.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 505 12.532 -5.369 1.700 1.00 0.00 H new ATOM 938 N MET A 506 15.954 0.924 -1.673 1.00 0.00 N ATOM 939 CA MET A 506 16.267 1.509 -2.972 1.00 0.00 C ATOM 940 C MET A 506 16.654 0.430 -3.978 1.00 0.00 C ATOM 941 O MET A 506 17.739 -0.145 -3.900 1.00 0.00 O ATOM 942 CB MET A 506 17.401 2.526 -2.837 1.00 0.00 C ATOM 943 CG MET A 506 17.062 3.700 -1.933 1.00 0.00 C ATOM 944 SD MET A 506 15.573 4.572 -2.457 1.00 0.00 S ATOM 945 CE MET A 506 16.070 5.145 -4.080 1.00 0.00 C ATOM 0 H MET A 506 16.767 0.747 -1.083 1.00 0.00 H new ATOM 0 HA MET A 506 15.374 2.016 -3.337 1.00 0.00 H new ATOM 0 HB2 MET A 506 18.285 2.022 -2.447 1.00 0.00 H new ATOM 0 HB3 MET A 506 17.659 2.903 -3.827 1.00 0.00 H new ATOM 0 HG2 MET A 506 16.928 3.341 -0.913 1.00 0.00 H new ATOM 0 HG3 MET A 506 17.900 4.397 -1.919 1.00 0.00 H new ATOM 0 HE1 MET A 506 15.387 5.926 -4.415 1.00 0.00 H new ATOM 0 HE2 MET A 506 17.083 5.545 -4.030 1.00 0.00 H new ATOM 0 HE3 MET A 506 16.043 4.313 -4.784 1.00 0.00 H new ATOM 955 N ILE A 507 15.759 0.161 -4.923 1.00 0.00 N ATOM 956 CA ILE A 507 16.006 -0.848 -5.946 1.00 0.00 C ATOM 957 C ILE A 507 15.907 -0.247 -7.344 1.00 0.00 C ATOM 958 O ILE A 507 14.868 0.292 -7.726 1.00 0.00 O ATOM 959 CB ILE A 507 15.011 -2.020 -5.831 1.00 0.00 C ATOM 960 CG1 ILE A 507 14.979 -2.552 -4.398 1.00 0.00 C ATOM 961 CG2 ILE A 507 15.382 -3.129 -6.805 1.00 0.00 C ATOM 962 CD1 ILE A 507 13.920 -3.608 -4.168 1.00 0.00 C ATOM 0 H ILE A 507 14.856 0.628 -5.001 1.00 0.00 H new ATOM 0 HA ILE A 507 17.017 -1.223 -5.785 1.00 0.00 H new ATOM 0 HB ILE A 507 14.015 -1.657 -6.086 1.00 0.00 H new ATOM 0 HG12 ILE A 507 15.956 -2.969 -4.152 1.00 0.00 H new ATOM 0 HG13 ILE A 507 14.806 -1.721 -3.714 1.00 0.00 H new ATOM 0 HG21 ILE A 507 14.670 -3.949 -6.711 1.00 0.00 H new ATOM 0 HG22 ILE A 507 15.358 -2.742 -7.824 1.00 0.00 H new ATOM 0 HG23 ILE A 507 16.385 -3.492 -6.579 1.00 0.00 H new ATOM 0 HD11 ILE A 507 13.956 -3.939 -3.130 1.00 0.00 H new ATOM 0 HD12 ILE A 507 12.936 -3.190 -4.382 1.00 0.00 H new ATOM 0 HD13 ILE A 507 14.104 -4.457 -4.826 1.00 0.00 H new ATOM 974 N ASN A 508 16.995 -0.341 -8.103 1.00 0.00 N ATOM 975 CA ASN A 508 17.030 0.194 -9.460 1.00 0.00 C ATOM 976 C ASN A 508 16.705 1.685 -9.465 1.00 0.00 C ATOM 977 O ASN A 508 15.950 2.164 -10.311 1.00 0.00 O ATOM 978 CB ASN A 508 16.042 -0.560 -10.353 1.00 0.00 C ATOM 979 CG ASN A 508 16.382 -2.032 -10.476 1.00 0.00 C ATOM 980 OD1 ASN A 508 17.504 -2.449 -10.188 1.00 0.00 O ATOM 981 ND2 ASN A 508 15.411 -2.829 -10.908 1.00 0.00 N ATOM 0 H ASN A 508 17.864 -0.782 -7.801 1.00 0.00 H new ATOM 0 HA ASN A 508 18.038 0.060 -9.852 1.00 0.00 H new ATOM 0 HB2 ASN A 508 15.036 -0.455 -9.947 1.00 0.00 H new ATOM 0 HB3 ASN A 508 16.034 -0.108 -11.345 1.00 0.00 H new ATOM 0 HD21 ASN A 508 15.581 -3.829 -11.012 1.00 0.00 H new ATOM 0 HD22 ASN A 508 14.496 -2.441 -11.135 1.00 0.00 H new ATOM 988 N ASP A 509 17.280 2.414 -8.514 1.00 0.00 N ATOM 989 CA ASP A 509 17.052 3.850 -8.407 1.00 0.00 C ATOM 990 C ASP A 509 15.571 4.150 -8.197 1.00 0.00 C ATOM 991 O ASP A 509 15.048 5.140 -8.709 1.00 0.00 O ATOM 992 CB ASP A 509 17.555 4.562 -9.664 1.00 0.00 C ATOM 993 CG ASP A 509 19.058 4.445 -9.833 1.00 0.00 C ATOM 994 OD1 ASP A 509 19.743 4.112 -8.843 1.00 0.00 O ATOM 995 OD2 ASP A 509 19.549 4.685 -10.956 1.00 0.00 O ATOM 0 H ASP A 509 17.908 2.033 -7.806 1.00 0.00 H new ATOM 0 HA ASP A 509 17.606 4.218 -7.543 1.00 0.00 H new ATOM 0 HB2 ASP A 509 17.060 4.141 -10.539 1.00 0.00 H new ATOM 0 HB3 ASP A 509 17.278 5.615 -9.617 1.00 0.00 H new ATOM 1000 N LYS A 510 14.901 3.289 -7.438 1.00 0.00 N ATOM 1001 CA LYS A 510 13.481 3.460 -7.156 1.00 0.00 C ATOM 1002 C LYS A 510 13.169 3.114 -5.704 1.00 0.00 C ATOM 1003 O LYS A 510 13.841 2.280 -5.097 1.00 0.00 O ATOM 1004 CB LYS A 510 12.645 2.586 -8.092 1.00 0.00 C ATOM 1005 CG LYS A 510 12.742 2.992 -9.554 1.00 0.00 C ATOM 1006 CD LYS A 510 11.825 2.152 -10.428 1.00 0.00 C ATOM 1007 CE LYS A 510 12.002 2.484 -11.901 1.00 0.00 C ATOM 1008 NZ LYS A 510 11.876 1.276 -12.762 1.00 0.00 N ATOM 0 H LYS A 510 15.320 2.465 -7.007 1.00 0.00 H new ATOM 0 HA LYS A 510 13.226 4.506 -7.324 1.00 0.00 H new ATOM 0 HB2 LYS A 510 12.965 1.549 -7.990 1.00 0.00 H new ATOM 0 HB3 LYS A 510 11.601 2.629 -7.780 1.00 0.00 H new ATOM 0 HG2 LYS A 510 12.481 4.045 -9.658 1.00 0.00 H new ATOM 0 HG3 LYS A 510 13.771 2.883 -9.895 1.00 0.00 H new ATOM 0 HD2 LYS A 510 12.033 1.095 -10.265 1.00 0.00 H new ATOM 0 HD3 LYS A 510 10.788 2.321 -10.138 1.00 0.00 H new ATOM 0 HE2 LYS A 510 11.257 3.221 -12.199 1.00 0.00 H new ATOM 0 HE3 LYS A 510 12.980 2.939 -12.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 12.003 1.545 -13.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 12.603 0.582 -12.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 10.933 0.856 -12.634 1.00 0.00 H new ATOM 1022 N MET A 511 12.145 3.758 -5.154 1.00 0.00 N ATOM 1023 CA MET A 511 11.745 3.517 -3.773 1.00 0.00 C ATOM 1024 C MET A 511 10.654 2.454 -3.700 1.00 0.00 C ATOM 1025 O MET A 511 9.579 2.611 -4.281 1.00 0.00 O ATOM 1026 CB MET A 511 11.253 4.814 -3.128 1.00 0.00 C ATOM 1027 CG MET A 511 10.009 5.389 -3.786 1.00 0.00 C ATOM 1028 SD MET A 511 9.570 7.014 -3.139 1.00 0.00 S ATOM 1029 CE MET A 511 10.874 8.021 -3.839 1.00 0.00 C ATOM 0 H MET A 511 11.578 4.450 -5.643 1.00 0.00 H new ATOM 0 HA MET A 511 12.616 3.156 -3.227 1.00 0.00 H new ATOM 0 HB2 MET A 511 11.044 4.629 -2.074 1.00 0.00 H new ATOM 0 HB3 MET A 511 12.051 5.555 -3.169 1.00 0.00 H new ATOM 0 HG2 MET A 511 10.172 5.462 -4.861 1.00 0.00 H new ATOM 0 HG3 MET A 511 9.174 4.705 -3.636 1.00 0.00 H new ATOM 0 HE1 MET A 511 10.588 9.072 -3.791 1.00 0.00 H new ATOM 0 HE2 MET A 511 11.794 7.869 -3.274 1.00 0.00 H new ATOM 0 HE3 MET A 511 11.035 7.736 -4.879 1.00 0.00 H new ATOM 1039 N HIS A 512 10.937 1.371 -2.983 1.00 0.00 N ATOM 1040 CA HIS A 512 9.980 0.280 -2.833 1.00 0.00 C ATOM 1041 C HIS A 512 9.697 0.005 -1.360 1.00 0.00 C ATOM 1042 O HIS A 512 10.574 0.159 -0.510 1.00 0.00 O ATOM 1043 CB HIS A 512 10.508 -0.987 -3.508 1.00 0.00 C ATOM 1044 CG HIS A 512 10.559 -0.894 -5.001 1.00 0.00 C ATOM 1045 ND1 HIS A 512 11.678 -0.477 -5.692 1.00 0.00 N ATOM 1046 CD2 HIS A 512 9.621 -1.168 -5.939 1.00 0.00 C ATOM 1047 CE1 HIS A 512 11.426 -0.498 -6.989 1.00 0.00 C ATOM 1048 NE2 HIS A 512 10.185 -0.915 -7.165 1.00 0.00 N ATOM 0 H HIS A 512 11.822 1.225 -2.497 1.00 0.00 H new ATOM 0 HA HIS A 512 9.049 0.578 -3.315 1.00 0.00 H new ATOM 0 HB2 HIS A 512 11.509 -1.199 -3.131 1.00 0.00 H new ATOM 0 HB3 HIS A 512 9.876 -1.829 -3.226 1.00 0.00 H new ATOM 0 HD2 HIS A 512 8.616 -1.520 -5.756 1.00 0.00 H new ATOM 0 HE1 HIS A 512 12.117 -0.221 -7.772 1.00 0.00 H new ATOM 0 HE2 HIS A 512 9.721 -1.030 -8.066 1.00 0.00 H new ATOM 1057 N PHE A 513 8.467 -0.403 -1.065 1.00 0.00 N ATOM 1058 CA PHE A 513 8.069 -0.701 0.306 1.00 0.00 C ATOM 1059 C PHE A 513 7.912 -2.203 0.513 1.00 0.00 C ATOM 1060 O PHE A 513 7.233 -2.879 -0.261 1.00 0.00 O ATOM 1061 CB PHE A 513 6.760 0.013 0.645 1.00 0.00 C ATOM 1062 CG PHE A 513 6.864 1.511 0.601 1.00 0.00 C ATOM 1063 CD1 PHE A 513 7.308 2.221 1.705 1.00 0.00 C ATOM 1064 CD2 PHE A 513 6.520 2.209 -0.546 1.00 0.00 C ATOM 1065 CE1 PHE A 513 7.405 3.599 1.667 1.00 0.00 C ATOM 1066 CE2 PHE A 513 6.616 3.586 -0.590 1.00 0.00 C ATOM 1067 CZ PHE A 513 7.059 4.283 0.518 1.00 0.00 C ATOM 0 H PHE A 513 7.729 -0.535 -1.757 1.00 0.00 H new ATOM 0 HA PHE A 513 8.853 -0.342 0.972 1.00 0.00 H new ATOM 0 HB2 PHE A 513 5.988 -0.310 -0.053 1.00 0.00 H new ATOM 0 HB3 PHE A 513 6.437 -0.291 1.640 1.00 0.00 H new ATOM 0 HD1 PHE A 513 7.581 1.691 2.606 1.00 0.00 H new ATOM 0 HD2 PHE A 513 6.173 1.670 -1.415 1.00 0.00 H new ATOM 0 HE1 PHE A 513 7.751 4.141 2.535 1.00 0.00 H new ATOM 0 HE2 PHE A 513 6.345 4.118 -1.490 1.00 0.00 H new ATOM 0 HZ PHE A 513 7.134 5.360 0.486 1.00 0.00 H new ATOM 1077 N SER A 514 8.543 -2.721 1.562 1.00 0.00 N ATOM 1078 CA SER A 514 8.473 -4.144 1.870 1.00 0.00 C ATOM 1079 C SER A 514 8.370 -4.372 3.374 1.00 0.00 C ATOM 1080 O SER A 514 8.970 -3.645 4.165 1.00 0.00 O ATOM 1081 CB SER A 514 9.702 -4.868 1.317 1.00 0.00 C ATOM 1082 OG SER A 514 9.564 -6.273 1.438 1.00 0.00 O ATOM 0 H SER A 514 9.109 -2.176 2.213 1.00 0.00 H new ATOM 0 HA SER A 514 7.578 -4.548 1.397 1.00 0.00 H new ATOM 0 HB2 SER A 514 9.844 -4.602 0.269 1.00 0.00 H new ATOM 0 HB3 SER A 514 10.593 -4.540 1.852 1.00 0.00 H new ATOM 0 HG SER A 514 10.362 -6.712 1.076 1.00 0.00 H new ATOM 1088 N LEU A 515 7.605 -5.388 3.762 1.00 0.00 N ATOM 1089 CA LEU A 515 7.424 -5.714 5.172 1.00 0.00 C ATOM 1090 C LEU A 515 7.925 -7.122 5.474 1.00 0.00 C ATOM 1091 O LEU A 515 7.706 -8.050 4.696 1.00 0.00 O ATOM 1092 CB LEU A 515 5.950 -5.590 5.561 1.00 0.00 C ATOM 1093 CG LEU A 515 5.484 -4.170 5.885 1.00 0.00 C ATOM 1094 CD1 LEU A 515 3.978 -4.050 5.710 1.00 0.00 C ATOM 1095 CD2 LEU A 515 5.890 -3.789 7.301 1.00 0.00 C ATOM 0 H LEU A 515 7.101 -5.999 3.120 1.00 0.00 H new ATOM 0 HA LEU A 515 8.008 -5.006 5.760 1.00 0.00 H new ATOM 0 HB2 LEU A 515 5.341 -5.979 4.745 1.00 0.00 H new ATOM 0 HB3 LEU A 515 5.764 -6.224 6.428 1.00 0.00 H new ATOM 0 HG LEU A 515 5.965 -3.481 5.191 1.00 0.00 H new ATOM 0 HD11 LEU A 515 3.664 -3.033 5.945 1.00 0.00 H new ATOM 0 HD12 LEU A 515 3.712 -4.283 4.679 1.00 0.00 H new ATOM 0 HD13 LEU A 515 3.477 -4.748 6.381 1.00 0.00 H new ATOM 0 HD21 LEU A 515 5.551 -2.776 7.516 1.00 0.00 H new ATOM 0 HD22 LEU A 515 5.435 -4.482 8.009 1.00 0.00 H new ATOM 0 HD23 LEU A 515 6.975 -3.836 7.394 1.00 0.00 H new ATOM 1107 N LYS A 516 8.598 -7.274 6.610 1.00 0.00 N ATOM 1108 CA LYS A 516 9.130 -8.570 7.016 1.00 0.00 C ATOM 1109 C LYS A 516 8.639 -8.948 8.410 1.00 0.00 C ATOM 1110 O LYS A 516 9.227 -8.550 9.415 1.00 0.00 O ATOM 1111 CB LYS A 516 10.659 -8.547 6.988 1.00 0.00 C ATOM 1112 CG LYS A 516 11.262 -7.329 7.669 1.00 0.00 C ATOM 1113 CD LYS A 516 12.781 -7.352 7.607 1.00 0.00 C ATOM 1114 CE LYS A 516 13.283 -7.147 6.187 1.00 0.00 C ATOM 1115 NZ LYS A 516 13.626 -8.437 5.527 1.00 0.00 N ATOM 0 H LYS A 516 8.788 -6.516 7.266 1.00 0.00 H new ATOM 0 HA LYS A 516 8.772 -9.320 6.310 1.00 0.00 H new ATOM 0 HB2 LYS A 516 11.036 -9.448 7.472 1.00 0.00 H new ATOM 0 HB3 LYS A 516 10.996 -8.577 5.952 1.00 0.00 H new ATOM 0 HG2 LYS A 516 10.891 -6.422 7.191 1.00 0.00 H new ATOM 0 HG3 LYS A 516 10.940 -7.296 8.710 1.00 0.00 H new ATOM 0 HD2 LYS A 516 13.185 -6.572 8.253 1.00 0.00 H new ATOM 0 HD3 LYS A 516 13.148 -8.304 7.990 1.00 0.00 H new ATOM 0 HE2 LYS A 516 12.520 -6.632 5.603 1.00 0.00 H new ATOM 0 HE3 LYS A 516 14.162 -6.502 6.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 14.658 -8.511 5.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 13.277 -9.227 6.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 13.182 -8.475 4.587 1.00 0.00 H new ATOM 1129 N GLU A 517 7.558 -9.719 8.461 1.00 0.00 N ATOM 1130 CA GLU A 517 6.988 -10.153 9.732 1.00 0.00 C ATOM 1131 C GLU A 517 8.008 -10.942 10.546 1.00 0.00 C ATOM 1132 O GLU A 517 9.155 -11.088 10.074 1.00 0.00 O ATOM 1133 CB GLU A 517 5.741 -11.006 9.490 1.00 0.00 C ATOM 1134 CG GLU A 517 4.588 -10.235 8.867 1.00 0.00 C ATOM 1135 CD GLU A 517 4.094 -9.108 9.753 1.00 0.00 C ATOM 1136 OE1 GLU A 517 4.394 -9.130 10.965 1.00 0.00 O ATOM 1137 OE2 GLU A 517 3.408 -8.203 9.234 1.00 0.00 O ATOM 1138 OXT GLU A 517 7.651 -11.408 11.649 1.00 0.00 O ATOM 0 H GLU A 517 7.059 -10.056 7.638 1.00 0.00 H new ATOM 0 HA GLU A 517 6.709 -9.265 10.298 1.00 0.00 H new ATOM 0 HB2 GLU A 517 6.003 -11.841 8.840 1.00 0.00 H new ATOM 0 HB3 GLU A 517 5.412 -11.432 10.438 1.00 0.00 H new ATOM 0 HG2 GLU A 517 4.906 -9.826 7.908 1.00 0.00 H new ATOM 0 HG3 GLU A 517 3.765 -10.920 8.664 1.00 0.00 H new