USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=18 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 Set 1.1: A 469 THR OG1 : rot 100:sc= -0.497 USER MOD Set 1.2: A 470 THR OG1 : rot 180:sc= 0 USER MOD Single : A 455 THR OG1 : rot 180:sc=0.000178 USER MOD Single : A 462 TYR OH : rot 180:sc= 0 USER MOD Single : A 464 THR OG1 : rot -96:sc= -0.764 USER MOD Single : A 466 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.188) USER MOD Single : A 468 MET CE :methyl -161:sc= -2.76 (180deg=-3.87!) USER MOD Single : A 471 LYS NZ :NH3+ 153:sc= -0.241 (180deg=-0.763) USER MOD Single : A 475 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 476 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 478 GLN :FLIP amide:sc= -1.69 F(o=-3.2,f=-1.7) USER MOD Single : A 479 THR OG1 : rot 180:sc= 0 USER MOD Single : A 480 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 481 LYS NZ :NH3+ -166:sc= -0.0373 (180deg=-0.286) USER MOD Single : A 482 THR OG1 : rot -169:sc= 0.876 USER MOD Single : A 485 SER OG : rot 177:sc= -0.772 USER MOD Single : A 486 SER OG : rot 180:sc= 0 USER MOD Single : A 488 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.13) USER MOD Single : A 489 THR OG1 : rot 73:sc= 0.461 USER MOD Single : A 491 ASN : amide:sc= -0.218 X(o=-0.22,f=-0.41) USER MOD Single : A 495 GLN : amide:sc= 0.141 X(o=0.14,f=0) USER MOD Single : A 498 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 501 ASN : amide:sc= -0.76 K(o=-0.76,f=-2.8) USER MOD Single : A 505 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 506 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 508 ASN :FLIP amide:sc= -0.144 F(o=-2.6!,f=-0.14) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 511 MET CE :methyl 172:sc= 0 (180deg=-0.0748) USER MOD Single : A 512 HIS : no HD1:sc= -1.04 X(o=-1,f=-0.63) USER MOD Single : A 514 SER OG : rot 180:sc= 0 USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 45 N VAL A 454 -10.961 0.637 3.937 1.00 0.00 N ATOM 46 CA VAL A 454 -9.673 0.005 3.676 1.00 0.00 C ATOM 47 C VAL A 454 -8.971 -0.365 4.978 1.00 0.00 C ATOM 48 O VAL A 454 -8.948 0.419 5.926 1.00 0.00 O ATOM 49 CB VAL A 454 -8.753 0.924 2.852 1.00 0.00 C ATOM 50 CG1 VAL A 454 -7.489 0.186 2.438 1.00 0.00 C ATOM 51 CG2 VAL A 454 -9.488 1.462 1.634 1.00 0.00 C ATOM 0 HA VAL A 454 -9.874 -0.901 3.104 1.00 0.00 H new ATOM 0 HB VAL A 454 -8.463 1.769 3.476 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -6.852 0.853 1.857 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -6.952 -0.144 3.328 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -7.755 -0.680 1.833 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -8.822 2.110 1.064 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -9.810 0.631 1.007 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -10.359 2.032 1.957 1.00 0.00 H new ATOM 61 N THR A 455 -8.400 -1.565 5.016 1.00 0.00 N ATOM 62 CA THR A 455 -7.697 -2.038 6.204 1.00 0.00 C ATOM 63 C THR A 455 -6.196 -2.132 5.947 1.00 0.00 C ATOM 64 O THR A 455 -5.763 -2.361 4.818 1.00 0.00 O ATOM 65 CB THR A 455 -8.239 -3.402 6.632 1.00 0.00 C ATOM 66 OG1 THR A 455 -7.792 -4.419 5.753 1.00 0.00 O ATOM 67 CG2 THR A 455 -9.750 -3.461 6.672 1.00 0.00 C ATOM 0 H THR A 455 -8.410 -2.227 4.240 1.00 0.00 H new ATOM 0 HA THR A 455 -7.865 -1.319 7.006 1.00 0.00 H new ATOM 0 HB THR A 455 -7.859 -3.558 7.642 1.00 0.00 H new ATOM 0 HG1 THR A 455 -8.148 -5.284 6.045 1.00 0.00 H new ATOM 0 HG21 THR A 455 -10.067 -4.456 6.983 1.00 0.00 H new ATOM 0 HG22 THR A 455 -10.124 -2.723 7.381 1.00 0.00 H new ATOM 0 HG23 THR A 455 -10.149 -3.247 5.681 1.00 0.00 H new ATOM 75 N GLU A 456 -5.409 -1.952 7.002 1.00 0.00 N ATOM 76 CA GLU A 456 -3.956 -2.016 6.893 1.00 0.00 C ATOM 77 C GLU A 456 -3.497 -3.428 6.548 1.00 0.00 C ATOM 78 O GLU A 456 -2.522 -3.614 5.820 1.00 0.00 O ATOM 79 CB GLU A 456 -3.307 -1.560 8.201 1.00 0.00 C ATOM 80 CG GLU A 456 -1.790 -1.516 8.144 1.00 0.00 C ATOM 81 CD GLU A 456 -1.166 -1.191 9.488 1.00 0.00 C ATOM 82 OE1 GLU A 456 -1.346 -0.051 9.965 1.00 0.00 O ATOM 83 OE2 GLU A 456 -0.497 -2.076 10.061 1.00 0.00 O ATOM 0 H GLU A 456 -5.753 -1.761 7.943 1.00 0.00 H new ATOM 0 HA GLU A 456 -3.646 -1.348 6.089 1.00 0.00 H new ATOM 0 HB2 GLU A 456 -3.682 -0.569 8.456 1.00 0.00 H new ATOM 0 HB3 GLU A 456 -3.613 -2.233 9.002 1.00 0.00 H new ATOM 0 HG2 GLU A 456 -1.415 -2.479 7.796 1.00 0.00 H new ATOM 0 HG3 GLU A 456 -1.479 -0.770 7.413 1.00 0.00 H new ATOM 90 N ASP A 457 -4.203 -4.421 7.078 1.00 0.00 N ATOM 91 CA ASP A 457 -3.867 -5.818 6.827 1.00 0.00 C ATOM 92 C ASP A 457 -3.916 -6.134 5.335 1.00 0.00 C ATOM 93 O ASP A 457 -3.104 -6.909 4.829 1.00 0.00 O ATOM 94 CB ASP A 457 -4.825 -6.738 7.587 1.00 0.00 C ATOM 95 CG ASP A 457 -4.665 -6.627 9.090 1.00 0.00 C ATOM 96 OD1 ASP A 457 -3.632 -6.087 9.540 1.00 0.00 O ATOM 97 OD2 ASP A 457 -5.573 -7.080 9.818 1.00 0.00 O ATOM 0 H ASP A 457 -5.012 -4.284 7.684 1.00 0.00 H new ATOM 0 HA ASP A 457 -2.850 -5.989 7.181 1.00 0.00 H new ATOM 0 HB2 ASP A 457 -5.852 -6.493 7.315 1.00 0.00 H new ATOM 0 HB3 ASP A 457 -4.652 -7.770 7.281 1.00 0.00 H new ATOM 102 N ALA A 458 -4.872 -5.531 4.638 1.00 0.00 N ATOM 103 CA ALA A 458 -5.026 -5.750 3.205 1.00 0.00 C ATOM 104 C ALA A 458 -3.766 -5.346 2.448 1.00 0.00 C ATOM 105 O ALA A 458 -3.277 -6.086 1.595 1.00 0.00 O ATOM 106 CB ALA A 458 -6.229 -4.980 2.679 1.00 0.00 C ATOM 0 H ALA A 458 -5.552 -4.887 5.042 1.00 0.00 H new ATOM 0 HA ALA A 458 -5.190 -6.815 3.042 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -6.332 -5.153 1.608 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -7.130 -5.320 3.189 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -6.088 -3.915 2.863 1.00 0.00 H new ATOM 112 N VAL A 459 -3.245 -4.165 2.765 1.00 0.00 N ATOM 113 CA VAL A 459 -2.040 -3.661 2.113 1.00 0.00 C ATOM 114 C VAL A 459 -0.813 -4.466 2.528 1.00 0.00 C ATOM 115 O VAL A 459 0.080 -4.717 1.719 1.00 0.00 O ATOM 116 CB VAL A 459 -1.803 -2.176 2.445 1.00 0.00 C ATOM 117 CG1 VAL A 459 -0.629 -1.628 1.647 1.00 0.00 C ATOM 118 CG2 VAL A 459 -3.062 -1.363 2.182 1.00 0.00 C ATOM 0 H VAL A 459 -3.637 -3.539 3.468 1.00 0.00 H new ATOM 0 HA VAL A 459 -2.193 -3.766 1.039 1.00 0.00 H new ATOM 0 HB VAL A 459 -1.560 -2.095 3.504 1.00 0.00 H new ATOM 0 HG11 VAL A 459 -0.478 -0.578 1.896 1.00 0.00 H new ATOM 0 HG12 VAL A 459 0.272 -2.192 1.891 1.00 0.00 H new ATOM 0 HG13 VAL A 459 -0.838 -1.722 0.581 1.00 0.00 H new ATOM 0 HG21 VAL A 459 -2.876 -0.316 2.422 1.00 0.00 H new ATOM 0 HG22 VAL A 459 -3.339 -1.451 1.131 1.00 0.00 H new ATOM 0 HG23 VAL A 459 -3.874 -1.739 2.804 1.00 0.00 H new ATOM 128 N ARG A 460 -0.775 -4.866 3.796 1.00 0.00 N ATOM 129 CA ARG A 460 0.344 -5.640 4.321 1.00 0.00 C ATOM 130 C ARG A 460 0.533 -6.935 3.536 1.00 0.00 C ATOM 131 O ARG A 460 1.660 -7.357 3.279 1.00 0.00 O ATOM 132 CB ARG A 460 0.119 -5.957 5.801 1.00 0.00 C ATOM 133 CG ARG A 460 1.301 -6.649 6.461 1.00 0.00 C ATOM 134 CD ARG A 460 0.975 -7.075 7.883 1.00 0.00 C ATOM 135 NE ARG A 460 0.599 -5.939 8.722 1.00 0.00 N ATOM 136 CZ ARG A 460 0.003 -6.057 9.906 1.00 0.00 C ATOM 137 NH1 ARG A 460 -0.286 -7.256 10.395 1.00 0.00 N ATOM 138 NH2 ARG A 460 -0.305 -4.973 10.604 1.00 0.00 N ATOM 0 H ARG A 460 -1.506 -4.667 4.478 1.00 0.00 H new ATOM 0 HA ARG A 460 1.248 -5.040 4.215 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -0.093 -5.030 6.334 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -0.763 -6.590 5.899 1.00 0.00 H new ATOM 0 HG2 ARG A 460 1.586 -7.523 5.875 1.00 0.00 H new ATOM 0 HG3 ARG A 460 2.159 -5.977 6.469 1.00 0.00 H new ATOM 0 HD2 ARG A 460 0.160 -7.799 7.867 1.00 0.00 H new ATOM 0 HD3 ARG A 460 1.839 -7.577 8.318 1.00 0.00 H new ATOM 0 HE ARG A 460 0.806 -5.001 8.380 1.00 0.00 H new ATOM 0 HH11 ARG A 460 -0.051 -8.094 9.863 1.00 0.00 H new ATOM 0 HH12 ARG A 460 -0.743 -7.340 11.303 1.00 0.00 H new ATOM 0 HH21 ARG A 460 -0.085 -4.048 10.234 1.00 0.00 H new ATOM 0 HH22 ARG A 460 -0.762 -5.063 11.511 1.00 0.00 H new ATOM 152 N ARG A 461 -0.577 -7.563 3.162 1.00 0.00 N ATOM 153 CA ARG A 461 -0.532 -8.812 2.410 1.00 0.00 C ATOM 154 C ARG A 461 0.221 -8.636 1.094 1.00 0.00 C ATOM 155 O ARG A 461 0.982 -9.511 0.681 1.00 0.00 O ATOM 156 CB ARG A 461 -1.949 -9.319 2.135 1.00 0.00 C ATOM 157 CG ARG A 461 -2.668 -9.818 3.378 1.00 0.00 C ATOM 158 CD ARG A 461 -4.006 -10.450 3.031 1.00 0.00 C ATOM 159 NE ARG A 461 -4.720 -10.908 4.221 1.00 0.00 N ATOM 160 CZ ARG A 461 -5.282 -10.092 5.109 1.00 0.00 C ATOM 161 NH1 ARG A 461 -5.214 -8.776 4.947 1.00 0.00 N ATOM 162 NH2 ARG A 461 -5.913 -10.591 6.163 1.00 0.00 N ATOM 0 H ARG A 461 -1.518 -7.228 3.367 1.00 0.00 H new ATOM 0 HA ARG A 461 0.000 -9.547 3.014 1.00 0.00 H new ATOM 0 HB2 ARG A 461 -2.533 -8.516 1.686 1.00 0.00 H new ATOM 0 HB3 ARG A 461 -1.902 -10.126 1.404 1.00 0.00 H new ATOM 0 HG2 ARG A 461 -2.043 -10.547 3.893 1.00 0.00 H new ATOM 0 HG3 ARG A 461 -2.824 -8.988 4.067 1.00 0.00 H new ATOM 0 HD2 ARG A 461 -4.621 -9.727 2.495 1.00 0.00 H new ATOM 0 HD3 ARG A 461 -3.846 -11.292 2.358 1.00 0.00 H new ATOM 0 HE ARG A 461 -4.792 -11.913 4.380 1.00 0.00 H new ATOM 0 HH11 ARG A 461 -4.729 -8.386 4.139 1.00 0.00 H new ATOM 0 HH12 ARG A 461 -5.647 -8.155 5.631 1.00 0.00 H new ATOM 0 HH21 ARG A 461 -5.968 -11.601 6.294 1.00 0.00 H new ATOM 0 HH22 ARG A 461 -6.344 -9.965 6.843 1.00 0.00 H new ATOM 176 N TYR A 462 0.002 -7.501 0.438 1.00 0.00 N ATOM 177 CA TYR A 462 0.661 -7.214 -0.832 1.00 0.00 C ATOM 178 C TYR A 462 2.159 -7.001 -0.637 1.00 0.00 C ATOM 179 O TYR A 462 2.975 -7.541 -1.384 1.00 0.00 O ATOM 180 CB TYR A 462 0.040 -5.978 -1.485 1.00 0.00 C ATOM 181 CG TYR A 462 -1.381 -6.189 -1.955 1.00 0.00 C ATOM 182 CD1 TYR A 462 -1.647 -6.809 -3.170 1.00 0.00 C ATOM 183 CD2 TYR A 462 -2.458 -5.766 -1.185 1.00 0.00 C ATOM 184 CE1 TYR A 462 -2.944 -7.002 -3.604 1.00 0.00 C ATOM 185 CE2 TYR A 462 -3.758 -5.958 -1.612 1.00 0.00 C ATOM 186 CZ TYR A 462 -3.996 -6.575 -2.821 1.00 0.00 C ATOM 187 OH TYR A 462 -5.289 -6.766 -3.250 1.00 0.00 O ATOM 0 H TYR A 462 -0.626 -6.766 0.764 1.00 0.00 H new ATOM 0 HA TYR A 462 0.519 -8.074 -1.486 1.00 0.00 H new ATOM 0 HB2 TYR A 462 0.059 -5.153 -0.773 1.00 0.00 H new ATOM 0 HB3 TYR A 462 0.654 -5.680 -2.335 1.00 0.00 H new ATOM 0 HD1 TYR A 462 -0.826 -7.146 -3.785 1.00 0.00 H new ATOM 0 HD2 TYR A 462 -2.276 -5.280 -0.238 1.00 0.00 H new ATOM 0 HE1 TYR A 462 -3.133 -7.485 -4.551 1.00 0.00 H new ATOM 0 HE2 TYR A 462 -4.584 -5.626 -1.001 1.00 0.00 H new ATOM 0 HH TYR A 462 -5.911 -6.409 -2.582 1.00 0.00 H new ATOM 197 N LEU A 463 2.513 -6.208 0.368 1.00 0.00 N ATOM 198 CA LEU A 463 3.913 -5.919 0.659 1.00 0.00 C ATOM 199 C LEU A 463 4.639 -7.166 1.155 1.00 0.00 C ATOM 200 O LEU A 463 5.810 -7.379 0.843 1.00 0.00 O ATOM 201 CB LEU A 463 4.018 -4.806 1.702 1.00 0.00 C ATOM 202 CG LEU A 463 3.378 -3.478 1.296 1.00 0.00 C ATOM 203 CD1 LEU A 463 3.400 -2.497 2.457 1.00 0.00 C ATOM 204 CD2 LEU A 463 4.092 -2.892 0.087 1.00 0.00 C ATOM 0 H LEU A 463 1.850 -5.753 0.995 1.00 0.00 H new ATOM 0 HA LEU A 463 4.388 -5.590 -0.265 1.00 0.00 H new ATOM 0 HB2 LEU A 463 3.552 -5.149 2.626 1.00 0.00 H new ATOM 0 HB3 LEU A 463 5.071 -4.632 1.921 1.00 0.00 H new ATOM 0 HG LEU A 463 2.339 -3.665 1.026 1.00 0.00 H new ATOM 0 HD11 LEU A 463 2.940 -1.558 2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 463 2.844 -2.915 3.297 1.00 0.00 H new ATOM 0 HD13 LEU A 463 4.431 -2.314 2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 463 3.624 -1.947 -0.189 1.00 0.00 H new ATOM 0 HD22 LEU A 463 5.140 -2.720 0.331 1.00 0.00 H new ATOM 0 HD23 LEU A 463 4.024 -3.588 -0.749 1.00 0.00 H new ATOM 216 N THR A 464 3.937 -7.984 1.932 1.00 0.00 N ATOM 217 CA THR A 464 4.515 -9.207 2.473 1.00 0.00 C ATOM 218 C THR A 464 4.866 -10.185 1.357 1.00 0.00 C ATOM 219 O THR A 464 5.823 -10.950 1.467 1.00 0.00 O ATOM 220 CB THR A 464 3.543 -9.859 3.454 1.00 0.00 C ATOM 221 OG1 THR A 464 2.212 -9.765 2.979 1.00 0.00 O ATOM 222 CG2 THR A 464 3.582 -9.243 4.836 1.00 0.00 C ATOM 0 H THR A 464 2.967 -7.821 2.201 1.00 0.00 H new ATOM 0 HA THR A 464 5.433 -8.945 3.000 1.00 0.00 H new ATOM 0 HB THR A 464 3.863 -10.898 3.529 1.00 0.00 H new ATOM 0 HG1 THR A 464 1.773 -8.990 3.388 1.00 0.00 H new ATOM 0 HG21 THR A 464 2.868 -9.753 5.482 1.00 0.00 H new ATOM 0 HG22 THR A 464 4.584 -9.345 5.252 1.00 0.00 H new ATOM 0 HG23 THR A 464 3.322 -8.186 4.771 1.00 0.00 H new ATOM 230 N ARG A 465 4.082 -10.157 0.283 1.00 0.00 N ATOM 231 CA ARG A 465 4.313 -11.044 -0.852 1.00 0.00 C ATOM 232 C ARG A 465 5.356 -10.462 -1.797 1.00 0.00 C ATOM 233 O ARG A 465 6.293 -11.148 -2.205 1.00 0.00 O ATOM 234 CB ARG A 465 3.005 -11.293 -1.605 1.00 0.00 C ATOM 235 CG ARG A 465 1.992 -12.103 -0.813 1.00 0.00 C ATOM 236 CD ARG A 465 0.759 -12.419 -1.645 1.00 0.00 C ATOM 237 NE ARG A 465 1.038 -13.413 -2.678 1.00 0.00 N ATOM 238 CZ ARG A 465 1.290 -14.695 -2.425 1.00 0.00 C ATOM 239 NH1 ARG A 465 1.298 -15.143 -1.176 1.00 0.00 N ATOM 240 NH2 ARG A 465 1.535 -15.532 -3.424 1.00 0.00 N ATOM 0 H ARG A 465 3.284 -9.532 0.175 1.00 0.00 H new ATOM 0 HA ARG A 465 4.690 -11.992 -0.468 1.00 0.00 H new ATOM 0 HB2 ARG A 465 2.561 -10.334 -1.873 1.00 0.00 H new ATOM 0 HB3 ARG A 465 3.225 -11.814 -2.537 1.00 0.00 H new ATOM 0 HG2 ARG A 465 2.452 -13.032 -0.474 1.00 0.00 H new ATOM 0 HG3 ARG A 465 1.699 -11.549 0.079 1.00 0.00 H new ATOM 0 HD2 ARG A 465 -0.034 -12.786 -0.993 1.00 0.00 H new ATOM 0 HD3 ARG A 465 0.392 -11.505 -2.111 1.00 0.00 H new ATOM 0 HE ARG A 465 1.040 -13.107 -3.651 1.00 0.00 H new ATOM 0 HH11 ARG A 465 1.110 -14.504 -0.404 1.00 0.00 H new ATOM 0 HH12 ARG A 465 1.492 -16.127 -0.988 1.00 0.00 H new ATOM 0 HH21 ARG A 465 1.530 -15.193 -4.386 1.00 0.00 H new ATOM 0 HH22 ARG A 465 1.728 -16.515 -3.230 1.00 0.00 H new ATOM 254 N LYS A 466 5.183 -9.193 -2.143 1.00 0.00 N ATOM 255 CA LYS A 466 6.108 -8.513 -3.042 1.00 0.00 C ATOM 256 C LYS A 466 6.249 -7.038 -2.667 1.00 0.00 C ATOM 257 O LYS A 466 5.279 -6.399 -2.260 1.00 0.00 O ATOM 258 CB LYS A 466 5.630 -8.643 -4.491 1.00 0.00 C ATOM 259 CG LYS A 466 6.613 -9.371 -5.393 1.00 0.00 C ATOM 260 CD LYS A 466 6.542 -8.858 -6.822 1.00 0.00 C ATOM 261 CE LYS A 466 7.897 -8.929 -7.508 1.00 0.00 C ATOM 262 NZ LYS A 466 8.538 -10.261 -7.333 1.00 0.00 N ATOM 0 H LYS A 466 4.411 -8.613 -1.815 1.00 0.00 H new ATOM 0 HA LYS A 466 7.085 -8.986 -2.946 1.00 0.00 H new ATOM 0 HB2 LYS A 466 4.677 -9.172 -4.504 1.00 0.00 H new ATOM 0 HB3 LYS A 466 5.447 -7.647 -4.895 1.00 0.00 H new ATOM 0 HG2 LYS A 466 7.625 -9.242 -5.009 1.00 0.00 H new ATOM 0 HG3 LYS A 466 6.400 -10.440 -5.378 1.00 0.00 H new ATOM 0 HD2 LYS A 466 5.817 -9.446 -7.385 1.00 0.00 H new ATOM 0 HD3 LYS A 466 6.186 -7.828 -6.822 1.00 0.00 H new ATOM 0 HE2 LYS A 466 7.777 -8.721 -8.571 1.00 0.00 H new ATOM 0 HE3 LYS A 466 8.550 -8.156 -7.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 9.310 -10.368 -8.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 8.920 -10.338 -6.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 7.832 -11.009 -7.487 1.00 0.00 H new ATOM 276 N PRO A 467 7.464 -6.476 -2.801 1.00 0.00 N ATOM 277 CA PRO A 467 7.721 -5.071 -2.474 1.00 0.00 C ATOM 278 C PRO A 467 7.154 -4.121 -3.523 1.00 0.00 C ATOM 279 O PRO A 467 7.414 -4.272 -4.716 1.00 0.00 O ATOM 280 CB PRO A 467 9.247 -4.992 -2.451 1.00 0.00 C ATOM 281 CG PRO A 467 9.692 -6.056 -3.393 1.00 0.00 C ATOM 282 CD PRO A 467 8.678 -7.163 -3.282 1.00 0.00 C ATOM 0 HA PRO A 467 7.249 -4.774 -1.537 1.00 0.00 H new ATOM 0 HB2 PRO A 467 9.598 -4.010 -2.768 1.00 0.00 H new ATOM 0 HB3 PRO A 467 9.638 -5.162 -1.448 1.00 0.00 H new ATOM 0 HG2 PRO A 467 9.744 -5.676 -4.413 1.00 0.00 H new ATOM 0 HG3 PRO A 467 10.689 -6.413 -3.135 1.00 0.00 H new ATOM 0 HD2 PRO A 467 8.509 -7.650 -4.243 1.00 0.00 H new ATOM 0 HD3 PRO A 467 9.003 -7.936 -2.586 1.00 0.00 H new ATOM 290 N MET A 468 6.375 -3.144 -3.072 1.00 0.00 N ATOM 291 CA MET A 468 5.771 -2.172 -3.975 1.00 0.00 C ATOM 292 C MET A 468 5.819 -0.768 -3.380 1.00 0.00 C ATOM 293 O MET A 468 5.933 -0.602 -2.165 1.00 0.00 O ATOM 294 CB MET A 468 4.323 -2.559 -4.279 1.00 0.00 C ATOM 295 CG MET A 468 4.181 -3.944 -4.889 1.00 0.00 C ATOM 296 SD MET A 468 2.510 -4.276 -5.479 1.00 0.00 S ATOM 297 CE MET A 468 1.568 -4.048 -3.973 1.00 0.00 C ATOM 0 H MET A 468 6.147 -3.004 -2.088 1.00 0.00 H new ATOM 0 HA MET A 468 6.344 -2.173 -4.902 1.00 0.00 H new ATOM 0 HB2 MET A 468 3.742 -2.515 -3.358 1.00 0.00 H new ATOM 0 HB3 MET A 468 3.894 -1.825 -4.961 1.00 0.00 H new ATOM 0 HG2 MET A 468 4.881 -4.045 -5.718 1.00 0.00 H new ATOM 0 HG3 MET A 468 4.455 -4.693 -4.147 1.00 0.00 H new ATOM 0 HE1 MET A 468 0.597 -4.532 -4.075 1.00 0.00 H new ATOM 0 HE2 MET A 468 2.108 -4.490 -3.136 1.00 0.00 H new ATOM 0 HE3 MET A 468 1.425 -2.983 -3.791 1.00 0.00 H new ATOM 307 N THR A 469 5.730 0.239 -4.243 1.00 0.00 N ATOM 308 CA THR A 469 5.762 1.629 -3.802 1.00 0.00 C ATOM 309 C THR A 469 4.350 2.156 -3.568 1.00 0.00 C ATOM 310 O THR A 469 3.367 1.476 -3.862 1.00 0.00 O ATOM 311 CB THR A 469 6.480 2.496 -4.837 1.00 0.00 C ATOM 312 OG1 THR A 469 6.327 3.871 -4.531 1.00 0.00 O ATOM 313 CG2 THR A 469 5.979 2.283 -6.249 1.00 0.00 C ATOM 0 H THR A 469 5.635 0.119 -5.251 1.00 0.00 H new ATOM 0 HA THR A 469 6.308 1.675 -2.860 1.00 0.00 H new ATOM 0 HB THR A 469 7.526 2.194 -4.791 1.00 0.00 H new ATOM 0 HG1 THR A 469 7.134 4.198 -4.081 1.00 0.00 H new ATOM 0 HG21 THR A 469 6.531 2.929 -6.932 1.00 0.00 H new ATOM 0 HG22 THR A 469 6.127 1.242 -6.535 1.00 0.00 H new ATOM 0 HG23 THR A 469 4.917 2.525 -6.299 1.00 0.00 H new ATOM 321 N THR A 470 4.257 3.371 -3.037 1.00 0.00 N ATOM 322 CA THR A 470 2.964 3.989 -2.761 1.00 0.00 C ATOM 323 C THR A 470 2.111 4.063 -4.024 1.00 0.00 C ATOM 324 O THR A 470 0.916 3.767 -3.995 1.00 0.00 O ATOM 325 CB THR A 470 3.161 5.391 -2.183 1.00 0.00 C ATOM 326 OG1 THR A 470 4.037 6.151 -2.996 1.00 0.00 O ATOM 327 CG2 THR A 470 3.724 5.387 -0.778 1.00 0.00 C ATOM 0 H THR A 470 5.061 3.947 -2.789 1.00 0.00 H new ATOM 0 HA THR A 470 2.443 3.370 -2.031 1.00 0.00 H new ATOM 0 HB THR A 470 2.165 5.833 -2.156 1.00 0.00 H new ATOM 0 HG1 THR A 470 4.149 7.045 -2.610 1.00 0.00 H new ATOM 0 HG21 THR A 470 3.839 6.413 -0.429 1.00 0.00 H new ATOM 0 HG22 THR A 470 3.044 4.852 -0.115 1.00 0.00 H new ATOM 0 HG23 THR A 470 4.696 4.893 -0.777 1.00 0.00 H new ATOM 335 N LYS A 471 2.731 4.460 -5.129 1.00 0.00 N ATOM 336 CA LYS A 471 2.028 4.574 -6.402 1.00 0.00 C ATOM 337 C LYS A 471 1.433 3.232 -6.819 1.00 0.00 C ATOM 338 O LYS A 471 0.305 3.167 -7.306 1.00 0.00 O ATOM 339 CB LYS A 471 2.975 5.085 -7.488 1.00 0.00 C ATOM 340 CG LYS A 471 2.291 5.344 -8.821 1.00 0.00 C ATOM 341 CD LYS A 471 3.287 5.779 -9.883 1.00 0.00 C ATOM 342 CE LYS A 471 2.586 6.188 -11.169 1.00 0.00 C ATOM 343 NZ LYS A 471 1.422 7.078 -10.909 1.00 0.00 N ATOM 0 H LYS A 471 3.719 4.709 -5.170 1.00 0.00 H new ATOM 0 HA LYS A 471 1.214 5.287 -6.275 1.00 0.00 H new ATOM 0 HB2 LYS A 471 3.444 6.007 -7.145 1.00 0.00 H new ATOM 0 HB3 LYS A 471 3.773 4.357 -7.634 1.00 0.00 H new ATOM 0 HG2 LYS A 471 1.779 4.440 -9.150 1.00 0.00 H new ATOM 0 HG3 LYS A 471 1.530 6.115 -8.697 1.00 0.00 H new ATOM 0 HD2 LYS A 471 3.879 6.614 -9.508 1.00 0.00 H new ATOM 0 HD3 LYS A 471 3.981 4.964 -10.089 1.00 0.00 H new ATOM 0 HE2 LYS A 471 3.294 6.698 -11.822 1.00 0.00 H new ATOM 0 HE3 LYS A 471 2.250 5.296 -11.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 1.257 7.684 -11.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 0.576 6.500 -10.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 1.618 7.672 -10.079 1.00 0.00 H new ATOM 357 N ASP A 472 2.201 2.165 -6.628 1.00 0.00 N ATOM 358 CA ASP A 472 1.750 0.825 -6.986 1.00 0.00 C ATOM 359 C ASP A 472 0.528 0.422 -6.168 1.00 0.00 C ATOM 360 O ASP A 472 -0.379 -0.240 -6.673 1.00 0.00 O ATOM 361 CB ASP A 472 2.876 -0.189 -6.774 1.00 0.00 C ATOM 362 CG ASP A 472 4.025 0.012 -7.744 1.00 0.00 C ATOM 363 OD1 ASP A 472 3.831 0.716 -8.757 1.00 0.00 O ATOM 364 OD2 ASP A 472 5.118 -0.535 -7.488 1.00 0.00 O ATOM 0 H ASP A 472 3.138 2.202 -6.227 1.00 0.00 H new ATOM 0 HA ASP A 472 1.471 0.834 -8.040 1.00 0.00 H new ATOM 0 HB2 ASP A 472 3.248 -0.107 -5.753 1.00 0.00 H new ATOM 0 HB3 ASP A 472 2.479 -1.198 -6.889 1.00 0.00 H new ATOM 369 N LEU A 473 0.512 0.824 -4.903 1.00 0.00 N ATOM 370 CA LEU A 473 -0.599 0.504 -4.013 1.00 0.00 C ATOM 371 C LEU A 473 -1.900 1.120 -4.519 1.00 0.00 C ATOM 372 O LEU A 473 -2.963 0.504 -4.435 1.00 0.00 O ATOM 373 CB LEU A 473 -0.305 1.001 -2.596 1.00 0.00 C ATOM 374 CG LEU A 473 0.940 0.397 -1.942 1.00 0.00 C ATOM 375 CD1 LEU A 473 1.247 1.099 -0.628 1.00 0.00 C ATOM 376 CD2 LEU A 473 0.756 -1.097 -1.722 1.00 0.00 C ATOM 0 H LEU A 473 1.255 1.372 -4.470 1.00 0.00 H new ATOM 0 HA LEU A 473 -0.714 -0.580 -3.995 1.00 0.00 H new ATOM 0 HB2 LEU A 473 -0.192 2.085 -2.624 1.00 0.00 H new ATOM 0 HB3 LEU A 473 -1.168 0.786 -1.966 1.00 0.00 H new ATOM 0 HG LEU A 473 1.786 0.542 -2.613 1.00 0.00 H new ATOM 0 HD11 LEU A 473 2.135 0.656 -0.178 1.00 0.00 H new ATOM 0 HD12 LEU A 473 1.424 2.158 -0.814 1.00 0.00 H new ATOM 0 HD13 LEU A 473 0.402 0.987 0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 473 1.651 -1.509 -1.256 1.00 0.00 H new ATOM 0 HD22 LEU A 473 -0.102 -1.266 -1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 473 0.587 -1.588 -2.680 1.00 0.00 H new ATOM 388 N LEU A 474 -1.808 2.337 -5.045 1.00 0.00 N ATOM 389 CA LEU A 474 -2.979 3.034 -5.565 1.00 0.00 C ATOM 390 C LEU A 474 -3.624 2.244 -6.698 1.00 0.00 C ATOM 391 O LEU A 474 -4.843 2.079 -6.738 1.00 0.00 O ATOM 392 CB LEU A 474 -2.591 4.430 -6.057 1.00 0.00 C ATOM 393 CG LEU A 474 -2.641 5.530 -4.995 1.00 0.00 C ATOM 394 CD1 LEU A 474 -4.079 5.814 -4.589 1.00 0.00 C ATOM 395 CD2 LEU A 474 -1.808 5.140 -3.783 1.00 0.00 C ATOM 0 H LEU A 474 -0.936 2.860 -5.122 1.00 0.00 H new ATOM 0 HA LEU A 474 -3.703 3.130 -4.756 1.00 0.00 H new ATOM 0 HB2 LEU A 474 -1.581 4.387 -6.465 1.00 0.00 H new ATOM 0 HB3 LEU A 474 -3.255 4.707 -6.876 1.00 0.00 H new ATOM 0 HG LEU A 474 -2.219 6.440 -5.421 1.00 0.00 H new ATOM 0 HD11 LEU A 474 -4.095 6.599 -3.833 1.00 0.00 H new ATOM 0 HD12 LEU A 474 -4.646 6.139 -5.461 1.00 0.00 H new ATOM 0 HD13 LEU A 474 -4.528 4.908 -4.181 1.00 0.00 H new ATOM 0 HD21 LEU A 474 -1.855 5.934 -3.038 1.00 0.00 H new ATOM 0 HD22 LEU A 474 -2.199 4.217 -3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 474 -0.772 4.989 -4.087 1.00 0.00 H new ATOM 407 N LYS A 475 -2.797 1.758 -7.618 1.00 0.00 N ATOM 408 CA LYS A 475 -3.285 0.985 -8.754 1.00 0.00 C ATOM 409 C LYS A 475 -4.043 -0.254 -8.288 1.00 0.00 C ATOM 410 O LYS A 475 -5.053 -0.635 -8.878 1.00 0.00 O ATOM 411 CB LYS A 475 -2.118 0.572 -9.654 1.00 0.00 C ATOM 412 CG LYS A 475 -2.551 -0.154 -10.918 1.00 0.00 C ATOM 413 CD LYS A 475 -1.362 -0.478 -11.809 1.00 0.00 C ATOM 414 CE LYS A 475 -0.485 -1.556 -11.196 1.00 0.00 C ATOM 415 NZ LYS A 475 0.962 -1.299 -11.439 1.00 0.00 N ATOM 0 H LYS A 475 -1.785 1.886 -7.599 1.00 0.00 H new ATOM 0 HA LYS A 475 -3.970 1.615 -9.321 1.00 0.00 H new ATOM 0 HB2 LYS A 475 -1.552 1.461 -9.932 1.00 0.00 H new ATOM 0 HB3 LYS A 475 -1.444 -0.071 -9.088 1.00 0.00 H new ATOM 0 HG2 LYS A 475 -3.068 -1.075 -10.651 1.00 0.00 H new ATOM 0 HG3 LYS A 475 -3.262 0.463 -11.468 1.00 0.00 H new ATOM 0 HD2 LYS A 475 -1.717 -0.808 -12.785 1.00 0.00 H new ATOM 0 HD3 LYS A 475 -0.772 0.424 -11.972 1.00 0.00 H new ATOM 0 HE2 LYS A 475 -0.669 -1.607 -10.123 1.00 0.00 H new ATOM 0 HE3 LYS A 475 -0.757 -2.526 -11.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 1.527 -2.057 -11.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 1.143 -1.275 -12.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 1.228 -0.385 -11.019 1.00 0.00 H new ATOM 429 N LYS A 476 -3.548 -0.877 -7.224 1.00 0.00 N ATOM 430 CA LYS A 476 -4.177 -2.074 -6.676 1.00 0.00 C ATOM 431 C LYS A 476 -5.610 -1.789 -6.237 1.00 0.00 C ATOM 432 O LYS A 476 -6.467 -2.672 -6.268 1.00 0.00 O ATOM 433 CB LYS A 476 -3.366 -2.605 -5.491 1.00 0.00 C ATOM 434 CG LYS A 476 -1.949 -3.012 -5.858 1.00 0.00 C ATOM 435 CD LYS A 476 -1.936 -4.236 -6.761 1.00 0.00 C ATOM 436 CE LYS A 476 -1.722 -3.851 -8.217 1.00 0.00 C ATOM 437 NZ LYS A 476 -1.241 -5.002 -9.030 1.00 0.00 N ATOM 0 H LYS A 476 -2.713 -0.573 -6.723 1.00 0.00 H new ATOM 0 HA LYS A 476 -4.202 -2.830 -7.461 1.00 0.00 H new ATOM 0 HB2 LYS A 476 -3.326 -1.839 -4.716 1.00 0.00 H new ATOM 0 HB3 LYS A 476 -3.883 -3.464 -5.064 1.00 0.00 H new ATOM 0 HG2 LYS A 476 -1.450 -2.183 -6.360 1.00 0.00 H new ATOM 0 HG3 LYS A 476 -1.383 -3.222 -4.950 1.00 0.00 H new ATOM 0 HD2 LYS A 476 -1.145 -4.916 -6.443 1.00 0.00 H new ATOM 0 HD3 LYS A 476 -2.879 -4.774 -6.660 1.00 0.00 H new ATOM 0 HE2 LYS A 476 -2.657 -3.477 -8.635 1.00 0.00 H new ATOM 0 HE3 LYS A 476 -0.999 -3.038 -8.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 -1.107 -4.699 -10.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 -0.336 -5.344 -8.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 -1.943 -5.769 -8.996 1.00 0.00 H new ATOM 451 N PHE A 477 -5.864 -0.550 -5.826 1.00 0.00 N ATOM 452 CA PHE A 477 -7.195 -0.152 -5.377 1.00 0.00 C ATOM 453 C PHE A 477 -7.977 0.526 -6.500 1.00 0.00 C ATOM 454 O PHE A 477 -8.864 1.340 -6.245 1.00 0.00 O ATOM 455 CB PHE A 477 -7.090 0.785 -4.173 1.00 0.00 C ATOM 456 CG PHE A 477 -8.061 0.461 -3.074 1.00 0.00 C ATOM 457 CD1 PHE A 477 -9.322 1.035 -3.055 1.00 0.00 C ATOM 458 CD2 PHE A 477 -7.712 -0.418 -2.060 1.00 0.00 C ATOM 459 CE1 PHE A 477 -10.218 0.739 -2.043 1.00 0.00 C ATOM 460 CE2 PHE A 477 -8.604 -0.718 -1.048 1.00 0.00 C ATOM 461 CZ PHE A 477 -9.858 -0.139 -1.040 1.00 0.00 C ATOM 0 H PHE A 477 -5.168 0.195 -5.794 1.00 0.00 H new ATOM 0 HA PHE A 477 -7.733 -1.053 -5.083 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -6.076 0.741 -3.776 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -7.258 1.810 -4.505 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -9.609 1.721 -3.839 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -6.733 -0.873 -2.061 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -11.197 1.194 -2.038 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -8.321 -1.405 -0.264 1.00 0.00 H new ATOM 0 HZ PHE A 477 -10.556 -0.373 -0.250 1.00 0.00 H new ATOM 471 N GLN A 478 -7.645 0.185 -7.742 1.00 0.00 N ATOM 472 CA GLN A 478 -8.322 0.764 -8.897 1.00 0.00 C ATOM 473 C GLN A 478 -9.320 -0.226 -9.489 1.00 0.00 C ATOM 474 O GLN A 478 -10.345 0.168 -10.046 1.00 0.00 O ATOM 475 CB GLN A 478 -7.304 1.179 -9.960 1.00 0.00 C ATOM 476 CG GLN A 478 -6.463 2.379 -9.560 1.00 0.00 C ATOM 477 CD GLN A 478 -5.623 2.910 -10.706 1.00 0.00 C ATOM 478 OE1 GLN A 478 -5.016 2.005 -11.464 1.00 0.00 O flip ATOM 479 NE2 GLN A 478 -5.522 4.121 -10.908 1.00 0.00 N flip ATOM 0 H GLN A 478 -6.914 -0.487 -7.973 1.00 0.00 H new ATOM 0 HA GLN A 478 -8.865 1.649 -8.564 1.00 0.00 H new ATOM 0 HB2 GLN A 478 -6.644 0.337 -10.168 1.00 0.00 H new ATOM 0 HB3 GLN A 478 -7.831 1.408 -10.886 1.00 0.00 H new ATOM 0 HG2 GLN A 478 -7.117 3.171 -9.196 1.00 0.00 H new ATOM 0 HG3 GLN A 478 -5.809 2.101 -8.734 1.00 0.00 H new ATOM 0 HE21 GLN A 478 -6.006 4.782 -10.300 1.00 0.00 H new ATOM 0 HE22 GLN A 478 -4.954 4.463 -11.683 1.00 0.00 H new ATOM 488 N THR A 479 -9.012 -1.513 -9.365 1.00 0.00 N ATOM 489 CA THR A 479 -9.881 -2.562 -9.887 1.00 0.00 C ATOM 490 C THR A 479 -10.549 -3.330 -8.751 1.00 0.00 C ATOM 491 O THR A 479 -10.882 -4.506 -8.896 1.00 0.00 O ATOM 492 CB THR A 479 -9.081 -3.523 -10.770 1.00 0.00 C ATOM 493 OG1 THR A 479 -7.850 -2.941 -11.159 1.00 0.00 O ATOM 494 CG2 THR A 479 -9.815 -3.928 -12.030 1.00 0.00 C ATOM 0 H THR A 479 -8.167 -1.855 -8.907 1.00 0.00 H new ATOM 0 HA THR A 479 -10.659 -2.091 -10.488 1.00 0.00 H new ATOM 0 HB THR A 479 -8.922 -4.411 -10.159 1.00 0.00 H new ATOM 0 HG1 THR A 479 -7.353 -3.572 -11.721 1.00 0.00 H new ATOM 0 HG21 THR A 479 -9.193 -4.609 -12.610 1.00 0.00 H new ATOM 0 HG22 THR A 479 -10.747 -4.426 -11.764 1.00 0.00 H new ATOM 0 HG23 THR A 479 -10.034 -3.041 -12.625 1.00 0.00 H new ATOM 502 N LYS A 480 -10.743 -2.658 -7.620 1.00 0.00 N ATOM 503 CA LYS A 480 -11.371 -3.278 -6.459 1.00 0.00 C ATOM 504 C LYS A 480 -12.725 -2.641 -6.168 1.00 0.00 C ATOM 505 O LYS A 480 -12.930 -1.453 -6.418 1.00 0.00 O ATOM 506 CB LYS A 480 -10.462 -3.156 -5.235 1.00 0.00 C ATOM 507 CG LYS A 480 -10.931 -3.976 -4.045 1.00 0.00 C ATOM 508 CD LYS A 480 -10.028 -3.774 -2.838 1.00 0.00 C ATOM 509 CE LYS A 480 -10.404 -4.708 -1.700 1.00 0.00 C ATOM 510 NZ LYS A 480 -9.241 -5.002 -0.817 1.00 0.00 N ATOM 0 H LYS A 480 -10.474 -1.684 -7.483 1.00 0.00 H new ATOM 0 HA LYS A 480 -11.527 -4.333 -6.682 1.00 0.00 H new ATOM 0 HB2 LYS A 480 -9.455 -3.471 -5.508 1.00 0.00 H new ATOM 0 HB3 LYS A 480 -10.400 -2.108 -4.942 1.00 0.00 H new ATOM 0 HG2 LYS A 480 -11.952 -3.695 -3.788 1.00 0.00 H new ATOM 0 HG3 LYS A 480 -10.949 -5.032 -4.314 1.00 0.00 H new ATOM 0 HD2 LYS A 480 -8.991 -3.947 -3.125 1.00 0.00 H new ATOM 0 HD3 LYS A 480 -10.097 -2.740 -2.500 1.00 0.00 H new ATOM 0 HE2 LYS A 480 -11.203 -4.259 -1.110 1.00 0.00 H new ATOM 0 HE3 LYS A 480 -10.794 -5.640 -2.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 480 -9.538 -5.642 -0.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 480 -8.488 -5.454 -1.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 480 -8.884 -4.116 -0.407 1.00 0.00 H new ATOM 524 N LYS A 481 -13.646 -3.438 -5.636 1.00 0.00 N ATOM 525 CA LYS A 481 -14.981 -2.953 -5.309 1.00 0.00 C ATOM 526 C LYS A 481 -14.960 -2.136 -4.022 1.00 0.00 C ATOM 527 O LYS A 481 -14.799 -2.680 -2.930 1.00 0.00 O ATOM 528 CB LYS A 481 -15.952 -4.127 -5.165 1.00 0.00 C ATOM 529 CG LYS A 481 -17.403 -3.699 -5.011 1.00 0.00 C ATOM 530 CD LYS A 481 -18.316 -4.895 -4.794 1.00 0.00 C ATOM 531 CE LYS A 481 -19.781 -4.491 -4.825 1.00 0.00 C ATOM 532 NZ LYS A 481 -20.049 -3.307 -3.962 1.00 0.00 N ATOM 0 H LYS A 481 -13.492 -4.423 -5.422 1.00 0.00 H new ATOM 0 HA LYS A 481 -15.317 -2.310 -6.123 1.00 0.00 H new ATOM 0 HB2 LYS A 481 -15.863 -4.772 -6.039 1.00 0.00 H new ATOM 0 HB3 LYS A 481 -15.663 -4.723 -4.299 1.00 0.00 H new ATOM 0 HG2 LYS A 481 -17.494 -3.013 -4.169 1.00 0.00 H new ATOM 0 HG3 LYS A 481 -17.719 -3.155 -5.901 1.00 0.00 H new ATOM 0 HD2 LYS A 481 -18.127 -5.642 -5.565 1.00 0.00 H new ATOM 0 HD3 LYS A 481 -18.086 -5.360 -3.835 1.00 0.00 H new ATOM 0 HE2 LYS A 481 -20.074 -4.266 -5.851 1.00 0.00 H new ATOM 0 HE3 LYS A 481 -20.396 -5.328 -4.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 -21.074 -3.206 -3.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 -19.583 -3.436 -3.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 -19.678 -2.451 -4.422 1.00 0.00 H new ATOM 546 N THR A 482 -15.124 -0.825 -4.160 1.00 0.00 N ATOM 547 CA THR A 482 -15.125 0.073 -3.012 1.00 0.00 C ATOM 548 C THR A 482 -15.801 1.395 -3.360 1.00 0.00 C ATOM 549 O THR A 482 -16.601 1.919 -2.585 1.00 0.00 O ATOM 550 CB THR A 482 -13.694 0.330 -2.537 1.00 0.00 C ATOM 551 OG1 THR A 482 -12.859 0.678 -3.627 1.00 0.00 O ATOM 552 CG2 THR A 482 -13.070 -0.862 -1.844 1.00 0.00 C ATOM 0 H THR A 482 -15.258 -0.360 -5.058 1.00 0.00 H new ATOM 0 HA THR A 482 -15.687 -0.404 -2.209 1.00 0.00 H new ATOM 0 HB THR A 482 -13.770 1.148 -1.820 1.00 0.00 H new ATOM 0 HG1 THR A 482 -11.922 0.662 -3.340 1.00 0.00 H new ATOM 0 HG21 THR A 482 -12.056 -0.612 -1.533 1.00 0.00 H new ATOM 0 HG22 THR A 482 -13.664 -1.126 -0.969 1.00 0.00 H new ATOM 0 HG23 THR A 482 -13.041 -1.708 -2.531 1.00 0.00 H new ATOM 560 N GLY A 483 -15.473 1.929 -4.531 1.00 0.00 N ATOM 561 CA GLY A 483 -16.057 3.185 -4.965 1.00 0.00 C ATOM 562 C GLY A 483 -15.462 4.381 -4.248 1.00 0.00 C ATOM 563 O GLY A 483 -16.128 5.402 -4.071 1.00 0.00 O ATOM 0 H GLY A 483 -14.812 1.514 -5.188 1.00 0.00 H new ATOM 0 HA2 GLY A 483 -15.909 3.299 -6.039 1.00 0.00 H new ATOM 0 HA3 GLY A 483 -17.133 3.160 -4.792 1.00 0.00 H new ATOM 567 N LEU A 484 -14.204 4.258 -3.836 1.00 0.00 N ATOM 568 CA LEU A 484 -13.520 5.338 -3.136 1.00 0.00 C ATOM 569 C LEU A 484 -12.686 6.171 -4.103 1.00 0.00 C ATOM 570 O LEU A 484 -12.109 5.644 -5.054 1.00 0.00 O ATOM 571 CB LEU A 484 -12.626 4.772 -2.031 1.00 0.00 C ATOM 572 CG LEU A 484 -13.342 3.893 -1.004 1.00 0.00 C ATOM 573 CD1 LEU A 484 -12.336 3.230 -0.077 1.00 0.00 C ATOM 574 CD2 LEU A 484 -14.343 4.715 -0.205 1.00 0.00 C ATOM 0 H LEU A 484 -13.638 3.421 -3.975 1.00 0.00 H new ATOM 0 HA LEU A 484 -14.276 5.983 -2.688 1.00 0.00 H new ATOM 0 HB2 LEU A 484 -11.829 4.189 -2.493 1.00 0.00 H new ATOM 0 HB3 LEU A 484 -12.152 5.602 -1.508 1.00 0.00 H new ATOM 0 HG LEU A 484 -13.885 3.113 -1.537 1.00 0.00 H new ATOM 0 HD11 LEU A 484 -12.863 2.609 0.647 1.00 0.00 H new ATOM 0 HD12 LEU A 484 -11.657 2.610 -0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 484 -11.766 3.996 0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 484 -14.843 4.074 0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 484 -13.821 5.516 0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 484 -15.083 5.144 -0.881 1.00 0.00 H new ATOM 586 N SER A 485 -12.628 7.476 -3.854 1.00 0.00 N ATOM 587 CA SER A 485 -11.864 8.382 -4.704 1.00 0.00 C ATOM 588 C SER A 485 -10.370 8.098 -4.596 1.00 0.00 C ATOM 589 O SER A 485 -9.872 7.738 -3.529 1.00 0.00 O ATOM 590 CB SER A 485 -12.148 9.836 -4.321 1.00 0.00 C ATOM 591 OG SER A 485 -11.617 10.731 -5.282 1.00 0.00 O ATOM 0 H SER A 485 -13.100 7.929 -3.072 1.00 0.00 H new ATOM 0 HA SER A 485 -12.173 8.219 -5.737 1.00 0.00 H new ATOM 0 HB2 SER A 485 -13.224 9.988 -4.233 1.00 0.00 H new ATOM 0 HB3 SER A 485 -11.715 10.049 -3.344 1.00 0.00 H new ATOM 0 HG SER A 485 -11.855 11.650 -5.040 1.00 0.00 H new ATOM 597 N SER A 486 -9.660 8.261 -5.708 1.00 0.00 N ATOM 598 CA SER A 486 -8.222 8.021 -5.738 1.00 0.00 C ATOM 599 C SER A 486 -7.496 8.923 -4.746 1.00 0.00 C ATOM 600 O SER A 486 -6.512 8.516 -4.128 1.00 0.00 O ATOM 601 CB SER A 486 -7.676 8.253 -7.148 1.00 0.00 C ATOM 602 OG SER A 486 -8.372 7.467 -8.102 1.00 0.00 O ATOM 0 H SER A 486 -10.057 8.558 -6.599 1.00 0.00 H new ATOM 0 HA SER A 486 -8.047 6.984 -5.452 1.00 0.00 H new ATOM 0 HB2 SER A 486 -7.766 9.308 -7.407 1.00 0.00 H new ATOM 0 HB3 SER A 486 -6.614 8.007 -7.175 1.00 0.00 H new ATOM 0 HG SER A 486 -8.005 7.635 -8.995 1.00 0.00 H new ATOM 608 N GLU A 487 -7.985 10.149 -4.598 1.00 0.00 N ATOM 609 CA GLU A 487 -7.382 11.108 -3.681 1.00 0.00 C ATOM 610 C GLU A 487 -7.566 10.670 -2.231 1.00 0.00 C ATOM 611 O GLU A 487 -6.642 10.762 -1.423 1.00 0.00 O ATOM 612 CB GLU A 487 -7.992 12.497 -3.888 1.00 0.00 C ATOM 613 CG GLU A 487 -9.469 12.572 -3.533 1.00 0.00 C ATOM 614 CD GLU A 487 -10.078 13.922 -3.858 1.00 0.00 C ATOM 615 OE1 GLU A 487 -9.906 14.392 -5.002 1.00 0.00 O ATOM 616 OE2 GLU A 487 -10.728 14.509 -2.967 1.00 0.00 O ATOM 0 H GLU A 487 -8.798 10.502 -5.102 1.00 0.00 H new ATOM 0 HA GLU A 487 -6.314 11.151 -3.894 1.00 0.00 H new ATOM 0 HB2 GLU A 487 -7.444 13.219 -3.283 1.00 0.00 H new ATOM 0 HB3 GLU A 487 -7.862 12.790 -4.930 1.00 0.00 H new ATOM 0 HG2 GLU A 487 -10.009 11.794 -4.073 1.00 0.00 H new ATOM 0 HG3 GLU A 487 -9.594 12.367 -2.470 1.00 0.00 H new ATOM 623 N GLN A 488 -8.763 10.191 -1.910 1.00 0.00 N ATOM 624 CA GLN A 488 -9.066 9.738 -0.558 1.00 0.00 C ATOM 625 C GLN A 488 -8.201 8.542 -0.176 1.00 0.00 C ATOM 626 O GLN A 488 -7.765 8.418 0.969 1.00 0.00 O ATOM 627 CB GLN A 488 -10.546 9.370 -0.440 1.00 0.00 C ATOM 628 CG GLN A 488 -11.485 10.549 -0.641 1.00 0.00 C ATOM 629 CD GLN A 488 -11.269 11.647 0.381 1.00 0.00 C ATOM 630 OE1 GLN A 488 -11.230 11.391 1.585 1.00 0.00 O ATOM 631 NE2 GLN A 488 -11.127 12.879 -0.095 1.00 0.00 N ATOM 0 H GLN A 488 -9.538 10.107 -2.567 1.00 0.00 H new ATOM 0 HA GLN A 488 -8.846 10.556 0.129 1.00 0.00 H new ATOM 0 HB2 GLN A 488 -10.780 8.600 -1.176 1.00 0.00 H new ATOM 0 HB3 GLN A 488 -10.727 8.936 0.544 1.00 0.00 H new ATOM 0 HG2 GLN A 488 -11.342 10.956 -1.642 1.00 0.00 H new ATOM 0 HG3 GLN A 488 -12.516 10.201 -0.583 1.00 0.00 H new ATOM 0 HE21 GLN A 488 -11.166 13.045 -1.101 1.00 0.00 H new ATOM 0 HE22 GLN A 488 -10.979 13.659 0.545 1.00 0.00 H new ATOM 640 N THR A 489 -7.956 7.664 -1.142 1.00 0.00 N ATOM 641 CA THR A 489 -7.142 6.476 -0.908 1.00 0.00 C ATOM 642 C THR A 489 -5.727 6.859 -0.486 1.00 0.00 C ATOM 643 O THR A 489 -5.138 6.228 0.392 1.00 0.00 O ATOM 644 CB THR A 489 -7.094 5.609 -2.168 1.00 0.00 C ATOM 645 OG1 THR A 489 -8.403 5.296 -2.610 1.00 0.00 O ATOM 646 CG2 THR A 489 -6.352 4.306 -1.969 1.00 0.00 C ATOM 0 H THR A 489 -8.309 7.752 -2.095 1.00 0.00 H new ATOM 0 HA THR A 489 -7.600 5.906 -0.100 1.00 0.00 H new ATOM 0 HB THR A 489 -6.559 6.203 -2.909 1.00 0.00 H new ATOM 0 HG1 THR A 489 -8.815 6.093 -3.004 1.00 0.00 H new ATOM 0 HG21 THR A 489 -6.355 3.740 -2.900 1.00 0.00 H new ATOM 0 HG22 THR A 489 -5.323 4.514 -1.675 1.00 0.00 H new ATOM 0 HG23 THR A 489 -6.842 3.724 -1.189 1.00 0.00 H new ATOM 654 N VAL A 490 -5.185 7.895 -1.118 1.00 0.00 N ATOM 655 CA VAL A 490 -3.839 8.361 -0.808 1.00 0.00 C ATOM 656 C VAL A 490 -3.752 8.880 0.623 1.00 0.00 C ATOM 657 O VAL A 490 -2.808 8.571 1.349 1.00 0.00 O ATOM 658 CB VAL A 490 -3.393 9.473 -1.776 1.00 0.00 C ATOM 659 CG1 VAL A 490 -1.935 9.838 -1.539 1.00 0.00 C ATOM 660 CG2 VAL A 490 -3.616 9.047 -3.218 1.00 0.00 C ATOM 0 H VAL A 490 -5.658 8.428 -1.848 1.00 0.00 H new ATOM 0 HA VAL A 490 -3.174 7.505 -0.920 1.00 0.00 H new ATOM 0 HB VAL A 490 -3.999 10.358 -1.585 1.00 0.00 H new ATOM 0 HG11 VAL A 490 -1.640 10.625 -2.233 1.00 0.00 H new ATOM 0 HG12 VAL A 490 -1.810 10.191 -0.515 1.00 0.00 H new ATOM 0 HG13 VAL A 490 -1.309 8.960 -1.699 1.00 0.00 H new ATOM 0 HG21 VAL A 490 -3.295 9.845 -3.887 1.00 0.00 H new ATOM 0 HG22 VAL A 490 -3.038 8.146 -3.425 1.00 0.00 H new ATOM 0 HG23 VAL A 490 -4.675 8.844 -3.378 1.00 0.00 H new ATOM 670 N ASN A 491 -4.740 9.675 1.020 1.00 0.00 N ATOM 671 CA ASN A 491 -4.772 10.240 2.364 1.00 0.00 C ATOM 672 C ASN A 491 -4.801 9.137 3.419 1.00 0.00 C ATOM 673 O ASN A 491 -4.055 9.181 4.397 1.00 0.00 O ATOM 674 CB ASN A 491 -5.991 11.150 2.529 1.00 0.00 C ATOM 675 CG ASN A 491 -5.991 12.301 1.543 1.00 0.00 C ATOM 676 OD1 ASN A 491 -6.987 12.552 0.865 1.00 0.00 O ATOM 677 ND2 ASN A 491 -4.870 13.007 1.457 1.00 0.00 N ATOM 0 H ASN A 491 -5.528 9.942 0.431 1.00 0.00 H new ATOM 0 HA ASN A 491 -3.865 10.829 2.504 1.00 0.00 H new ATOM 0 HB2 ASN A 491 -6.900 10.563 2.398 1.00 0.00 H new ATOM 0 HB3 ASN A 491 -6.011 11.545 3.545 1.00 0.00 H new ATOM 0 HD21 ASN A 491 -4.811 13.793 0.810 1.00 0.00 H new ATOM 0 HD22 ASN A 491 -4.068 12.764 2.038 1.00 0.00 H new ATOM 684 N VAL A 492 -5.666 8.150 3.213 1.00 0.00 N ATOM 685 CA VAL A 492 -5.791 7.037 4.145 1.00 0.00 C ATOM 686 C VAL A 492 -4.608 6.082 4.022 1.00 0.00 C ATOM 687 O VAL A 492 -4.038 5.651 5.023 1.00 0.00 O ATOM 688 CB VAL A 492 -7.097 6.254 3.914 1.00 0.00 C ATOM 689 CG1 VAL A 492 -7.288 5.198 4.993 1.00 0.00 C ATOM 690 CG2 VAL A 492 -8.286 7.201 3.868 1.00 0.00 C ATOM 0 H VAL A 492 -6.291 8.099 2.408 1.00 0.00 H new ATOM 0 HA VAL A 492 -5.806 7.464 5.148 1.00 0.00 H new ATOM 0 HB VAL A 492 -7.028 5.746 2.952 1.00 0.00 H new ATOM 0 HG11 VAL A 492 -8.216 4.656 4.812 1.00 0.00 H new ATOM 0 HG12 VAL A 492 -6.451 4.501 4.972 1.00 0.00 H new ATOM 0 HG13 VAL A 492 -7.334 5.680 5.970 1.00 0.00 H new ATOM 0 HG21 VAL A 492 -9.200 6.630 3.704 1.00 0.00 H new ATOM 0 HG22 VAL A 492 -8.359 7.739 4.813 1.00 0.00 H new ATOM 0 HG23 VAL A 492 -8.152 7.913 3.054 1.00 0.00 H new ATOM 700 N LEU A 493 -4.246 5.756 2.785 1.00 0.00 N ATOM 701 CA LEU A 493 -3.132 4.851 2.527 1.00 0.00 C ATOM 702 C LEU A 493 -1.822 5.436 3.049 1.00 0.00 C ATOM 703 O LEU A 493 -0.952 4.707 3.524 1.00 0.00 O ATOM 704 CB LEU A 493 -3.017 4.566 1.028 1.00 0.00 C ATOM 705 CG LEU A 493 -1.959 3.530 0.645 1.00 0.00 C ATOM 706 CD1 LEU A 493 -2.434 2.692 -0.533 1.00 0.00 C ATOM 707 CD2 LEU A 493 -0.640 4.214 0.317 1.00 0.00 C ATOM 0 H LEU A 493 -4.708 6.105 1.946 1.00 0.00 H new ATOM 0 HA LEU A 493 -3.326 3.917 3.054 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -3.986 4.225 0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -2.793 5.500 0.512 1.00 0.00 H new ATOM 0 HG LEU A 493 -1.801 2.867 1.496 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -1.668 1.960 -0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -3.354 2.174 -0.263 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -2.620 3.340 -1.389 1.00 0.00 H new ATOM 0 HD21 LEU A 493 0.102 3.463 0.047 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -0.783 4.900 -0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -0.292 4.770 1.187 1.00 0.00 H new ATOM 719 N ALA A 494 -1.690 6.754 2.956 1.00 0.00 N ATOM 720 CA ALA A 494 -0.486 7.432 3.421 1.00 0.00 C ATOM 721 C ALA A 494 -0.405 7.420 4.943 1.00 0.00 C ATOM 722 O ALA A 494 0.680 7.321 5.517 1.00 0.00 O ATOM 723 CB ALA A 494 -0.452 8.861 2.900 1.00 0.00 C ATOM 0 H ALA A 494 -2.400 7.373 2.564 1.00 0.00 H new ATOM 0 HA ALA A 494 0.379 6.894 3.032 1.00 0.00 H new ATOM 0 HB1 ALA A 494 0.452 9.356 3.254 1.00 0.00 H new ATOM 0 HB2 ALA A 494 -0.457 8.851 1.810 1.00 0.00 H new ATOM 0 HB3 ALA A 494 -1.327 9.401 3.262 1.00 0.00 H new ATOM 729 N GLN A 495 -1.560 7.522 5.591 1.00 0.00 N ATOM 730 CA GLN A 495 -1.624 7.525 7.048 1.00 0.00 C ATOM 731 C GLN A 495 -1.578 6.105 7.607 1.00 0.00 C ATOM 732 O GLN A 495 -0.916 5.845 8.611 1.00 0.00 O ATOM 733 CB GLN A 495 -2.896 8.229 7.522 1.00 0.00 C ATOM 734 CG GLN A 495 -2.908 9.722 7.240 1.00 0.00 C ATOM 735 CD GLN A 495 -4.143 10.410 7.786 1.00 0.00 C ATOM 736 OE1 GLN A 495 -4.243 10.674 8.985 1.00 0.00 O ATOM 737 NE2 GLN A 495 -5.094 10.704 6.906 1.00 0.00 N ATOM 0 H GLN A 495 -2.466 7.604 5.130 1.00 0.00 H new ATOM 0 HA GLN A 495 -0.754 8.067 7.419 1.00 0.00 H new ATOM 0 HB2 GLN A 495 -3.757 7.770 7.037 1.00 0.00 H new ATOM 0 HB3 GLN A 495 -3.011 8.070 8.594 1.00 0.00 H new ATOM 0 HG2 GLN A 495 -2.020 10.178 7.678 1.00 0.00 H new ATOM 0 HG3 GLN A 495 -2.852 9.885 6.164 1.00 0.00 H new ATOM 0 HE21 GLN A 495 -4.969 10.467 5.922 1.00 0.00 H new ATOM 0 HE22 GLN A 495 -5.949 11.167 7.215 1.00 0.00 H new ATOM 746 N ILE A 496 -2.287 5.190 6.952 1.00 0.00 N ATOM 747 CA ILE A 496 -2.326 3.800 7.391 1.00 0.00 C ATOM 748 C ILE A 496 -0.931 3.184 7.382 1.00 0.00 C ATOM 749 O ILE A 496 -0.521 2.529 8.341 1.00 0.00 O ATOM 750 CB ILE A 496 -3.282 2.959 6.509 1.00 0.00 C ATOM 751 CG1 ILE A 496 -3.830 1.773 7.303 1.00 0.00 C ATOM 752 CG2 ILE A 496 -2.598 2.481 5.233 1.00 0.00 C ATOM 753 CD1 ILE A 496 -5.055 1.142 6.677 1.00 0.00 C ATOM 0 H ILE A 496 -2.840 5.386 6.118 1.00 0.00 H new ATOM 0 HA ILE A 496 -2.704 3.793 8.413 1.00 0.00 H new ATOM 0 HB ILE A 496 -4.112 3.600 6.213 1.00 0.00 H new ATOM 0 HG12 ILE A 496 -3.050 1.018 7.397 1.00 0.00 H new ATOM 0 HG13 ILE A 496 -4.077 2.104 8.312 1.00 0.00 H new ATOM 0 HG21 ILE A 496 -3.301 1.895 4.641 1.00 0.00 H new ATOM 0 HG22 ILE A 496 -2.266 3.342 4.654 1.00 0.00 H new ATOM 0 HG23 ILE A 496 -1.737 1.864 5.491 1.00 0.00 H new ATOM 0 HD11 ILE A 496 -5.389 0.307 7.293 1.00 0.00 H new ATOM 0 HD12 ILE A 496 -5.851 1.883 6.607 1.00 0.00 H new ATOM 0 HD13 ILE A 496 -4.808 0.780 5.679 1.00 0.00 H new ATOM 765 N LEU A 497 -0.211 3.402 6.292 1.00 0.00 N ATOM 766 CA LEU A 497 1.141 2.873 6.146 1.00 0.00 C ATOM 767 C LEU A 497 2.089 3.516 7.152 1.00 0.00 C ATOM 768 O LEU A 497 3.038 2.885 7.617 1.00 0.00 O ATOM 769 CB LEU A 497 1.654 3.106 4.723 1.00 0.00 C ATOM 770 CG LEU A 497 0.883 2.369 3.627 1.00 0.00 C ATOM 771 CD1 LEU A 497 1.353 2.817 2.252 1.00 0.00 C ATOM 772 CD2 LEU A 497 1.042 0.863 3.781 1.00 0.00 C ATOM 0 H LEU A 497 -0.540 3.943 5.492 1.00 0.00 H new ATOM 0 HA LEU A 497 1.106 1.801 6.340 1.00 0.00 H new ATOM 0 HB2 LEU A 497 1.622 4.175 4.512 1.00 0.00 H new ATOM 0 HB3 LEU A 497 2.700 2.803 4.676 1.00 0.00 H new ATOM 0 HG LEU A 497 -0.174 2.614 3.727 1.00 0.00 H new ATOM 0 HD11 LEU A 497 0.794 2.282 1.484 1.00 0.00 H new ATOM 0 HD12 LEU A 497 1.187 3.889 2.142 1.00 0.00 H new ATOM 0 HD13 LEU A 497 2.416 2.602 2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 497 0.486 0.356 2.992 1.00 0.00 H new ATOM 0 HD22 LEU A 497 2.097 0.599 3.709 1.00 0.00 H new ATOM 0 HD23 LEU A 497 0.657 0.554 4.753 1.00 0.00 H new ATOM 784 N LYS A 498 1.829 4.777 7.483 1.00 0.00 N ATOM 785 CA LYS A 498 2.661 5.506 8.434 1.00 0.00 C ATOM 786 C LYS A 498 2.704 4.792 9.781 1.00 0.00 C ATOM 787 O LYS A 498 3.773 4.607 10.363 1.00 0.00 O ATOM 788 CB LYS A 498 2.134 6.931 8.616 1.00 0.00 C ATOM 789 CG LYS A 498 3.022 7.800 9.492 1.00 0.00 C ATOM 790 CD LYS A 498 2.424 9.183 9.692 1.00 0.00 C ATOM 791 CE LYS A 498 3.389 10.108 10.417 1.00 0.00 C ATOM 792 NZ LYS A 498 2.990 11.537 10.292 1.00 0.00 N ATOM 0 H LYS A 498 1.049 5.315 7.107 1.00 0.00 H new ATOM 0 HA LYS A 498 3.674 5.548 8.034 1.00 0.00 H new ATOM 0 HB2 LYS A 498 2.033 7.400 7.637 1.00 0.00 H new ATOM 0 HB3 LYS A 498 1.137 6.888 9.054 1.00 0.00 H new ATOM 0 HG2 LYS A 498 3.162 7.319 10.460 1.00 0.00 H new ATOM 0 HG3 LYS A 498 4.008 7.891 9.036 1.00 0.00 H new ATOM 0 HD2 LYS A 498 2.165 9.612 8.724 1.00 0.00 H new ATOM 0 HD3 LYS A 498 1.499 9.101 10.262 1.00 0.00 H new ATOM 0 HE2 LYS A 498 3.431 9.834 11.471 1.00 0.00 H new ATOM 0 HE3 LYS A 498 4.392 9.975 10.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 3.674 12.134 10.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 2.974 11.806 9.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 2.043 11.670 10.701 1.00 0.00 H new ATOM 806 N ARG A 499 1.536 4.390 10.271 1.00 0.00 N ATOM 807 CA ARG A 499 1.442 3.694 11.549 1.00 0.00 C ATOM 808 C ARG A 499 2.187 2.365 11.500 1.00 0.00 C ATOM 809 O ARG A 499 2.894 2.003 12.439 1.00 0.00 O ATOM 810 CB ARG A 499 -0.023 3.456 11.918 1.00 0.00 C ATOM 811 CG ARG A 499 -0.210 2.814 13.284 1.00 0.00 C ATOM 812 CD ARG A 499 -1.012 1.526 13.194 1.00 0.00 C ATOM 813 NE ARG A 499 -2.340 1.747 12.624 1.00 0.00 N ATOM 814 CZ ARG A 499 -3.373 2.224 13.313 1.00 0.00 C ATOM 815 NH1 ARG A 499 -3.238 2.533 14.597 1.00 0.00 N ATOM 816 NH2 ARG A 499 -4.546 2.392 12.717 1.00 0.00 N ATOM 0 H ARG A 499 0.642 4.534 9.803 1.00 0.00 H new ATOM 0 HA ARG A 499 1.904 4.322 12.311 1.00 0.00 H new ATOM 0 HB2 ARG A 499 -0.553 4.408 11.898 1.00 0.00 H new ATOM 0 HB3 ARG A 499 -0.481 2.820 11.161 1.00 0.00 H new ATOM 0 HG2 ARG A 499 0.765 2.606 13.725 1.00 0.00 H new ATOM 0 HG3 ARG A 499 -0.718 3.513 13.948 1.00 0.00 H new ATOM 0 HD2 ARG A 499 -0.471 0.804 12.583 1.00 0.00 H new ATOM 0 HD3 ARG A 499 -1.112 1.091 14.188 1.00 0.00 H new ATOM 0 HE ARG A 499 -2.483 1.522 11.639 1.00 0.00 H new ATOM 0 HH11 ARG A 499 -2.338 2.405 15.060 1.00 0.00 H new ATOM 0 HH12 ARG A 499 -4.034 2.898 15.120 1.00 0.00 H new ATOM 0 HH21 ARG A 499 -4.656 2.155 11.731 1.00 0.00 H new ATOM 0 HH22 ARG A 499 -5.339 2.758 13.245 1.00 0.00 H new ATOM 830 N LEU A 500 2.023 1.643 10.396 1.00 0.00 N ATOM 831 CA LEU A 500 2.678 0.352 10.222 1.00 0.00 C ATOM 832 C LEU A 500 4.196 0.508 10.205 1.00 0.00 C ATOM 833 O LEU A 500 4.923 -0.342 10.717 1.00 0.00 O ATOM 834 CB LEU A 500 2.208 -0.311 8.927 1.00 0.00 C ATOM 835 CG LEU A 500 2.770 -1.711 8.673 1.00 0.00 C ATOM 836 CD1 LEU A 500 2.134 -2.721 9.614 1.00 0.00 C ATOM 837 CD2 LEU A 500 2.550 -2.117 7.223 1.00 0.00 C ATOM 0 H LEU A 500 1.442 1.930 9.609 1.00 0.00 H new ATOM 0 HA LEU A 500 2.406 -0.281 11.066 1.00 0.00 H new ATOM 0 HB2 LEU A 500 1.120 -0.371 8.942 1.00 0.00 H new ATOM 0 HB3 LEU A 500 2.481 0.331 8.089 1.00 0.00 H new ATOM 0 HG LEU A 500 3.843 -1.692 8.866 1.00 0.00 H new ATOM 0 HD11 LEU A 500 2.546 -3.711 9.418 1.00 0.00 H new ATOM 0 HD12 LEU A 500 2.343 -2.439 10.646 1.00 0.00 H new ATOM 0 HD13 LEU A 500 1.056 -2.739 9.454 1.00 0.00 H new ATOM 0 HD21 LEU A 500 2.956 -3.115 7.059 1.00 0.00 H new ATOM 0 HD22 LEU A 500 1.482 -2.119 7.004 1.00 0.00 H new ATOM 0 HD23 LEU A 500 3.054 -1.408 6.566 1.00 0.00 H new ATOM 849 N ASN A 501 4.664 1.599 9.610 1.00 0.00 N ATOM 850 CA ASN A 501 6.095 1.869 9.523 1.00 0.00 C ATOM 851 C ASN A 501 6.818 0.739 8.793 1.00 0.00 C ATOM 852 O ASN A 501 7.777 0.166 9.309 1.00 0.00 O ATOM 853 CB ASN A 501 6.686 2.052 10.923 1.00 0.00 C ATOM 854 CG ASN A 501 8.152 2.438 10.885 1.00 0.00 C ATOM 855 OD1 ASN A 501 8.719 2.663 9.817 1.00 0.00 O ATOM 856 ND2 ASN A 501 8.774 2.516 12.056 1.00 0.00 N ATOM 0 H ASN A 501 4.074 2.311 9.180 1.00 0.00 H new ATOM 0 HA ASN A 501 6.234 2.789 8.956 1.00 0.00 H new ATOM 0 HB2 ASN A 501 6.124 2.820 11.454 1.00 0.00 H new ATOM 0 HB3 ASN A 501 6.571 1.126 11.487 1.00 0.00 H new ATOM 0 HD21 ASN A 501 9.761 2.771 12.093 1.00 0.00 H new ATOM 0 HD22 ASN A 501 8.265 2.321 12.918 1.00 0.00 H new ATOM 863 N PRO A 502 6.365 0.403 7.572 1.00 0.00 N ATOM 864 CA PRO A 502 6.973 -0.663 6.769 1.00 0.00 C ATOM 865 C PRO A 502 8.359 -0.285 6.259 1.00 0.00 C ATOM 866 O PRO A 502 8.617 0.874 5.934 1.00 0.00 O ATOM 867 CB PRO A 502 6.000 -0.829 5.601 1.00 0.00 C ATOM 868 CG PRO A 502 5.325 0.493 5.480 1.00 0.00 C ATOM 869 CD PRO A 502 5.227 1.036 6.880 1.00 0.00 C ATOM 0 HA PRO A 502 7.122 -1.574 7.348 1.00 0.00 H new ATOM 0 HB2 PRO A 502 6.525 -1.091 4.682 1.00 0.00 H new ATOM 0 HB3 PRO A 502 5.281 -1.625 5.795 1.00 0.00 H new ATOM 0 HG2 PRO A 502 5.895 1.166 4.839 1.00 0.00 H new ATOM 0 HG3 PRO A 502 4.337 0.387 5.032 1.00 0.00 H new ATOM 0 HD2 PRO A 502 5.302 2.123 6.895 1.00 0.00 H new ATOM 0 HD3 PRO A 502 4.277 0.775 7.347 1.00 0.00 H new ATOM 877 N GLU A 503 9.248 -1.271 6.190 1.00 0.00 N ATOM 878 CA GLU A 503 10.608 -1.041 5.716 1.00 0.00 C ATOM 879 C GLU A 503 10.603 -0.549 4.273 1.00 0.00 C ATOM 880 O GLU A 503 9.753 -0.944 3.475 1.00 0.00 O ATOM 881 CB GLU A 503 11.434 -2.325 5.826 1.00 0.00 C ATOM 882 CG GLU A 503 11.652 -2.788 7.258 1.00 0.00 C ATOM 883 CD GLU A 503 10.507 -3.633 7.780 1.00 0.00 C ATOM 884 OE1 GLU A 503 9.679 -4.084 6.960 1.00 0.00 O ATOM 885 OE2 GLU A 503 10.439 -3.846 9.008 1.00 0.00 O ATOM 0 H GLU A 503 9.051 -2.236 6.456 1.00 0.00 H new ATOM 0 HA GLU A 503 11.060 -0.272 6.343 1.00 0.00 H new ATOM 0 HB2 GLU A 503 10.934 -3.117 5.269 1.00 0.00 H new ATOM 0 HB3 GLU A 503 12.403 -2.165 5.353 1.00 0.00 H new ATOM 0 HG2 GLU A 503 12.577 -3.362 7.313 1.00 0.00 H new ATOM 0 HG3 GLU A 503 11.779 -1.918 7.902 1.00 0.00 H new ATOM 892 N ARG A 504 11.555 0.317 3.944 1.00 0.00 N ATOM 893 CA ARG A 504 11.658 0.864 2.596 1.00 0.00 C ATOM 894 C ARG A 504 12.903 0.340 1.887 1.00 0.00 C ATOM 895 O ARG A 504 13.965 0.206 2.494 1.00 0.00 O ATOM 896 CB ARG A 504 11.689 2.393 2.645 1.00 0.00 C ATOM 897 CG ARG A 504 12.915 2.954 3.347 1.00 0.00 C ATOM 898 CD ARG A 504 12.789 4.451 3.577 1.00 0.00 C ATOM 899 NE ARG A 504 14.011 5.025 4.136 1.00 0.00 N ATOM 900 CZ ARG A 504 14.290 6.326 4.128 1.00 0.00 C ATOM 901 NH1 ARG A 504 13.438 7.192 3.591 1.00 0.00 N ATOM 902 NH2 ARG A 504 15.424 6.764 4.657 1.00 0.00 N ATOM 0 H ARG A 504 12.266 0.655 4.592 1.00 0.00 H new ATOM 0 HA ARG A 504 10.782 0.543 2.033 1.00 0.00 H new ATOM 0 HB2 ARG A 504 11.654 2.782 1.627 1.00 0.00 H new ATOM 0 HB3 ARG A 504 10.794 2.750 3.154 1.00 0.00 H new ATOM 0 HG2 ARG A 504 13.051 2.448 4.303 1.00 0.00 H new ATOM 0 HG3 ARG A 504 13.803 2.750 2.749 1.00 0.00 H new ATOM 0 HD2 ARG A 504 12.556 4.944 2.633 1.00 0.00 H new ATOM 0 HD3 ARG A 504 11.956 4.645 4.252 1.00 0.00 H new ATOM 0 HE ARG A 504 14.690 4.391 4.557 1.00 0.00 H new ATOM 0 HH11 ARG A 504 12.564 6.861 3.182 1.00 0.00 H new ATOM 0 HH12 ARG A 504 13.657 8.188 3.588 1.00 0.00 H new ATOM 0 HH21 ARG A 504 16.083 6.104 5.070 1.00 0.00 H new ATOM 0 HH22 ARG A 504 15.638 7.761 4.651 1.00 0.00 H new ATOM 916 N LYS A 505 12.764 0.047 0.598 1.00 0.00 N ATOM 917 CA LYS A 505 13.876 -0.461 -0.196 1.00 0.00 C ATOM 918 C LYS A 505 14.047 0.354 -1.474 1.00 0.00 C ATOM 919 O LYS A 505 13.070 0.828 -2.055 1.00 0.00 O ATOM 920 CB LYS A 505 13.652 -1.934 -0.543 1.00 0.00 C ATOM 921 CG LYS A 505 13.413 -2.815 0.672 1.00 0.00 C ATOM 922 CD LYS A 505 14.623 -2.836 1.591 1.00 0.00 C ATOM 923 CE LYS A 505 14.450 -3.842 2.718 1.00 0.00 C ATOM 924 NZ LYS A 505 15.126 -3.398 3.968 1.00 0.00 N ATOM 0 H LYS A 505 11.891 0.153 0.081 1.00 0.00 H new ATOM 0 HA LYS A 505 14.786 -0.370 0.397 1.00 0.00 H new ATOM 0 HB2 LYS A 505 12.797 -2.015 -1.214 1.00 0.00 H new ATOM 0 HB3 LYS A 505 14.520 -2.307 -1.087 1.00 0.00 H new ATOM 0 HG2 LYS A 505 12.544 -2.452 1.221 1.00 0.00 H new ATOM 0 HG3 LYS A 505 13.184 -3.830 0.347 1.00 0.00 H new ATOM 0 HD2 LYS A 505 15.514 -3.084 1.015 1.00 0.00 H new ATOM 0 HD3 LYS A 505 14.780 -1.842 2.010 1.00 0.00 H new ATOM 0 HE2 LYS A 505 13.388 -3.990 2.913 1.00 0.00 H new ATOM 0 HE3 LYS A 505 14.855 -4.806 2.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 505 14.984 -4.111 4.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 505 16.144 -3.281 3.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 505 14.723 -2.491 4.277 1.00 0.00 H new ATOM 938 N MET A 506 15.292 0.516 -1.906 1.00 0.00 N ATOM 939 CA MET A 506 15.589 1.275 -3.115 1.00 0.00 C ATOM 940 C MET A 506 15.792 0.347 -4.307 1.00 0.00 C ATOM 941 O MET A 506 16.818 -0.325 -4.417 1.00 0.00 O ATOM 942 CB MET A 506 16.836 2.137 -2.908 1.00 0.00 C ATOM 943 CG MET A 506 16.664 3.212 -1.848 1.00 0.00 C ATOM 944 SD MET A 506 18.098 4.297 -1.718 1.00 0.00 S ATOM 945 CE MET A 506 17.639 5.301 -0.308 1.00 0.00 C ATOM 0 H MET A 506 16.112 0.132 -1.437 1.00 0.00 H new ATOM 0 HA MET A 506 14.737 1.922 -3.324 1.00 0.00 H new ATOM 0 HB2 MET A 506 17.670 1.493 -2.629 1.00 0.00 H new ATOM 0 HB3 MET A 506 17.101 2.610 -3.853 1.00 0.00 H new ATOM 0 HG2 MET A 506 15.782 3.809 -2.081 1.00 0.00 H new ATOM 0 HG3 MET A 506 16.483 2.739 -0.883 1.00 0.00 H new ATOM 0 HE1 MET A 506 18.429 6.023 -0.103 1.00 0.00 H new ATOM 0 HE2 MET A 506 16.711 5.830 -0.525 1.00 0.00 H new ATOM 0 HE3 MET A 506 17.497 4.662 0.563 1.00 0.00 H new ATOM 955 N ILE A 507 14.808 0.314 -5.200 1.00 0.00 N ATOM 956 CA ILE A 507 14.878 -0.531 -6.385 1.00 0.00 C ATOM 957 C ILE A 507 14.733 0.298 -7.658 1.00 0.00 C ATOM 958 O ILE A 507 13.727 0.978 -7.856 1.00 0.00 O ATOM 959 CB ILE A 507 13.785 -1.618 -6.367 1.00 0.00 C ATOM 960 CG1 ILE A 507 13.810 -2.374 -5.038 1.00 0.00 C ATOM 961 CG2 ILE A 507 13.971 -2.579 -7.532 1.00 0.00 C ATOM 962 CD1 ILE A 507 12.710 -3.405 -4.908 1.00 0.00 C ATOM 0 H ILE A 507 13.952 0.864 -5.125 1.00 0.00 H new ATOM 0 HA ILE A 507 15.857 -1.011 -6.374 1.00 0.00 H new ATOM 0 HB ILE A 507 12.813 -1.136 -6.472 1.00 0.00 H new ATOM 0 HG12 ILE A 507 14.775 -2.869 -4.929 1.00 0.00 H new ATOM 0 HG13 ILE A 507 13.724 -1.658 -4.220 1.00 0.00 H new ATOM 0 HG21 ILE A 507 13.191 -3.340 -7.504 1.00 0.00 H new ATOM 0 HG22 ILE A 507 13.908 -2.029 -8.471 1.00 0.00 H new ATOM 0 HG23 ILE A 507 14.947 -3.057 -7.457 1.00 0.00 H new ATOM 0 HD11 ILE A 507 12.789 -3.902 -3.941 1.00 0.00 H new ATOM 0 HD12 ILE A 507 11.740 -2.914 -4.985 1.00 0.00 H new ATOM 0 HD13 ILE A 507 12.807 -4.143 -5.704 1.00 0.00 H new ATOM 974 N ASN A 508 15.748 0.240 -8.516 1.00 0.00 N ATOM 975 CA ASN A 508 15.734 0.987 -9.769 1.00 0.00 C ATOM 976 C ASN A 508 15.572 2.482 -9.509 1.00 0.00 C ATOM 977 O ASN A 508 14.815 3.165 -10.198 1.00 0.00 O ATOM 978 CB ASN A 508 14.604 0.488 -10.672 1.00 0.00 C ATOM 979 CG ASN A 508 14.947 -0.822 -11.356 1.00 0.00 C ATOM 980 OD1 ASN A 508 15.161 -1.865 -10.564 1.00 0.00 O flip ATOM 981 ND2 ASN A 508 15.018 -0.894 -12.583 1.00 0.00 N flip ATOM 0 H ASN A 508 16.590 -0.316 -8.366 1.00 0.00 H new ATOM 0 HA ASN A 508 16.688 0.825 -10.271 1.00 0.00 H new ATOM 0 HB2 ASN A 508 13.699 0.359 -10.079 1.00 0.00 H new ATOM 0 HB3 ASN A 508 14.386 1.243 -11.427 1.00 0.00 H new ATOM 0 HD21 ASN A 508 14.846 -0.066 -13.153 1.00 0.00 H new ATOM 0 HD22 ASN A 508 15.249 -1.782 -13.029 1.00 0.00 H new ATOM 988 N ASP A 509 16.291 2.983 -8.510 1.00 0.00 N ATOM 989 CA ASP A 509 16.229 4.397 -8.157 1.00 0.00 C ATOM 990 C ASP A 509 14.813 4.794 -7.749 1.00 0.00 C ATOM 991 O ASP A 509 14.358 5.898 -8.046 1.00 0.00 O ATOM 992 CB ASP A 509 16.695 5.259 -9.331 1.00 0.00 C ATOM 993 CG ASP A 509 18.152 5.025 -9.678 1.00 0.00 C ATOM 994 OD1 ASP A 509 18.883 4.468 -8.831 1.00 0.00 O ATOM 995 OD2 ASP A 509 18.564 5.398 -10.797 1.00 0.00 O ATOM 0 H ASP A 509 16.923 2.431 -7.930 1.00 0.00 H new ATOM 0 HA ASP A 509 16.893 4.563 -7.308 1.00 0.00 H new ATOM 0 HB2 ASP A 509 16.078 5.044 -10.203 1.00 0.00 H new ATOM 0 HB3 ASP A 509 16.547 6.311 -9.087 1.00 0.00 H new ATOM 1000 N LYS A 510 14.123 3.887 -7.067 1.00 0.00 N ATOM 1001 CA LYS A 510 12.760 4.142 -6.615 1.00 0.00 C ATOM 1002 C LYS A 510 12.555 3.636 -5.191 1.00 0.00 C ATOM 1003 O LYS A 510 13.213 2.690 -4.757 1.00 0.00 O ATOM 1004 CB LYS A 510 11.755 3.473 -7.555 1.00 0.00 C ATOM 1005 CG LYS A 510 11.844 3.964 -8.991 1.00 0.00 C ATOM 1006 CD LYS A 510 11.453 5.427 -9.103 1.00 0.00 C ATOM 1007 CE LYS A 510 11.381 5.875 -10.554 1.00 0.00 C ATOM 1008 NZ LYS A 510 10.391 6.970 -10.750 1.00 0.00 N ATOM 0 H LYS A 510 14.485 2.968 -6.815 1.00 0.00 H new ATOM 0 HA LYS A 510 12.596 5.220 -6.626 1.00 0.00 H new ATOM 0 HB2 LYS A 510 11.916 2.395 -7.538 1.00 0.00 H new ATOM 0 HB3 LYS A 510 10.747 3.651 -7.181 1.00 0.00 H new ATOM 0 HG2 LYS A 510 12.860 3.828 -9.361 1.00 0.00 H new ATOM 0 HG3 LYS A 510 11.192 3.362 -9.624 1.00 0.00 H new ATOM 0 HD2 LYS A 510 10.486 5.584 -8.624 1.00 0.00 H new ATOM 0 HD3 LYS A 510 12.177 6.040 -8.567 1.00 0.00 H new ATOM 0 HE2 LYS A 510 12.365 6.213 -10.878 1.00 0.00 H new ATOM 0 HE3 LYS A 510 11.112 5.026 -11.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 10.373 7.246 -11.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 9.447 6.640 -10.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 10.661 7.790 -10.170 1.00 0.00 H new ATOM 1022 N MET A 511 11.638 4.272 -4.469 1.00 0.00 N ATOM 1023 CA MET A 511 11.346 3.885 -3.094 1.00 0.00 C ATOM 1024 C MET A 511 10.194 2.886 -3.042 1.00 0.00 C ATOM 1025 O MET A 511 9.086 3.178 -3.491 1.00 0.00 O ATOM 1026 CB MET A 511 11.004 5.118 -2.256 1.00 0.00 C ATOM 1027 CG MET A 511 9.976 6.031 -2.906 1.00 0.00 C ATOM 1028 SD MET A 511 9.381 7.314 -1.787 1.00 0.00 S ATOM 1029 CE MET A 511 10.839 8.346 -1.650 1.00 0.00 C ATOM 0 H MET A 511 11.085 5.057 -4.813 1.00 0.00 H new ATOM 0 HA MET A 511 12.235 3.409 -2.681 1.00 0.00 H new ATOM 0 HB2 MET A 511 10.628 4.794 -1.286 1.00 0.00 H new ATOM 0 HB3 MET A 511 11.916 5.686 -2.071 1.00 0.00 H new ATOM 0 HG2 MET A 511 10.416 6.498 -3.787 1.00 0.00 H new ATOM 0 HG3 MET A 511 9.131 5.434 -3.250 1.00 0.00 H new ATOM 0 HE1 MET A 511 10.590 9.257 -1.106 1.00 0.00 H new ATOM 0 HE2 MET A 511 11.619 7.805 -1.114 1.00 0.00 H new ATOM 0 HE3 MET A 511 11.197 8.605 -2.647 1.00 0.00 H new ATOM 1039 N HIS A 512 10.465 1.707 -2.493 1.00 0.00 N ATOM 1040 CA HIS A 512 9.451 0.664 -2.382 1.00 0.00 C ATOM 1041 C HIS A 512 9.293 0.212 -0.934 1.00 0.00 C ATOM 1042 O HIS A 512 10.183 0.418 -0.110 1.00 0.00 O ATOM 1043 CB HIS A 512 9.819 -0.530 -3.265 1.00 0.00 C ATOM 1044 CG HIS A 512 9.682 -0.255 -4.730 1.00 0.00 C ATOM 1045 ND1 HIS A 512 10.720 0.207 -5.512 1.00 0.00 N ATOM 1046 CD2 HIS A 512 8.617 -0.382 -5.559 1.00 0.00 C ATOM 1047 CE1 HIS A 512 10.301 0.355 -6.756 1.00 0.00 C ATOM 1048 NE2 HIS A 512 9.029 0.004 -6.811 1.00 0.00 N ATOM 0 H HIS A 512 11.378 1.449 -2.118 1.00 0.00 H new ATOM 0 HA HIS A 512 8.501 1.077 -2.720 1.00 0.00 H new ATOM 0 HB2 HIS A 512 10.847 -0.825 -3.053 1.00 0.00 H new ATOM 0 HB3 HIS A 512 9.184 -1.376 -3.001 1.00 0.00 H new ATOM 0 HD2 HIS A 512 7.629 -0.723 -5.286 1.00 0.00 H new ATOM 0 HE1 HIS A 512 10.897 0.704 -7.586 1.00 0.00 H new ATOM 0 HE2 HIS A 512 8.447 0.017 -7.648 1.00 0.00 H new ATOM 1057 N PHE A 513 8.154 -0.405 -0.632 1.00 0.00 N ATOM 1058 CA PHE A 513 7.881 -0.885 0.718 1.00 0.00 C ATOM 1059 C PHE A 513 7.884 -2.410 0.767 1.00 0.00 C ATOM 1060 O PHE A 513 7.300 -3.068 -0.094 1.00 0.00 O ATOM 1061 CB PHE A 513 6.535 -0.349 1.208 1.00 0.00 C ATOM 1062 CG PHE A 513 6.483 1.149 1.301 1.00 0.00 C ATOM 1063 CD1 PHE A 513 6.854 1.798 2.468 1.00 0.00 C ATOM 1064 CD2 PHE A 513 6.066 1.908 0.221 1.00 0.00 C ATOM 1065 CE1 PHE A 513 6.808 3.175 2.557 1.00 0.00 C ATOM 1066 CE2 PHE A 513 6.017 3.288 0.303 1.00 0.00 C ATOM 1067 CZ PHE A 513 6.389 3.922 1.472 1.00 0.00 C ATOM 0 H PHE A 513 7.407 -0.584 -1.303 1.00 0.00 H new ATOM 0 HA PHE A 513 8.671 -0.519 1.373 1.00 0.00 H new ATOM 0 HB2 PHE A 513 5.750 -0.690 0.533 1.00 0.00 H new ATOM 0 HB3 PHE A 513 6.319 -0.773 2.189 1.00 0.00 H new ATOM 0 HD1 PHE A 513 7.183 1.219 3.318 1.00 0.00 H new ATOM 0 HD2 PHE A 513 5.776 1.417 -0.696 1.00 0.00 H new ATOM 0 HE1 PHE A 513 7.099 3.668 3.473 1.00 0.00 H new ATOM 0 HE2 PHE A 513 5.688 3.869 -0.546 1.00 0.00 H new ATOM 0 HZ PHE A 513 6.353 4.999 1.538 1.00 0.00 H new ATOM 1077 N SER A 514 8.543 -2.961 1.780 1.00 0.00 N ATOM 1078 CA SER A 514 8.621 -4.409 1.942 1.00 0.00 C ATOM 1079 C SER A 514 8.465 -4.800 3.408 1.00 0.00 C ATOM 1080 O SER A 514 9.047 -4.174 4.294 1.00 0.00 O ATOM 1081 CB SER A 514 9.954 -4.932 1.403 1.00 0.00 C ATOM 1082 OG SER A 514 9.982 -6.349 1.399 1.00 0.00 O ATOM 0 H SER A 514 9.030 -2.428 2.501 1.00 0.00 H new ATOM 0 HA SER A 514 7.806 -4.858 1.375 1.00 0.00 H new ATOM 0 HB2 SER A 514 10.112 -4.559 0.391 1.00 0.00 H new ATOM 0 HB3 SER A 514 10.772 -4.551 2.014 1.00 0.00 H new ATOM 0 HG SER A 514 10.843 -6.658 1.049 1.00 0.00 H new ATOM 1088 N LEU A 515 7.673 -5.839 3.657 1.00 0.00 N ATOM 1089 CA LEU A 515 7.439 -6.313 5.017 1.00 0.00 C ATOM 1090 C LEU A 515 8.010 -7.713 5.212 1.00 0.00 C ATOM 1091 O LEU A 515 7.976 -8.542 4.302 1.00 0.00 O ATOM 1092 CB LEU A 515 5.941 -6.310 5.331 1.00 0.00 C ATOM 1093 CG LEU A 515 5.427 -5.044 6.021 1.00 0.00 C ATOM 1094 CD1 LEU A 515 4.722 -4.140 5.021 1.00 0.00 C ATOM 1095 CD2 LEU A 515 4.493 -5.403 7.167 1.00 0.00 C ATOM 0 H LEU A 515 7.183 -6.368 2.936 1.00 0.00 H new ATOM 0 HA LEU A 515 7.947 -5.635 5.703 1.00 0.00 H new ATOM 0 HB2 LEU A 515 5.390 -6.448 4.401 1.00 0.00 H new ATOM 0 HB3 LEU A 515 5.716 -7.168 5.965 1.00 0.00 H new ATOM 0 HG LEU A 515 6.281 -4.504 6.430 1.00 0.00 H new ATOM 0 HD11 LEU A 515 4.363 -3.245 5.529 1.00 0.00 H new ATOM 0 HD12 LEU A 515 5.420 -3.855 4.233 1.00 0.00 H new ATOM 0 HD13 LEU A 515 3.877 -4.671 4.583 1.00 0.00 H new ATOM 0 HD21 LEU A 515 4.137 -4.491 7.646 1.00 0.00 H new ATOM 0 HD22 LEU A 515 3.643 -5.965 6.781 1.00 0.00 H new ATOM 0 HD23 LEU A 515 5.029 -6.011 7.896 1.00 0.00 H new ATOM 1107 N LYS A 516 8.532 -7.972 6.407 1.00 0.00 N ATOM 1108 CA LYS A 516 9.106 -9.274 6.725 1.00 0.00 C ATOM 1109 C LYS A 516 8.454 -9.865 7.970 1.00 0.00 C ATOM 1110 O LYS A 516 8.854 -9.567 9.095 1.00 0.00 O ATOM 1111 CB LYS A 516 10.617 -9.149 6.939 1.00 0.00 C ATOM 1112 CG LYS A 516 11.352 -8.552 5.749 1.00 0.00 C ATOM 1113 CD LYS A 516 11.252 -9.446 4.523 1.00 0.00 C ATOM 1114 CE LYS A 516 12.613 -9.986 4.112 1.00 0.00 C ATOM 1115 NZ LYS A 516 12.681 -10.269 2.652 1.00 0.00 N ATOM 0 H LYS A 516 8.569 -7.297 7.171 1.00 0.00 H new ATOM 0 HA LYS A 516 8.918 -9.942 5.885 1.00 0.00 H new ATOM 0 HB2 LYS A 516 10.801 -8.530 7.817 1.00 0.00 H new ATOM 0 HB3 LYS A 516 11.028 -10.136 7.152 1.00 0.00 H new ATOM 0 HG2 LYS A 516 10.937 -7.571 5.519 1.00 0.00 H new ATOM 0 HG3 LYS A 516 12.401 -8.402 6.006 1.00 0.00 H new ATOM 0 HD2 LYS A 516 10.578 -10.277 4.732 1.00 0.00 H new ATOM 0 HD3 LYS A 516 10.818 -8.884 3.696 1.00 0.00 H new ATOM 0 HE2 LYS A 516 13.385 -9.264 4.378 1.00 0.00 H new ATOM 0 HE3 LYS A 516 12.824 -10.899 4.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 13.625 -10.635 2.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 11.961 -10.977 2.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 12.505 -9.393 2.120 1.00 0.00 H new ATOM 1129 N GLU A 517 7.444 -10.703 7.759 1.00 0.00 N ATOM 1130 CA GLU A 517 6.734 -11.337 8.865 1.00 0.00 C ATOM 1131 C GLU A 517 7.510 -12.539 9.393 1.00 0.00 C ATOM 1132 O GLU A 517 8.653 -12.751 8.936 1.00 0.00 O ATOM 1133 CB GLU A 517 5.338 -11.773 8.418 1.00 0.00 C ATOM 1134 CG GLU A 517 4.438 -10.615 8.016 1.00 0.00 C ATOM 1135 CD GLU A 517 3.035 -11.063 7.652 1.00 0.00 C ATOM 1136 OE1 GLU A 517 2.822 -12.284 7.496 1.00 0.00 O ATOM 1137 OE2 GLU A 517 2.149 -10.192 7.526 1.00 0.00 O ATOM 1138 OXT GLU A 517 6.969 -13.258 10.259 1.00 0.00 O ATOM 0 H GLU A 517 7.099 -10.959 6.834 1.00 0.00 H new ATOM 0 HA GLU A 517 6.640 -10.607 9.669 1.00 0.00 H new ATOM 0 HB2 GLU A 517 5.433 -12.458 7.575 1.00 0.00 H new ATOM 0 HB3 GLU A 517 4.863 -12.327 9.227 1.00 0.00 H new ATOM 0 HG2 GLU A 517 4.385 -9.899 8.837 1.00 0.00 H new ATOM 0 HG3 GLU A 517 4.880 -10.094 7.167 1.00 0.00 H new