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 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 43:sc= -0.762 USER MOD Single : A 466 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 468 MET CE :methyl -145:sc= -5.84! (180deg=-9.96!) 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+ -140:sc= -1.3 (180deg=-3.64!) USER MOD Single : A 475 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0749) USER MOD Single : A 476 LYS NZ :NH3+ 165:sc= -0.0144 (180deg=-0.18) USER MOD Single : A 478 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 479 THR OG1 : rot -51:sc= 0.539 USER MOD Single : A 480 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 481 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 482 THR OG1 : rot 180:sc= -0.0867 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= -0.137 X(o=-0.14,f=-0.17) USER MOD Single : A 489 THR OG1 : rot 72:sc= 1.09 USER MOD Single : A 491 ASN : amide:sc= -0.0481 K(o=-0.048,f=-1.2) USER MOD Single : A 495 GLN : amide:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 498 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 501 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 505 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0129) USER MOD Single : A 506 MET CE :methyl 163:sc= -0.0151 (180deg=-0.285) USER MOD Single : A 508 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 511 MET CE :methyl -178:sc= -2.73 (180deg=-2.77) USER MOD Single : A 512 HIS : no HD1:sc= -0.604 X(o=-0.6,f=-0.56) 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 -10.815 -0.665 3.168 1.00 0.00 N ATOM 46 CA VAL A 454 -9.373 -0.881 3.161 1.00 0.00 C ATOM 47 C VAL A 454 -8.832 -1.008 4.581 1.00 0.00 C ATOM 48 O VAL A 454 -9.175 -0.217 5.459 1.00 0.00 O ATOM 49 CB VAL A 454 -8.636 0.266 2.442 1.00 0.00 C ATOM 50 CG1 VAL A 454 -7.154 -0.052 2.306 1.00 0.00 C ATOM 51 CG2 VAL A 454 -9.258 0.532 1.079 1.00 0.00 C ATOM 0 HA VAL A 454 -9.194 -1.811 2.621 1.00 0.00 H new ATOM 0 HB VAL A 454 -8.737 1.169 3.044 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -6.651 0.769 1.796 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -6.718 -0.186 3.296 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -7.030 -0.968 1.728 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -8.724 1.345 0.588 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -9.192 -0.368 0.467 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -10.305 0.809 1.205 1.00 0.00 H new ATOM 61 N THR A 455 -7.986 -2.009 4.800 1.00 0.00 N ATOM 62 CA THR A 455 -7.399 -2.240 6.115 1.00 0.00 C ATOM 63 C THR A 455 -5.890 -2.440 6.012 1.00 0.00 C ATOM 64 O THR A 455 -5.378 -2.862 4.975 1.00 0.00 O ATOM 65 CB THR A 455 -8.044 -3.458 6.778 1.00 0.00 C ATOM 66 OG1 THR A 455 -7.584 -3.607 8.109 1.00 0.00 O ATOM 67 CG2 THR A 455 -7.768 -4.755 6.048 1.00 0.00 C ATOM 0 H THR A 455 -7.692 -2.673 4.084 1.00 0.00 H new ATOM 0 HA THR A 455 -7.588 -1.359 6.729 1.00 0.00 H new ATOM 0 HB THR A 455 -9.117 -3.267 6.750 1.00 0.00 H new ATOM 0 HG1 THR A 455 -8.009 -4.390 8.516 1.00 0.00 H new ATOM 0 HG21 THR A 455 -8.255 -5.578 6.572 1.00 0.00 H new ATOM 0 HG22 THR A 455 -8.157 -4.691 5.032 1.00 0.00 H new ATOM 0 HG23 THR A 455 -6.693 -4.932 6.014 1.00 0.00 H new ATOM 75 N GLU A 456 -5.184 -2.133 7.095 1.00 0.00 N ATOM 76 CA GLU A 456 -3.733 -2.278 7.129 1.00 0.00 C ATOM 77 C GLU A 456 -3.327 -3.740 6.978 1.00 0.00 C ATOM 78 O GLU A 456 -2.302 -4.051 6.371 1.00 0.00 O ATOM 79 CB GLU A 456 -3.175 -1.715 8.438 1.00 0.00 C ATOM 80 CG GLU A 456 -1.656 -1.695 8.494 1.00 0.00 C ATOM 81 CD GLU A 456 -1.126 -1.229 9.837 1.00 0.00 C ATOM 82 OE1 GLU A 456 -1.947 -0.963 10.741 1.00 0.00 O ATOM 83 OE2 GLU A 456 0.110 -1.130 9.985 1.00 0.00 O ATOM 0 H GLU A 456 -5.593 -1.782 7.961 1.00 0.00 H new ATOM 0 HA GLU A 456 -3.318 -1.717 6.292 1.00 0.00 H new ATOM 0 HB2 GLU A 456 -3.549 -0.700 8.576 1.00 0.00 H new ATOM 0 HB3 GLU A 456 -3.553 -2.309 9.270 1.00 0.00 H new ATOM 0 HG2 GLU A 456 -1.276 -2.695 8.285 1.00 0.00 H new ATOM 0 HG3 GLU A 456 -1.276 -1.039 7.711 1.00 0.00 H new ATOM 90 N ASP A 457 -4.136 -4.635 7.536 1.00 0.00 N ATOM 91 CA ASP A 457 -3.860 -6.065 7.465 1.00 0.00 C ATOM 92 C ASP A 457 -3.777 -6.535 6.015 1.00 0.00 C ATOM 93 O ASP A 457 -2.916 -7.340 5.662 1.00 0.00 O ATOM 94 CB ASP A 457 -4.943 -6.852 8.205 1.00 0.00 C ATOM 95 CG ASP A 457 -4.928 -6.593 9.700 1.00 0.00 C ATOM 96 OD1 ASP A 457 -3.920 -6.049 10.198 1.00 0.00 O ATOM 97 OD2 ASP A 457 -5.924 -6.935 10.371 1.00 0.00 O ATOM 0 H ASP A 457 -4.988 -4.395 8.042 1.00 0.00 H new ATOM 0 HA ASP A 457 -2.897 -6.246 7.942 1.00 0.00 H new ATOM 0 HB2 ASP A 457 -5.920 -6.586 7.803 1.00 0.00 H new ATOM 0 HB3 ASP A 457 -4.803 -7.917 8.022 1.00 0.00 H new ATOM 102 N ALA A 458 -4.677 -6.026 5.181 1.00 0.00 N ATOM 103 CA ALA A 458 -4.704 -6.395 3.770 1.00 0.00 C ATOM 104 C ALA A 458 -3.438 -5.933 3.058 1.00 0.00 C ATOM 105 O ALA A 458 -2.860 -6.670 2.259 1.00 0.00 O ATOM 106 CB ALA A 458 -5.935 -5.808 3.096 1.00 0.00 C ATOM 0 H ALA A 458 -5.397 -5.358 5.457 1.00 0.00 H new ATOM 0 HA ALA A 458 -4.750 -7.482 3.704 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -5.943 -6.091 2.043 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -6.833 -6.191 3.581 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -5.912 -4.721 3.180 1.00 0.00 H new ATOM 112 N VAL A 459 -3.012 -4.709 3.352 1.00 0.00 N ATOM 113 CA VAL A 459 -1.814 -4.148 2.739 1.00 0.00 C ATOM 114 C VAL A 459 -0.560 -4.871 3.221 1.00 0.00 C ATOM 115 O VAL A 459 0.358 -5.129 2.443 1.00 0.00 O ATOM 116 CB VAL A 459 -1.678 -2.645 3.046 1.00 0.00 C ATOM 117 CG1 VAL A 459 -0.509 -2.044 2.279 1.00 0.00 C ATOM 118 CG2 VAL A 459 -2.971 -1.914 2.720 1.00 0.00 C ATOM 0 H VAL A 459 -3.479 -4.086 4.011 1.00 0.00 H new ATOM 0 HA VAL A 459 -1.916 -4.283 1.662 1.00 0.00 H new ATOM 0 HB VAL A 459 -1.480 -2.529 4.112 1.00 0.00 H new ATOM 0 HG11 VAL A 459 -0.430 -0.982 2.510 1.00 0.00 H new ATOM 0 HG12 VAL A 459 0.413 -2.548 2.568 1.00 0.00 H new ATOM 0 HG13 VAL A 459 -0.672 -2.172 1.209 1.00 0.00 H new ATOM 0 HG21 VAL A 459 -2.856 -0.853 2.943 1.00 0.00 H new ATOM 0 HG22 VAL A 459 -3.203 -2.039 1.662 1.00 0.00 H new ATOM 0 HG23 VAL A 459 -3.783 -2.325 3.320 1.00 0.00 H new ATOM 128 N ARG A 460 -0.528 -5.193 4.510 1.00 0.00 N ATOM 129 CA ARG A 460 0.614 -5.885 5.098 1.00 0.00 C ATOM 130 C ARG A 460 0.866 -7.218 4.401 1.00 0.00 C ATOM 131 O ARG A 460 2.011 -7.580 4.128 1.00 0.00 O ATOM 132 CB ARG A 460 0.382 -6.114 6.593 1.00 0.00 C ATOM 133 CG ARG A 460 1.576 -6.727 7.306 1.00 0.00 C ATOM 134 CD ARG A 460 1.249 -7.060 8.753 1.00 0.00 C ATOM 135 NE ARG A 460 0.846 -5.877 9.510 1.00 0.00 N ATOM 136 CZ ARG A 460 0.185 -5.926 10.664 1.00 0.00 C ATOM 137 NH1 ARG A 460 -0.148 -7.095 11.198 1.00 0.00 N ATOM 138 NH2 ARG A 460 -0.143 -4.802 11.287 1.00 0.00 N ATOM 0 H ARG A 460 -1.280 -4.986 5.168 1.00 0.00 H new ATOM 0 HA ARG A 460 1.494 -5.256 4.964 1.00 0.00 H new ATOM 0 HB2 ARG A 460 0.137 -5.162 7.064 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -0.482 -6.766 6.723 1.00 0.00 H new ATOM 0 HG2 ARG A 460 1.887 -7.632 6.785 1.00 0.00 H new ATOM 0 HG3 ARG A 460 2.417 -6.034 7.272 1.00 0.00 H new ATOM 0 HD2 ARG A 460 0.449 -7.799 8.783 1.00 0.00 H new ATOM 0 HD3 ARG A 460 2.120 -7.514 9.226 1.00 0.00 H new ATOM 0 HE ARG A 460 1.085 -4.960 9.132 1.00 0.00 H new ATOM 0 HH11 ARG A 460 0.103 -7.962 10.724 1.00 0.00 H new ATOM 0 HH12 ARG A 460 -0.655 -7.126 12.083 1.00 0.00 H new ATOM 0 HH21 ARG A 460 0.111 -3.901 10.882 1.00 0.00 H new ATOM 0 HH22 ARG A 460 -0.650 -4.838 12.172 1.00 0.00 H new ATOM 152 N ARG A 461 -0.209 -7.945 4.116 1.00 0.00 N ATOM 153 CA ARG A 461 -0.102 -9.239 3.452 1.00 0.00 C ATOM 154 C ARG A 461 0.510 -9.092 2.063 1.00 0.00 C ATOM 155 O ARG A 461 1.329 -9.911 1.646 1.00 0.00 O ATOM 156 CB ARG A 461 -1.479 -9.898 3.348 1.00 0.00 C ATOM 157 CG ARG A 461 -2.058 -10.312 4.691 1.00 0.00 C ATOM 158 CD ARG A 461 -3.389 -11.029 4.526 1.00 0.00 C ATOM 159 NE ARG A 461 -3.227 -12.355 3.936 1.00 0.00 N ATOM 160 CZ ARG A 461 -2.720 -13.400 4.587 1.00 0.00 C ATOM 161 NH1 ARG A 461 -2.325 -13.276 5.848 1.00 0.00 N ATOM 162 NH2 ARG A 461 -2.608 -14.571 3.975 1.00 0.00 N ATOM 0 H ARG A 461 -1.164 -7.660 4.334 1.00 0.00 H new ATOM 0 HA ARG A 461 0.553 -9.872 4.051 1.00 0.00 H new ATOM 0 HB2 ARG A 461 -2.168 -9.207 2.862 1.00 0.00 H new ATOM 0 HB3 ARG A 461 -1.405 -10.777 2.707 1.00 0.00 H new ATOM 0 HG2 ARG A 461 -1.353 -10.964 5.207 1.00 0.00 H new ATOM 0 HG3 ARG A 461 -2.193 -9.430 5.318 1.00 0.00 H new ATOM 0 HD2 ARG A 461 -3.874 -11.121 5.498 1.00 0.00 H new ATOM 0 HD3 ARG A 461 -4.048 -10.430 3.897 1.00 0.00 H new ATOM 0 HE ARG A 461 -3.520 -12.489 2.968 1.00 0.00 H new ATOM 0 HH11 ARG A 461 -2.409 -12.377 6.323 1.00 0.00 H new ATOM 0 HH12 ARG A 461 -1.937 -14.080 6.342 1.00 0.00 H new ATOM 0 HH21 ARG A 461 -2.910 -14.671 3.006 1.00 0.00 H new ATOM 0 HH22 ARG A 461 -2.220 -15.372 4.473 1.00 0.00 H new ATOM 176 N TYR A 462 0.106 -8.046 1.350 1.00 0.00 N ATOM 177 CA TYR A 462 0.615 -7.795 0.006 1.00 0.00 C ATOM 178 C TYR A 462 2.096 -7.431 0.041 1.00 0.00 C ATOM 179 O TYR A 462 2.887 -7.929 -0.760 1.00 0.00 O ATOM 180 CB TYR A 462 -0.183 -6.674 -0.662 1.00 0.00 C ATOM 181 CG TYR A 462 -1.657 -6.979 -0.802 1.00 0.00 C ATOM 182 CD1 TYR A 462 -2.089 -8.216 -1.264 1.00 0.00 C ATOM 183 CD2 TYR A 462 -2.617 -6.030 -0.473 1.00 0.00 C ATOM 184 CE1 TYR A 462 -3.435 -8.499 -1.394 1.00 0.00 C ATOM 185 CE2 TYR A 462 -3.965 -6.305 -0.600 1.00 0.00 C ATOM 186 CZ TYR A 462 -4.369 -7.540 -1.061 1.00 0.00 C ATOM 187 OH TYR A 462 -5.710 -7.818 -1.189 1.00 0.00 O ATOM 0 H TYR A 462 -0.572 -7.359 1.680 1.00 0.00 H new ATOM 0 HA TYR A 462 0.500 -8.710 -0.575 1.00 0.00 H new ATOM 0 HB2 TYR A 462 -0.064 -5.759 -0.082 1.00 0.00 H new ATOM 0 HB3 TYR A 462 0.235 -6.481 -1.650 1.00 0.00 H new ATOM 0 HD1 TYR A 462 -1.360 -8.969 -1.526 1.00 0.00 H new ATOM 0 HD2 TYR A 462 -2.304 -5.061 -0.112 1.00 0.00 H new ATOM 0 HE1 TYR A 462 -3.754 -9.466 -1.754 1.00 0.00 H new ATOM 0 HE2 TYR A 462 -4.699 -5.556 -0.339 1.00 0.00 H new ATOM 0 HH TYR A 462 -6.234 -7.037 -0.912 1.00 0.00 H new ATOM 197 N LEU A 463 2.464 -6.558 0.973 1.00 0.00 N ATOM 198 CA LEU A 463 3.850 -6.126 1.110 1.00 0.00 C ATOM 199 C LEU A 463 4.739 -7.279 1.564 1.00 0.00 C ATOM 200 O LEU A 463 5.891 -7.389 1.145 1.00 0.00 O ATOM 201 CB LEU A 463 3.948 -4.968 2.105 1.00 0.00 C ATOM 202 CG LEU A 463 3.248 -3.681 1.670 1.00 0.00 C ATOM 203 CD1 LEU A 463 2.979 -2.787 2.870 1.00 0.00 C ATOM 204 CD2 LEU A 463 4.083 -2.947 0.632 1.00 0.00 C ATOM 0 H LEU A 463 1.822 -6.136 1.644 1.00 0.00 H new ATOM 0 HA LEU A 463 4.197 -5.788 0.133 1.00 0.00 H new ATOM 0 HB2 LEU A 463 3.525 -5.290 3.057 1.00 0.00 H new ATOM 0 HB3 LEU A 463 5.001 -4.749 2.282 1.00 0.00 H new ATOM 0 HG LEU A 463 2.291 -3.944 1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 463 2.480 -1.876 2.540 1.00 0.00 H new ATOM 0 HD12 LEU A 463 2.341 -3.313 3.580 1.00 0.00 H new ATOM 0 HD13 LEU A 463 3.923 -2.530 3.351 1.00 0.00 H new ATOM 0 HD21 LEU A 463 3.570 -2.033 0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 463 5.054 -2.696 1.058 1.00 0.00 H new ATOM 0 HD23 LEU A 463 4.224 -3.586 -0.240 1.00 0.00 H new ATOM 216 N THR A 464 4.197 -8.135 2.424 1.00 0.00 N ATOM 217 CA THR A 464 4.941 -9.279 2.934 1.00 0.00 C ATOM 218 C THR A 464 5.285 -10.251 1.811 1.00 0.00 C ATOM 219 O THR A 464 6.324 -10.910 1.843 1.00 0.00 O ATOM 220 CB THR A 464 4.131 -9.995 4.015 1.00 0.00 C ATOM 221 OG1 THR A 464 2.749 -9.972 3.704 1.00 0.00 O ATOM 222 CG2 THR A 464 4.302 -9.391 5.392 1.00 0.00 C ATOM 0 H THR A 464 3.245 -8.057 2.782 1.00 0.00 H new ATOM 0 HA THR A 464 5.872 -8.913 3.368 1.00 0.00 H new ATOM 0 HB THR A 464 4.515 -11.015 4.034 1.00 0.00 H new ATOM 0 HG1 THR A 464 2.624 -10.172 2.753 1.00 0.00 H new ATOM 0 HG21 THR A 464 3.700 -9.947 6.111 1.00 0.00 H new ATOM 0 HG22 THR A 464 5.351 -9.440 5.683 1.00 0.00 H new ATOM 0 HG23 THR A 464 3.978 -8.350 5.376 1.00 0.00 H new ATOM 230 N ARG A 465 4.406 -10.335 0.818 1.00 0.00 N ATOM 231 CA ARG A 465 4.618 -11.228 -0.316 1.00 0.00 C ATOM 232 C ARG A 465 5.621 -10.635 -1.297 1.00 0.00 C ATOM 233 O ARG A 465 6.610 -11.274 -1.656 1.00 0.00 O ATOM 234 CB ARG A 465 3.293 -11.508 -1.028 1.00 0.00 C ATOM 235 CG ARG A 465 2.326 -12.344 -0.206 1.00 0.00 C ATOM 236 CD ARG A 465 1.061 -12.661 -0.988 1.00 0.00 C ATOM 237 NE ARG A 465 0.044 -13.293 -0.151 1.00 0.00 N ATOM 238 CZ ARG A 465 -1.216 -13.487 -0.534 1.00 0.00 C ATOM 239 NH1 ARG A 465 -1.618 -13.100 -1.739 1.00 0.00 N ATOM 240 NH2 ARG A 465 -2.076 -14.070 0.289 1.00 0.00 N ATOM 0 H ARG A 465 3.541 -9.796 0.775 1.00 0.00 H new ATOM 0 HA ARG A 465 5.022 -12.166 0.065 1.00 0.00 H new ATOM 0 HB2 ARG A 465 2.818 -10.560 -1.279 1.00 0.00 H new ATOM 0 HB3 ARG A 465 3.496 -12.022 -1.968 1.00 0.00 H new ATOM 0 HG2 ARG A 465 2.811 -13.272 0.095 1.00 0.00 H new ATOM 0 HG3 ARG A 465 2.066 -11.809 0.707 1.00 0.00 H new ATOM 0 HD2 ARG A 465 0.659 -11.742 -1.415 1.00 0.00 H new ATOM 0 HD3 ARG A 465 1.305 -13.320 -1.821 1.00 0.00 H new ATOM 0 HE ARG A 465 0.315 -13.604 0.782 1.00 0.00 H new ATOM 0 HH11 ARG A 465 -0.960 -12.652 -2.376 1.00 0.00 H new ATOM 0 HH12 ARG A 465 -2.585 -13.251 -2.027 1.00 0.00 H new ATOM 0 HH21 ARG A 465 -1.772 -14.370 1.215 1.00 0.00 H new ATOM 0 HH22 ARG A 465 -3.042 -14.219 -0.004 1.00 0.00 H new ATOM 254 N LYS A 466 5.357 -9.409 -1.725 1.00 0.00 N ATOM 255 CA LYS A 466 6.233 -8.720 -2.666 1.00 0.00 C ATOM 256 C LYS A 466 6.261 -7.219 -2.388 1.00 0.00 C ATOM 257 O LYS A 466 5.264 -6.643 -1.952 1.00 0.00 O ATOM 258 CB LYS A 466 5.774 -8.976 -4.103 1.00 0.00 C ATOM 259 CG LYS A 466 4.274 -8.833 -4.297 1.00 0.00 C ATOM 260 CD LYS A 466 3.821 -9.448 -5.611 1.00 0.00 C ATOM 261 CE LYS A 466 2.328 -9.260 -5.829 1.00 0.00 C ATOM 262 NZ LYS A 466 2.036 -8.082 -6.692 1.00 0.00 N ATOM 0 H LYS A 466 4.542 -8.869 -1.436 1.00 0.00 H new ATOM 0 HA LYS A 466 7.242 -9.113 -2.538 1.00 0.00 H new ATOM 0 HB2 LYS A 466 6.286 -8.281 -4.768 1.00 0.00 H new ATOM 0 HB3 LYS A 466 6.076 -9.981 -4.398 1.00 0.00 H new ATOM 0 HG2 LYS A 466 3.752 -9.314 -3.470 1.00 0.00 H new ATOM 0 HG3 LYS A 466 4.002 -7.778 -4.275 1.00 0.00 H new ATOM 0 HD2 LYS A 466 4.370 -8.993 -6.435 1.00 0.00 H new ATOM 0 HD3 LYS A 466 4.060 -10.512 -5.618 1.00 0.00 H new ATOM 0 HE2 LYS A 466 1.912 -10.157 -6.287 1.00 0.00 H new ATOM 0 HE3 LYS A 466 1.833 -9.136 -4.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 1.008 -7.989 -6.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 2.410 -7.222 -6.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 2.486 -8.212 -7.620 1.00 0.00 H new ATOM 276 N PRO A 467 7.407 -6.563 -2.638 1.00 0.00 N ATOM 277 CA PRO A 467 7.558 -5.123 -2.412 1.00 0.00 C ATOM 278 C PRO A 467 6.800 -4.294 -3.444 1.00 0.00 C ATOM 279 O PRO A 467 6.880 -4.554 -4.644 1.00 0.00 O ATOM 280 CB PRO A 467 9.064 -4.900 -2.550 1.00 0.00 C ATOM 281 CG PRO A 467 9.525 -5.989 -3.454 1.00 0.00 C ATOM 282 CD PRO A 467 8.646 -7.174 -3.160 1.00 0.00 C ATOM 0 HA PRO A 467 7.154 -4.816 -1.447 1.00 0.00 H new ATOM 0 HB2 PRO A 467 9.282 -3.918 -2.969 1.00 0.00 H new ATOM 0 HB3 PRO A 467 9.562 -4.951 -1.582 1.00 0.00 H new ATOM 0 HG2 PRO A 467 9.440 -5.690 -4.499 1.00 0.00 H new ATOM 0 HG3 PRO A 467 10.573 -6.227 -3.275 1.00 0.00 H new ATOM 0 HD2 PRO A 467 8.456 -7.765 -4.056 1.00 0.00 H new ATOM 0 HD3 PRO A 467 9.103 -7.841 -2.429 1.00 0.00 H new ATOM 290 N MET A 468 6.065 -3.293 -2.969 1.00 0.00 N ATOM 291 CA MET A 468 5.295 -2.426 -3.852 1.00 0.00 C ATOM 292 C MET A 468 5.435 -0.965 -3.436 1.00 0.00 C ATOM 293 O MET A 468 5.614 -0.658 -2.258 1.00 0.00 O ATOM 294 CB MET A 468 3.820 -2.832 -3.842 1.00 0.00 C ATOM 295 CG MET A 468 3.275 -3.118 -2.452 1.00 0.00 C ATOM 296 SD MET A 468 1.691 -3.979 -2.491 1.00 0.00 S ATOM 297 CE MET A 468 0.728 -2.869 -3.514 1.00 0.00 C ATOM 0 H MET A 468 5.987 -3.063 -1.978 1.00 0.00 H new ATOM 0 HA MET A 468 5.688 -2.537 -4.863 1.00 0.00 H new ATOM 0 HB2 MET A 468 3.230 -2.037 -4.297 1.00 0.00 H new ATOM 0 HB3 MET A 468 3.692 -3.719 -4.463 1.00 0.00 H new ATOM 0 HG2 MET A 468 3.997 -3.719 -1.899 1.00 0.00 H new ATOM 0 HG3 MET A 468 3.161 -2.179 -1.910 1.00 0.00 H new ATOM 0 HE1 MET A 468 -0.305 -2.859 -3.167 1.00 0.00 H new ATOM 0 HE2 MET A 468 1.143 -1.863 -3.449 1.00 0.00 H new ATOM 0 HE3 MET A 468 0.760 -3.209 -4.549 1.00 0.00 H new ATOM 307 N THR A 469 5.353 -0.066 -4.413 1.00 0.00 N ATOM 308 CA THR A 469 5.471 1.363 -4.148 1.00 0.00 C ATOM 309 C THR A 469 4.131 1.949 -3.713 1.00 0.00 C ATOM 310 O THR A 469 3.094 1.294 -3.813 1.00 0.00 O ATOM 311 CB THR A 469 5.981 2.093 -5.392 1.00 0.00 C ATOM 312 OG1 THR A 469 4.964 2.182 -6.374 1.00 0.00 O ATOM 313 CG2 THR A 469 7.179 1.423 -6.030 1.00 0.00 C ATOM 0 H THR A 469 5.205 -0.302 -5.394 1.00 0.00 H new ATOM 0 HA THR A 469 6.186 1.499 -3.337 1.00 0.00 H new ATOM 0 HB THR A 469 6.281 3.082 -5.044 1.00 0.00 H new ATOM 0 HG1 THR A 469 5.309 2.653 -7.161 1.00 0.00 H new ATOM 0 HG21 THR A 469 7.490 1.991 -6.907 1.00 0.00 H new ATOM 0 HG22 THR A 469 7.999 1.384 -5.313 1.00 0.00 H new ATOM 0 HG23 THR A 469 6.912 0.410 -6.331 1.00 0.00 H new ATOM 321 N THR A 470 4.163 3.187 -3.229 1.00 0.00 N ATOM 322 CA THR A 470 2.952 3.863 -2.777 1.00 0.00 C ATOM 323 C THR A 470 1.920 3.947 -3.897 1.00 0.00 C ATOM 324 O THR A 470 0.738 3.676 -3.687 1.00 0.00 O ATOM 325 CB THR A 470 3.287 5.268 -2.274 1.00 0.00 C ATOM 326 OG1 THR A 470 3.997 5.998 -3.259 1.00 0.00 O ATOM 327 CG2 THR A 470 4.120 5.268 -1.010 1.00 0.00 C ATOM 0 H THR A 470 5.014 3.742 -3.140 1.00 0.00 H new ATOM 0 HA THR A 470 2.526 3.280 -1.960 1.00 0.00 H new ATOM 0 HB THR A 470 2.326 5.734 -2.056 1.00 0.00 H new ATOM 0 HG1 THR A 470 4.200 6.894 -2.919 1.00 0.00 H new ATOM 0 HG21 THR A 470 4.322 6.295 -0.707 1.00 0.00 H new ATOM 0 HG22 THR A 470 3.576 4.756 -0.216 1.00 0.00 H new ATOM 0 HG23 THR A 470 5.062 4.752 -1.195 1.00 0.00 H new ATOM 335 N LYS A 471 2.375 4.326 -5.087 1.00 0.00 N ATOM 336 CA LYS A 471 1.492 4.447 -6.241 1.00 0.00 C ATOM 337 C LYS A 471 0.798 3.122 -6.541 1.00 0.00 C ATOM 338 O LYS A 471 -0.384 3.092 -6.885 1.00 0.00 O ATOM 339 CB LYS A 471 2.280 4.911 -7.467 1.00 0.00 C ATOM 340 CG LYS A 471 2.866 6.306 -7.321 1.00 0.00 C ATOM 341 CD LYS A 471 3.611 6.732 -8.576 1.00 0.00 C ATOM 342 CE LYS A 471 2.652 7.168 -9.672 1.00 0.00 C ATOM 343 NZ LYS A 471 2.028 6.005 -10.362 1.00 0.00 N ATOM 0 H LYS A 471 3.351 4.555 -5.277 1.00 0.00 H new ATOM 0 HA LYS A 471 0.730 5.189 -6.004 1.00 0.00 H new ATOM 0 HB2 LYS A 471 3.088 4.205 -7.658 1.00 0.00 H new ATOM 0 HB3 LYS A 471 1.626 4.890 -8.338 1.00 0.00 H new ATOM 0 HG2 LYS A 471 2.067 7.017 -7.112 1.00 0.00 H new ATOM 0 HG3 LYS A 471 3.545 6.329 -6.468 1.00 0.00 H new ATOM 0 HD2 LYS A 471 4.289 7.551 -8.337 1.00 0.00 H new ATOM 0 HD3 LYS A 471 4.224 5.905 -8.935 1.00 0.00 H new ATOM 0 HE2 LYS A 471 1.872 7.796 -9.242 1.00 0.00 H new ATOM 0 HE3 LYS A 471 3.187 7.778 -10.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 1.972 6.196 -11.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 2.605 5.155 -10.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 1.071 5.851 -9.985 1.00 0.00 H new ATOM 357 N ASP A 472 1.540 2.027 -6.409 1.00 0.00 N ATOM 358 CA ASP A 472 0.995 0.699 -6.667 1.00 0.00 C ATOM 359 C ASP A 472 -0.159 0.390 -5.720 1.00 0.00 C ATOM 360 O ASP A 472 -1.144 -0.237 -6.108 1.00 0.00 O ATOM 361 CB ASP A 472 2.087 -0.362 -6.523 1.00 0.00 C ATOM 362 CG ASP A 472 3.110 -0.297 -7.640 1.00 0.00 C ATOM 363 OD1 ASP A 472 2.839 0.379 -8.655 1.00 0.00 O ATOM 364 OD2 ASP A 472 4.182 -0.922 -7.501 1.00 0.00 O ATOM 0 H ASP A 472 2.520 2.033 -6.125 1.00 0.00 H new ATOM 0 HA ASP A 472 0.616 0.683 -7.689 1.00 0.00 H new ATOM 0 HB2 ASP A 472 2.591 -0.233 -5.565 1.00 0.00 H new ATOM 0 HB3 ASP A 472 1.629 -1.351 -6.511 1.00 0.00 H new ATOM 369 N LEU A 473 -0.029 0.835 -4.475 1.00 0.00 N ATOM 370 CA LEU A 473 -1.061 0.605 -3.470 1.00 0.00 C ATOM 371 C LEU A 473 -2.379 1.251 -3.886 1.00 0.00 C ATOM 372 O LEU A 473 -3.443 0.644 -3.770 1.00 0.00 O ATOM 373 CB LEU A 473 -0.615 1.157 -2.115 1.00 0.00 C ATOM 374 CG LEU A 473 0.661 0.533 -1.548 1.00 0.00 C ATOM 375 CD1 LEU A 473 1.117 1.285 -0.307 1.00 0.00 C ATOM 376 CD2 LEU A 473 0.440 -0.939 -1.229 1.00 0.00 C ATOM 0 H LEU A 473 0.780 1.357 -4.138 1.00 0.00 H new ATOM 0 HA LEU A 473 -1.215 -0.471 -3.383 1.00 0.00 H new ATOM 0 HB2 LEU A 473 -0.464 2.232 -2.210 1.00 0.00 H new ATOM 0 HB3 LEU A 473 -1.422 1.011 -1.397 1.00 0.00 H new ATOM 0 HG LEU A 473 1.444 0.607 -2.302 1.00 0.00 H new ATOM 0 HD11 LEU A 473 2.026 0.827 0.083 1.00 0.00 H new ATOM 0 HD12 LEU A 473 1.317 2.325 -0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 473 0.336 1.243 0.452 1.00 0.00 H new ATOM 0 HD21 LEU A 473 1.359 -1.366 -0.827 1.00 0.00 H new ATOM 0 HD22 LEU A 473 -0.358 -1.036 -0.493 1.00 0.00 H new ATOM 0 HD23 LEU A 473 0.161 -1.471 -2.139 1.00 0.00 H new ATOM 388 N LEU A 474 -2.300 2.486 -4.372 1.00 0.00 N ATOM 389 CA LEU A 474 -3.488 3.213 -4.805 1.00 0.00 C ATOM 390 C LEU A 474 -4.108 2.558 -6.035 1.00 0.00 C ATOM 391 O LEU A 474 -5.329 2.433 -6.135 1.00 0.00 O ATOM 392 CB LEU A 474 -3.135 4.670 -5.112 1.00 0.00 C ATOM 393 CG LEU A 474 -2.561 5.459 -3.934 1.00 0.00 C ATOM 394 CD1 LEU A 474 -2.267 6.893 -4.345 1.00 0.00 C ATOM 395 CD2 LEU A 474 -3.521 5.427 -2.755 1.00 0.00 C ATOM 0 H LEU A 474 -1.427 3.003 -4.476 1.00 0.00 H new ATOM 0 HA LEU A 474 -4.217 3.185 -3.995 1.00 0.00 H new ATOM 0 HB2 LEU A 474 -2.413 4.689 -5.928 1.00 0.00 H new ATOM 0 HB3 LEU A 474 -4.031 5.178 -5.468 1.00 0.00 H new ATOM 0 HG LEU A 474 -1.625 4.991 -3.629 1.00 0.00 H new ATOM 0 HD11 LEU A 474 -1.859 7.439 -3.494 1.00 0.00 H new ATOM 0 HD12 LEU A 474 -1.543 6.897 -5.159 1.00 0.00 H new ATOM 0 HD13 LEU A 474 -3.188 7.373 -4.676 1.00 0.00 H new ATOM 0 HD21 LEU A 474 -3.097 5.993 -1.925 1.00 0.00 H new ATOM 0 HD22 LEU A 474 -4.473 5.870 -3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 474 -3.682 4.395 -2.445 1.00 0.00 H new ATOM 407 N LYS A 475 -3.260 2.143 -6.969 1.00 0.00 N ATOM 408 CA LYS A 475 -3.724 1.500 -8.193 1.00 0.00 C ATOM 409 C LYS A 475 -4.447 0.194 -7.882 1.00 0.00 C ATOM 410 O LYS A 475 -5.444 -0.144 -8.521 1.00 0.00 O ATOM 411 CB LYS A 475 -2.547 1.234 -9.133 1.00 0.00 C ATOM 412 CG LYS A 475 -2.963 0.687 -10.489 1.00 0.00 C ATOM 413 CD LYS A 475 -1.755 0.380 -11.360 1.00 0.00 C ATOM 414 CE LYS A 475 -2.170 -0.025 -12.765 1.00 0.00 C ATOM 415 NZ LYS A 475 -2.683 1.134 -13.548 1.00 0.00 N ATOM 0 H LYS A 475 -2.247 2.240 -6.902 1.00 0.00 H new ATOM 0 HA LYS A 475 -4.426 2.174 -8.683 1.00 0.00 H new ATOM 0 HB2 LYS A 475 -1.993 2.161 -9.279 1.00 0.00 H new ATOM 0 HB3 LYS A 475 -1.866 0.527 -8.659 1.00 0.00 H new ATOM 0 HG2 LYS A 475 -3.554 -0.219 -10.352 1.00 0.00 H new ATOM 0 HG3 LYS A 475 -3.603 1.411 -10.994 1.00 0.00 H new ATOM 0 HD2 LYS A 475 -1.108 1.256 -11.409 1.00 0.00 H new ATOM 0 HD3 LYS A 475 -1.172 -0.422 -10.906 1.00 0.00 H new ATOM 0 HE2 LYS A 475 -1.318 -0.464 -13.283 1.00 0.00 H new ATOM 0 HE3 LYS A 475 -2.940 -0.795 -12.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 -2.796 0.857 -14.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 -3.603 1.432 -13.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 -2.009 1.923 -13.482 1.00 0.00 H new ATOM 429 N LYS A 476 -3.937 -0.538 -6.897 1.00 0.00 N ATOM 430 CA LYS A 476 -4.533 -1.809 -6.500 1.00 0.00 C ATOM 431 C LYS A 476 -5.978 -1.618 -6.052 1.00 0.00 C ATOM 432 O LYS A 476 -6.828 -2.479 -6.279 1.00 0.00 O ATOM 433 CB LYS A 476 -3.717 -2.449 -5.376 1.00 0.00 C ATOM 434 CG LYS A 476 -4.141 -3.872 -5.052 1.00 0.00 C ATOM 435 CD LYS A 476 -3.280 -4.474 -3.953 1.00 0.00 C ATOM 436 CE LYS A 476 -3.516 -5.969 -3.816 1.00 0.00 C ATOM 437 NZ LYS A 476 -2.978 -6.727 -4.980 1.00 0.00 N ATOM 0 H LYS A 476 -3.112 -0.273 -6.359 1.00 0.00 H new ATOM 0 HA LYS A 476 -4.527 -2.471 -7.366 1.00 0.00 H new ATOM 0 HB2 LYS A 476 -2.664 -2.447 -5.656 1.00 0.00 H new ATOM 0 HB3 LYS A 476 -3.809 -1.838 -4.478 1.00 0.00 H new ATOM 0 HG2 LYS A 476 -5.186 -3.880 -4.742 1.00 0.00 H new ATOM 0 HG3 LYS A 476 -4.070 -4.487 -5.949 1.00 0.00 H new ATOM 0 HD2 LYS A 476 -2.228 -4.289 -4.171 1.00 0.00 H new ATOM 0 HD3 LYS A 476 -3.500 -3.982 -3.006 1.00 0.00 H new ATOM 0 HE2 LYS A 476 -3.046 -6.328 -2.901 1.00 0.00 H new ATOM 0 HE3 LYS A 476 -4.585 -6.160 -3.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 -2.926 -7.738 -4.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 -3.605 -6.596 -5.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 -2.027 -6.377 -5.212 1.00 0.00 H new ATOM 451 N PHE A 477 -6.250 -0.484 -5.414 1.00 0.00 N ATOM 452 CA PHE A 477 -7.594 -0.181 -4.933 1.00 0.00 C ATOM 453 C PHE A 477 -8.329 0.733 -5.910 1.00 0.00 C ATOM 454 O PHE A 477 -9.172 1.535 -5.509 1.00 0.00 O ATOM 455 CB PHE A 477 -7.529 0.476 -3.553 1.00 0.00 C ATOM 456 CG PHE A 477 -6.964 -0.420 -2.488 1.00 0.00 C ATOM 457 CD1 PHE A 477 -7.687 -1.507 -2.023 1.00 0.00 C ATOM 458 CD2 PHE A 477 -5.710 -0.175 -1.952 1.00 0.00 C ATOM 459 CE1 PHE A 477 -7.169 -2.333 -1.043 1.00 0.00 C ATOM 460 CE2 PHE A 477 -5.187 -0.997 -0.972 1.00 0.00 C ATOM 461 CZ PHE A 477 -5.918 -2.077 -0.517 1.00 0.00 C ATOM 0 H PHE A 477 -5.559 0.240 -5.218 1.00 0.00 H new ATOM 0 HA PHE A 477 -8.145 -1.119 -4.856 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -6.921 1.378 -3.617 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -8.532 0.787 -3.260 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -8.666 -1.711 -2.431 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -5.135 0.668 -2.304 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -7.742 -3.177 -0.689 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -4.208 -0.795 -0.563 1.00 0.00 H new ATOM 0 HZ PHE A 477 -5.512 -2.721 0.249 1.00 0.00 H new ATOM 471 N GLN A 478 -8.003 0.605 -7.192 1.00 0.00 N ATOM 472 CA GLN A 478 -8.632 1.420 -8.225 1.00 0.00 C ATOM 473 C GLN A 478 -9.738 0.645 -8.934 1.00 0.00 C ATOM 474 O GLN A 478 -9.775 -0.584 -8.887 1.00 0.00 O ATOM 475 CB GLN A 478 -7.588 1.886 -9.241 1.00 0.00 C ATOM 476 CG GLN A 478 -8.150 2.805 -10.314 1.00 0.00 C ATOM 477 CD GLN A 478 -7.084 3.309 -11.267 1.00 0.00 C ATOM 478 OE1 GLN A 478 -5.890 3.125 -11.034 1.00 0.00 O ATOM 479 NE2 GLN A 478 -7.513 3.948 -12.349 1.00 0.00 N ATOM 0 H GLN A 478 -7.307 -0.055 -7.540 1.00 0.00 H new ATOM 0 HA GLN A 478 -9.076 2.291 -7.744 1.00 0.00 H new ATOM 0 HB2 GLN A 478 -6.787 2.404 -8.714 1.00 0.00 H new ATOM 0 HB3 GLN A 478 -7.143 1.013 -9.719 1.00 0.00 H new ATOM 0 HG2 GLN A 478 -8.915 2.272 -10.879 1.00 0.00 H new ATOM 0 HG3 GLN A 478 -8.639 3.656 -9.839 1.00 0.00 H new ATOM 0 HE21 GLN A 478 -8.513 4.078 -12.502 1.00 0.00 H new ATOM 0 HE22 GLN A 478 -6.842 4.309 -13.027 1.00 0.00 H new ATOM 488 N THR A 479 -10.638 1.376 -9.589 1.00 0.00 N ATOM 489 CA THR A 479 -11.753 0.769 -10.315 1.00 0.00 C ATOM 490 C THR A 479 -12.428 -0.325 -9.490 1.00 0.00 C ATOM 491 O THR A 479 -12.795 -1.376 -10.016 1.00 0.00 O ATOM 492 CB THR A 479 -11.271 0.199 -11.652 1.00 0.00 C ATOM 493 OG1 THR A 479 -12.369 -0.232 -12.437 1.00 0.00 O ATOM 494 CG2 THR A 479 -10.326 -0.974 -11.503 1.00 0.00 C ATOM 0 H THR A 479 -10.617 2.395 -9.632 1.00 0.00 H new ATOM 0 HA THR A 479 -12.490 1.550 -10.504 1.00 0.00 H new ATOM 0 HB THR A 479 -10.733 1.015 -12.134 1.00 0.00 H new ATOM 0 HG1 THR A 479 -12.944 -0.818 -11.902 1.00 0.00 H new ATOM 0 HG21 THR A 479 -10.025 -1.327 -12.490 1.00 0.00 H new ATOM 0 HG22 THR A 479 -9.443 -0.662 -10.945 1.00 0.00 H new ATOM 0 HG23 THR A 479 -10.828 -1.780 -10.967 1.00 0.00 H new ATOM 502 N LYS A 480 -12.591 -0.070 -8.196 1.00 0.00 N ATOM 503 CA LYS A 480 -13.224 -1.032 -7.301 1.00 0.00 C ATOM 504 C LYS A 480 -14.618 -0.564 -6.896 1.00 0.00 C ATOM 505 O LYS A 480 -14.968 0.603 -7.071 1.00 0.00 O ATOM 506 CB LYS A 480 -12.364 -1.248 -6.055 1.00 0.00 C ATOM 507 CG LYS A 480 -11.097 -2.044 -6.321 1.00 0.00 C ATOM 508 CD LYS A 480 -10.408 -2.443 -5.026 1.00 0.00 C ATOM 509 CE LYS A 480 -9.227 -3.365 -5.284 1.00 0.00 C ATOM 510 NZ LYS A 480 -9.568 -4.790 -5.017 1.00 0.00 N ATOM 0 H LYS A 480 -12.294 0.795 -7.744 1.00 0.00 H new ATOM 0 HA LYS A 480 -13.318 -1.977 -7.836 1.00 0.00 H new ATOM 0 HB2 LYS A 480 -12.093 -0.278 -5.638 1.00 0.00 H new ATOM 0 HB3 LYS A 480 -12.956 -1.765 -5.300 1.00 0.00 H new ATOM 0 HG2 LYS A 480 -11.341 -2.938 -6.895 1.00 0.00 H new ATOM 0 HG3 LYS A 480 -10.415 -1.451 -6.930 1.00 0.00 H new ATOM 0 HD2 LYS A 480 -10.066 -1.549 -4.504 1.00 0.00 H new ATOM 0 HD3 LYS A 480 -11.123 -2.941 -4.371 1.00 0.00 H new ATOM 0 HE2 LYS A 480 -8.901 -3.257 -6.319 1.00 0.00 H new ATOM 0 HE3 LYS A 480 -8.389 -3.068 -4.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 480 -8.737 -5.387 -5.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 480 -9.855 -4.898 -4.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 480 -10.351 -5.082 -5.637 1.00 0.00 H new ATOM 524 N LYS A 481 -15.409 -1.484 -6.354 1.00 0.00 N ATOM 525 CA LYS A 481 -16.767 -1.170 -5.922 1.00 0.00 C ATOM 526 C LYS A 481 -16.769 -0.046 -4.889 1.00 0.00 C ATOM 527 O LYS A 481 -17.757 0.675 -4.746 1.00 0.00 O ATOM 528 CB LYS A 481 -17.439 -2.414 -5.339 1.00 0.00 C ATOM 529 CG LYS A 481 -17.652 -3.523 -6.357 1.00 0.00 C ATOM 530 CD LYS A 481 -18.431 -4.684 -5.760 1.00 0.00 C ATOM 531 CE LYS A 481 -18.548 -5.839 -6.742 1.00 0.00 C ATOM 532 NZ LYS A 481 -19.591 -5.588 -7.774 1.00 0.00 N ATOM 0 H LYS A 481 -15.133 -2.454 -6.203 1.00 0.00 H new ATOM 0 HA LYS A 481 -17.328 -0.835 -6.794 1.00 0.00 H new ATOM 0 HB2 LYS A 481 -16.830 -2.796 -4.520 1.00 0.00 H new ATOM 0 HB3 LYS A 481 -18.402 -2.131 -4.915 1.00 0.00 H new ATOM 0 HG2 LYS A 481 -18.189 -3.128 -7.220 1.00 0.00 H new ATOM 0 HG3 LYS A 481 -16.687 -3.878 -6.717 1.00 0.00 H new ATOM 0 HD2 LYS A 481 -17.936 -5.026 -4.851 1.00 0.00 H new ATOM 0 HD3 LYS A 481 -19.427 -4.346 -5.473 1.00 0.00 H new ATOM 0 HE2 LYS A 481 -17.586 -6.000 -7.230 1.00 0.00 H new ATOM 0 HE3 LYS A 481 -18.787 -6.754 -6.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 -19.639 -6.399 -8.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 -20.514 -5.460 -7.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 -19.350 -4.729 -8.309 1.00 0.00 H new ATOM 546 N THR A 482 -15.659 0.098 -4.170 1.00 0.00 N ATOM 547 CA THR A 482 -15.537 1.134 -3.150 1.00 0.00 C ATOM 548 C THR A 482 -15.846 2.512 -3.729 1.00 0.00 C ATOM 549 O THR A 482 -16.512 3.329 -3.092 1.00 0.00 O ATOM 550 CB THR A 482 -14.129 1.125 -2.551 1.00 0.00 C ATOM 551 OG1 THR A 482 -13.182 1.598 -3.491 1.00 0.00 O ATOM 552 CG2 THR A 482 -13.680 -0.248 -2.098 1.00 0.00 C ATOM 0 H THR A 482 -14.832 -0.490 -4.275 1.00 0.00 H new ATOM 0 HA THR A 482 -16.262 0.920 -2.365 1.00 0.00 H new ATOM 0 HB THR A 482 -14.181 1.778 -1.680 1.00 0.00 H new ATOM 0 HG1 THR A 482 -12.288 1.586 -3.089 1.00 0.00 H new ATOM 0 HG21 THR A 482 -12.674 -0.183 -1.684 1.00 0.00 H new ATOM 0 HG22 THR A 482 -14.363 -0.621 -1.335 1.00 0.00 H new ATOM 0 HG23 THR A 482 -13.679 -0.930 -2.949 1.00 0.00 H new ATOM 560 N GLY A 483 -15.361 2.762 -4.941 1.00 0.00 N ATOM 561 CA GLY A 483 -15.599 4.040 -5.586 1.00 0.00 C ATOM 562 C GLY A 483 -14.920 5.190 -4.869 1.00 0.00 C ATOM 563 O GLY A 483 -15.472 6.287 -4.780 1.00 0.00 O ATOM 0 H GLY A 483 -14.808 2.102 -5.488 1.00 0.00 H new ATOM 0 HA2 GLY A 483 -15.241 3.996 -6.615 1.00 0.00 H new ATOM 0 HA3 GLY A 483 -16.672 4.227 -5.630 1.00 0.00 H new ATOM 567 N LEU A 484 -13.720 4.941 -4.356 1.00 0.00 N ATOM 568 CA LEU A 484 -12.966 5.966 -3.644 1.00 0.00 C ATOM 569 C LEU A 484 -12.020 6.700 -4.588 1.00 0.00 C ATOM 570 O LEU A 484 -11.303 6.078 -5.372 1.00 0.00 O ATOM 571 CB LEU A 484 -12.175 5.341 -2.493 1.00 0.00 C ATOM 572 CG LEU A 484 -12.982 5.071 -1.222 1.00 0.00 C ATOM 573 CD1 LEU A 484 -13.352 6.378 -0.537 1.00 0.00 C ATOM 574 CD2 LEU A 484 -14.231 4.264 -1.544 1.00 0.00 C ATOM 0 H LEU A 484 -13.249 4.039 -4.420 1.00 0.00 H new ATOM 0 HA LEU A 484 -13.676 6.687 -3.238 1.00 0.00 H new ATOM 0 HB2 LEU A 484 -11.744 4.401 -2.837 1.00 0.00 H new ATOM 0 HB3 LEU A 484 -11.344 6.001 -2.244 1.00 0.00 H new ATOM 0 HG LEU A 484 -12.363 4.489 -0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 484 -13.926 6.166 0.365 1.00 0.00 H new ATOM 0 HD12 LEU A 484 -12.444 6.919 -0.271 1.00 0.00 H new ATOM 0 HD13 LEU A 484 -13.952 6.986 -1.214 1.00 0.00 H new ATOM 0 HD21 LEU A 484 -14.793 4.082 -0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 484 -14.853 4.820 -2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 484 -13.944 3.311 -1.989 1.00 0.00 H new ATOM 586 N SER A 485 -12.023 8.027 -4.507 1.00 0.00 N ATOM 587 CA SER A 485 -11.165 8.846 -5.354 1.00 0.00 C ATOM 588 C SER A 485 -9.693 8.569 -5.067 1.00 0.00 C ATOM 589 O SER A 485 -9.334 8.139 -3.971 1.00 0.00 O ATOM 590 CB SER A 485 -11.468 10.330 -5.140 1.00 0.00 C ATOM 591 OG SER A 485 -12.830 10.616 -5.404 1.00 0.00 O ATOM 0 H SER A 485 -12.610 8.557 -3.863 1.00 0.00 H new ATOM 0 HA SER A 485 -11.369 8.587 -6.393 1.00 0.00 H new ATOM 0 HB2 SER A 485 -11.227 10.609 -4.114 1.00 0.00 H new ATOM 0 HB3 SER A 485 -10.834 10.931 -5.792 1.00 0.00 H new ATOM 0 HG SER A 485 -12.998 11.570 -5.258 1.00 0.00 H new ATOM 597 N SER A 486 -8.844 8.819 -6.059 1.00 0.00 N ATOM 598 CA SER A 486 -7.410 8.596 -5.912 1.00 0.00 C ATOM 599 C SER A 486 -6.843 9.431 -4.768 1.00 0.00 C ATOM 600 O SER A 486 -5.955 8.984 -4.042 1.00 0.00 O ATOM 601 CB SER A 486 -6.684 8.936 -7.215 1.00 0.00 C ATOM 602 OG SER A 486 -7.231 8.216 -8.307 1.00 0.00 O ATOM 0 H SER A 486 -9.124 9.176 -6.973 1.00 0.00 H new ATOM 0 HA SER A 486 -7.254 7.542 -5.681 1.00 0.00 H new ATOM 0 HB2 SER A 486 -6.758 10.006 -7.408 1.00 0.00 H new ATOM 0 HB3 SER A 486 -5.624 8.702 -7.116 1.00 0.00 H new ATOM 0 HG SER A 486 -6.751 8.452 -9.128 1.00 0.00 H new ATOM 608 N GLU A 487 -7.362 10.644 -4.613 1.00 0.00 N ATOM 609 CA GLU A 487 -6.907 11.541 -3.557 1.00 0.00 C ATOM 610 C GLU A 487 -7.376 11.054 -2.190 1.00 0.00 C ATOM 611 O GLU A 487 -6.617 11.069 -1.220 1.00 0.00 O ATOM 612 CB GLU A 487 -7.417 12.961 -3.810 1.00 0.00 C ATOM 613 CG GLU A 487 -8.930 13.088 -3.734 1.00 0.00 C ATOM 614 CD GLU A 487 -9.420 14.476 -4.099 1.00 0.00 C ATOM 615 OE1 GLU A 487 -8.578 15.391 -4.221 1.00 0.00 O ATOM 616 OE2 GLU A 487 -10.646 14.648 -4.263 1.00 0.00 O ATOM 0 H GLU A 487 -8.098 11.029 -5.205 1.00 0.00 H new ATOM 0 HA GLU A 487 -5.817 11.548 -3.565 1.00 0.00 H new ATOM 0 HB2 GLU A 487 -6.967 13.635 -3.081 1.00 0.00 H new ATOM 0 HB3 GLU A 487 -7.083 13.288 -4.795 1.00 0.00 H new ATOM 0 HG2 GLU A 487 -9.386 12.359 -4.404 1.00 0.00 H new ATOM 0 HG3 GLU A 487 -9.261 12.844 -2.724 1.00 0.00 H new ATOM 623 N GLN A 488 -8.631 10.622 -2.119 1.00 0.00 N ATOM 624 CA GLN A 488 -9.201 10.130 -0.870 1.00 0.00 C ATOM 625 C GLN A 488 -8.471 8.878 -0.394 1.00 0.00 C ATOM 626 O GLN A 488 -8.240 8.699 0.801 1.00 0.00 O ATOM 627 CB GLN A 488 -10.690 9.829 -1.048 1.00 0.00 C ATOM 628 CG GLN A 488 -11.521 11.054 -1.392 1.00 0.00 C ATOM 629 CD GLN A 488 -11.451 12.126 -0.322 1.00 0.00 C ATOM 630 OE1 GLN A 488 -11.635 11.848 0.863 1.00 0.00 O ATOM 631 NE2 GLN A 488 -11.186 13.359 -0.735 1.00 0.00 N ATOM 0 H GLN A 488 -9.273 10.603 -2.912 1.00 0.00 H new ATOM 0 HA GLN A 488 -9.082 10.907 -0.115 1.00 0.00 H new ATOM 0 HB2 GLN A 488 -10.810 9.086 -1.836 1.00 0.00 H new ATOM 0 HB3 GLN A 488 -11.075 9.385 -0.130 1.00 0.00 H new ATOM 0 HG2 GLN A 488 -11.176 11.468 -2.339 1.00 0.00 H new ATOM 0 HG3 GLN A 488 -12.560 10.755 -1.534 1.00 0.00 H new ATOM 0 HE21 GLN A 488 -11.040 13.544 -1.727 1.00 0.00 H new ATOM 0 HE22 GLN A 488 -11.128 14.122 -0.060 1.00 0.00 H new ATOM 640 N THR A 489 -8.109 8.016 -1.339 1.00 0.00 N ATOM 641 CA THR A 489 -7.404 6.781 -1.016 1.00 0.00 C ATOM 642 C THR A 489 -6.058 7.077 -0.363 1.00 0.00 C ATOM 643 O THR A 489 -5.656 6.406 0.588 1.00 0.00 O ATOM 644 CB THR A 489 -7.198 5.942 -2.278 1.00 0.00 C ATOM 645 OG1 THR A 489 -8.433 5.706 -2.930 1.00 0.00 O ATOM 646 CG2 THR A 489 -6.558 4.598 -2.006 1.00 0.00 C ATOM 0 H THR A 489 -8.292 8.150 -2.333 1.00 0.00 H new ATOM 0 HA THR A 489 -8.014 6.218 -0.309 1.00 0.00 H new ATOM 0 HB THR A 489 -6.525 6.526 -2.906 1.00 0.00 H new ATOM 0 HG1 THR A 489 -8.748 6.536 -3.344 1.00 0.00 H new ATOM 0 HG21 THR A 489 -6.441 4.054 -2.943 1.00 0.00 H new ATOM 0 HG22 THR A 489 -5.580 4.747 -1.548 1.00 0.00 H new ATOM 0 HG23 THR A 489 -7.192 4.023 -1.330 1.00 0.00 H new ATOM 654 N VAL A 490 -5.365 8.086 -0.881 1.00 0.00 N ATOM 655 CA VAL A 490 -4.063 8.471 -0.348 1.00 0.00 C ATOM 656 C VAL A 490 -4.174 8.901 1.111 1.00 0.00 C ATOM 657 O VAL A 490 -3.339 8.539 1.940 1.00 0.00 O ATOM 658 CB VAL A 490 -3.439 9.619 -1.166 1.00 0.00 C ATOM 659 CG1 VAL A 490 -2.028 9.918 -0.683 1.00 0.00 C ATOM 660 CG2 VAL A 490 -3.443 9.283 -2.650 1.00 0.00 C ATOM 0 H VAL A 490 -5.683 8.651 -1.668 1.00 0.00 H new ATOM 0 HA VAL A 490 -3.419 7.595 -0.418 1.00 0.00 H new ATOM 0 HB VAL A 490 -4.044 10.513 -1.018 1.00 0.00 H new ATOM 0 HG11 VAL A 490 -1.606 10.731 -1.274 1.00 0.00 H new ATOM 0 HG12 VAL A 490 -2.057 10.209 0.367 1.00 0.00 H new ATOM 0 HG13 VAL A 490 -1.409 9.028 -0.796 1.00 0.00 H new ATOM 0 HG21 VAL A 490 -2.999 10.105 -3.210 1.00 0.00 H new ATOM 0 HG22 VAL A 490 -2.865 8.375 -2.819 1.00 0.00 H new ATOM 0 HG23 VAL A 490 -4.469 9.128 -2.985 1.00 0.00 H new ATOM 670 N ASN A 491 -5.209 9.676 1.418 1.00 0.00 N ATOM 671 CA ASN A 491 -5.427 10.157 2.777 1.00 0.00 C ATOM 672 C ASN A 491 -5.585 8.992 3.750 1.00 0.00 C ATOM 673 O ASN A 491 -5.013 8.998 4.839 1.00 0.00 O ATOM 674 CB ASN A 491 -6.667 11.052 2.830 1.00 0.00 C ATOM 675 CG ASN A 491 -6.781 11.804 4.142 1.00 0.00 C ATOM 676 OD1 ASN A 491 -5.922 11.685 5.015 1.00 0.00 O ATOM 677 ND2 ASN A 491 -7.846 12.584 4.286 1.00 0.00 N ATOM 0 H ASN A 491 -5.910 9.984 0.744 1.00 0.00 H new ATOM 0 HA ASN A 491 -4.554 10.738 3.074 1.00 0.00 H new ATOM 0 HB2 ASN A 491 -6.632 11.766 2.007 1.00 0.00 H new ATOM 0 HB3 ASN A 491 -7.559 10.442 2.685 1.00 0.00 H new ATOM 0 HD21 ASN A 491 -7.977 13.115 5.147 1.00 0.00 H new ATOM 0 HD22 ASN A 491 -8.533 12.652 3.535 1.00 0.00 H new ATOM 684 N VAL A 492 -6.366 7.994 3.349 1.00 0.00 N ATOM 685 CA VAL A 492 -6.599 6.823 4.186 1.00 0.00 C ATOM 686 C VAL A 492 -5.352 5.948 4.268 1.00 0.00 C ATOM 687 O VAL A 492 -4.910 5.579 5.356 1.00 0.00 O ATOM 688 CB VAL A 492 -7.772 5.977 3.656 1.00 0.00 C ATOM 689 CG1 VAL A 492 -8.103 4.851 4.624 1.00 0.00 C ATOM 690 CG2 VAL A 492 -8.991 6.852 3.407 1.00 0.00 C ATOM 0 H VAL A 492 -6.848 7.973 2.450 1.00 0.00 H new ATOM 0 HA VAL A 492 -6.847 7.191 5.181 1.00 0.00 H new ATOM 0 HB VAL A 492 -7.473 5.531 2.708 1.00 0.00 H new ATOM 0 HG11 VAL A 492 -8.934 4.266 4.231 1.00 0.00 H new ATOM 0 HG12 VAL A 492 -7.232 4.208 4.745 1.00 0.00 H new ATOM 0 HG13 VAL A 492 -8.381 5.272 5.590 1.00 0.00 H new ATOM 0 HG21 VAL A 492 -9.810 6.237 3.033 1.00 0.00 H new ATOM 0 HG22 VAL A 492 -9.292 7.330 4.339 1.00 0.00 H new ATOM 0 HG23 VAL A 492 -8.745 7.617 2.670 1.00 0.00 H new ATOM 700 N LEU A 493 -4.789 5.620 3.109 1.00 0.00 N ATOM 701 CA LEU A 493 -3.593 4.787 3.049 1.00 0.00 C ATOM 702 C LEU A 493 -2.412 5.475 3.727 1.00 0.00 C ATOM 703 O LEU A 493 -1.588 4.825 4.369 1.00 0.00 O ATOM 704 CB LEU A 493 -3.244 4.465 1.594 1.00 0.00 C ATOM 705 CG LEU A 493 -3.970 3.254 1.005 1.00 0.00 C ATOM 706 CD1 LEU A 493 -3.473 1.969 1.649 1.00 0.00 C ATOM 707 CD2 LEU A 493 -5.474 3.395 1.183 1.00 0.00 C ATOM 0 H LEU A 493 -5.142 5.918 2.199 1.00 0.00 H new ATOM 0 HA LEU A 493 -3.801 3.859 3.581 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -3.469 5.338 0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -2.170 4.295 1.523 1.00 0.00 H new ATOM 0 HG LEU A 493 -3.754 3.209 -0.062 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -4.001 1.118 1.218 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -2.403 1.862 1.469 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -3.658 2.005 2.723 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -5.974 2.525 0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -5.710 3.466 2.245 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -5.818 4.295 0.674 1.00 0.00 H new ATOM 719 N ALA A 494 -2.335 6.794 3.578 1.00 0.00 N ATOM 720 CA ALA A 494 -1.253 7.567 4.175 1.00 0.00 C ATOM 721 C ALA A 494 -1.234 7.409 5.691 1.00 0.00 C ATOM 722 O ALA A 494 -0.171 7.283 6.299 1.00 0.00 O ATOM 723 CB ALA A 494 -1.383 9.035 3.797 1.00 0.00 C ATOM 0 H ALA A 494 -3.008 7.349 3.050 1.00 0.00 H new ATOM 0 HA ALA A 494 -0.310 7.184 3.786 1.00 0.00 H new ATOM 0 HB1 ALA A 494 -0.569 9.601 4.250 1.00 0.00 H new ATOM 0 HB2 ALA A 494 -1.337 9.137 2.713 1.00 0.00 H new ATOM 0 HB3 ALA A 494 -2.337 9.420 4.158 1.00 0.00 H new ATOM 729 N GLN A 495 -2.416 7.416 6.293 1.00 0.00 N ATOM 730 CA GLN A 495 -2.540 7.273 7.739 1.00 0.00 C ATOM 731 C GLN A 495 -2.127 5.875 8.186 1.00 0.00 C ATOM 732 O GLN A 495 -1.558 5.700 9.264 1.00 0.00 O ATOM 733 CB GLN A 495 -3.977 7.558 8.180 1.00 0.00 C ATOM 734 CG GLN A 495 -4.395 9.007 7.992 1.00 0.00 C ATOM 735 CD GLN A 495 -5.821 9.265 8.435 1.00 0.00 C ATOM 736 OE1 GLN A 495 -6.770 9.011 7.692 1.00 0.00 O ATOM 737 NE2 GLN A 495 -5.981 9.771 9.652 1.00 0.00 N ATOM 0 H GLN A 495 -3.304 7.519 5.802 1.00 0.00 H new ATOM 0 HA GLN A 495 -1.873 7.996 8.208 1.00 0.00 H new ATOM 0 HB2 GLN A 495 -4.655 6.917 7.617 1.00 0.00 H new ATOM 0 HB3 GLN A 495 -4.085 7.291 9.231 1.00 0.00 H new ATOM 0 HG2 GLN A 495 -3.721 9.652 8.556 1.00 0.00 H new ATOM 0 HG3 GLN A 495 -4.290 9.278 6.941 1.00 0.00 H new ATOM 0 HE21 GLN A 495 -5.167 9.966 10.234 1.00 0.00 H new ATOM 0 HE22 GLN A 495 -6.918 9.964 10.005 1.00 0.00 H new ATOM 746 N ILE A 496 -2.418 4.882 7.352 1.00 0.00 N ATOM 747 CA ILE A 496 -2.078 3.500 7.661 1.00 0.00 C ATOM 748 C ILE A 496 -0.595 3.233 7.406 1.00 0.00 C ATOM 749 O ILE A 496 0.107 2.702 8.267 1.00 0.00 O ATOM 750 CB ILE A 496 -2.955 2.520 6.838 1.00 0.00 C ATOM 751 CG1 ILE A 496 -4.017 1.880 7.734 1.00 0.00 C ATOM 752 CG2 ILE A 496 -2.114 1.445 6.160 1.00 0.00 C ATOM 753 CD1 ILE A 496 -4.979 0.984 6.986 1.00 0.00 C ATOM 0 H ILE A 496 -2.889 5.010 6.456 1.00 0.00 H new ATOM 0 HA ILE A 496 -2.278 3.334 8.720 1.00 0.00 H new ATOM 0 HB ILE A 496 -3.449 3.094 6.054 1.00 0.00 H new ATOM 0 HG12 ILE A 496 -3.522 1.299 8.512 1.00 0.00 H new ATOM 0 HG13 ILE A 496 -4.581 2.667 8.234 1.00 0.00 H new ATOM 0 HG21 ILE A 496 -2.764 0.778 5.593 1.00 0.00 H new ATOM 0 HG22 ILE A 496 -1.399 1.915 5.485 1.00 0.00 H new ATOM 0 HG23 ILE A 496 -1.577 0.872 6.916 1.00 0.00 H new ATOM 0 HD11 ILE A 496 -5.704 0.565 7.684 1.00 0.00 H new ATOM 0 HD12 ILE A 496 -5.501 1.565 6.226 1.00 0.00 H new ATOM 0 HD13 ILE A 496 -4.426 0.175 6.508 1.00 0.00 H new ATOM 765 N LEU A 497 -0.126 3.604 6.219 1.00 0.00 N ATOM 766 CA LEU A 497 1.271 3.403 5.853 1.00 0.00 C ATOM 767 C LEU A 497 2.198 4.146 6.809 1.00 0.00 C ATOM 768 O LEU A 497 3.254 3.637 7.186 1.00 0.00 O ATOM 769 CB LEU A 497 1.517 3.873 4.418 1.00 0.00 C ATOM 770 CG LEU A 497 0.765 3.088 3.341 1.00 0.00 C ATOM 771 CD1 LEU A 497 1.127 3.601 1.956 1.00 0.00 C ATOM 772 CD2 LEU A 497 1.067 1.602 3.458 1.00 0.00 C ATOM 0 H LEU A 497 -0.693 4.045 5.495 1.00 0.00 H new ATOM 0 HA LEU A 497 1.488 2.337 5.922 1.00 0.00 H new ATOM 0 HB2 LEU A 497 1.236 4.924 4.343 1.00 0.00 H new ATOM 0 HB3 LEU A 497 2.585 3.813 4.210 1.00 0.00 H new ATOM 0 HG LEU A 497 -0.305 3.234 3.491 1.00 0.00 H new ATOM 0 HD11 LEU A 497 0.583 3.031 1.203 1.00 0.00 H new ATOM 0 HD12 LEU A 497 0.859 4.655 1.877 1.00 0.00 H new ATOM 0 HD13 LEU A 497 2.199 3.486 1.794 1.00 0.00 H new ATOM 0 HD21 LEU A 497 0.524 1.058 2.685 1.00 0.00 H new ATOM 0 HD22 LEU A 497 2.137 1.437 3.334 1.00 0.00 H new ATOM 0 HD23 LEU A 497 0.756 1.244 4.439 1.00 0.00 H new ATOM 784 N LYS A 498 1.797 5.352 7.198 1.00 0.00 N ATOM 785 CA LYS A 498 2.594 6.163 8.111 1.00 0.00 C ATOM 786 C LYS A 498 2.769 5.459 9.453 1.00 0.00 C ATOM 787 O LYS A 498 3.882 5.349 9.967 1.00 0.00 O ATOM 788 CB LYS A 498 1.936 7.528 8.320 1.00 0.00 C ATOM 789 CG LYS A 498 2.782 8.495 9.132 1.00 0.00 C ATOM 790 CD LYS A 498 2.667 8.219 10.623 1.00 0.00 C ATOM 791 CE LYS A 498 3.015 9.449 11.445 1.00 0.00 C ATOM 792 NZ LYS A 498 3.160 9.128 12.892 1.00 0.00 N ATOM 0 H LYS A 498 0.926 5.789 6.896 1.00 0.00 H new ATOM 0 HA LYS A 498 3.578 6.306 7.665 1.00 0.00 H new ATOM 0 HB2 LYS A 498 1.724 7.972 7.347 1.00 0.00 H new ATOM 0 HB3 LYS A 498 0.978 7.387 8.821 1.00 0.00 H new ATOM 0 HG2 LYS A 498 3.825 8.414 8.825 1.00 0.00 H new ATOM 0 HG3 LYS A 498 2.467 9.518 8.925 1.00 0.00 H new ATOM 0 HD2 LYS A 498 1.652 7.898 10.858 1.00 0.00 H new ATOM 0 HD3 LYS A 498 3.331 7.399 10.895 1.00 0.00 H new ATOM 0 HE2 LYS A 498 3.944 9.882 11.074 1.00 0.00 H new ATOM 0 HE3 LYS A 498 2.238 10.203 11.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 3.397 9.994 13.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 2.266 8.738 13.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 3.918 8.428 13.018 1.00 0.00 H new ATOM 806 N ARG A 499 1.662 4.984 10.015 1.00 0.00 N ATOM 807 CA ARG A 499 1.693 4.291 11.297 1.00 0.00 C ATOM 808 C ARG A 499 2.480 2.988 11.193 1.00 0.00 C ATOM 809 O ARG A 499 3.263 2.652 12.081 1.00 0.00 O ATOM 810 CB ARG A 499 0.270 4.003 11.780 1.00 0.00 C ATOM 811 CG ARG A 499 0.212 3.373 13.162 1.00 0.00 C ATOM 812 CD ARG A 499 -1.218 3.062 13.572 1.00 0.00 C ATOM 813 NE ARG A 499 -1.298 2.565 14.943 1.00 0.00 N ATOM 814 CZ ARG A 499 -2.435 2.211 15.538 1.00 0.00 C ATOM 815 NH1 ARG A 499 -3.589 2.299 14.887 1.00 0.00 N ATOM 816 NH2 ARG A 499 -2.419 1.768 16.788 1.00 0.00 N ATOM 0 H ARG A 499 0.733 5.067 9.602 1.00 0.00 H new ATOM 0 HA ARG A 499 2.191 4.939 12.019 1.00 0.00 H new ATOM 0 HB2 ARG A 499 -0.297 4.934 11.790 1.00 0.00 H new ATOM 0 HB3 ARG A 499 -0.220 3.340 11.067 1.00 0.00 H new ATOM 0 HG2 ARG A 499 0.802 2.456 13.170 1.00 0.00 H new ATOM 0 HG3 ARG A 499 0.662 4.048 13.890 1.00 0.00 H new ATOM 0 HD2 ARG A 499 -1.826 3.961 13.476 1.00 0.00 H new ATOM 0 HD3 ARG A 499 -1.637 2.320 12.892 1.00 0.00 H new ATOM 0 HE ARG A 499 -0.432 2.484 15.476 1.00 0.00 H new ATOM 0 HH11 ARG A 499 -3.608 2.639 13.926 1.00 0.00 H new ATOM 0 HH12 ARG A 499 -4.457 2.026 15.348 1.00 0.00 H new ATOM 0 HH21 ARG A 499 -1.536 1.699 17.293 1.00 0.00 H new ATOM 0 HH22 ARG A 499 -3.290 1.497 17.244 1.00 0.00 H new ATOM 830 N LEU A 500 2.265 2.258 10.103 1.00 0.00 N ATOM 831 CA LEU A 500 2.953 0.991 9.883 1.00 0.00 C ATOM 832 C LEU A 500 4.461 1.196 9.799 1.00 0.00 C ATOM 833 O LEU A 500 5.238 0.383 10.298 1.00 0.00 O ATOM 834 CB LEU A 500 2.445 0.326 8.603 1.00 0.00 C ATOM 835 CG LEU A 500 3.070 -1.034 8.287 1.00 0.00 C ATOM 836 CD1 LEU A 500 2.579 -2.088 9.268 1.00 0.00 C ATOM 837 CD2 LEU A 500 2.755 -1.445 6.857 1.00 0.00 C ATOM 0 H LEU A 500 1.620 2.522 9.358 1.00 0.00 H new ATOM 0 HA LEU A 500 2.741 0.340 10.731 1.00 0.00 H new ATOM 0 HB2 LEU A 500 1.365 0.203 8.680 1.00 0.00 H new ATOM 0 HB3 LEU A 500 2.631 0.998 7.765 1.00 0.00 H new ATOM 0 HG LEU A 500 4.152 -0.949 8.389 1.00 0.00 H new ATOM 0 HD11 LEU A 500 3.034 -3.049 9.028 1.00 0.00 H new ATOM 0 HD12 LEU A 500 2.856 -1.799 10.282 1.00 0.00 H new ATOM 0 HD13 LEU A 500 1.495 -2.173 9.198 1.00 0.00 H new ATOM 0 HD21 LEU A 500 3.207 -2.415 6.649 1.00 0.00 H new ATOM 0 HD22 LEU A 500 1.675 -1.513 6.728 1.00 0.00 H new ATOM 0 HD23 LEU A 500 3.157 -0.702 6.168 1.00 0.00 H new ATOM 849 N ASN A 501 4.868 2.289 9.161 1.00 0.00 N ATOM 850 CA ASN A 501 6.284 2.604 9.008 1.00 0.00 C ATOM 851 C ASN A 501 7.025 1.461 8.315 1.00 0.00 C ATOM 852 O ASN A 501 7.981 0.907 8.860 1.00 0.00 O ATOM 853 CB ASN A 501 6.915 2.887 10.373 1.00 0.00 C ATOM 854 CG ASN A 501 7.995 3.949 10.301 1.00 0.00 C ATOM 855 OD1 ASN A 501 8.936 3.842 9.516 1.00 0.00 O ATOM 856 ND2 ASN A 501 7.863 4.983 11.124 1.00 0.00 N ATOM 0 H ASN A 501 4.237 2.972 8.741 1.00 0.00 H new ATOM 0 HA ASN A 501 6.368 3.495 8.386 1.00 0.00 H new ATOM 0 HB2 ASN A 501 6.140 3.207 11.069 1.00 0.00 H new ATOM 0 HB3 ASN A 501 7.341 1.966 10.772 1.00 0.00 H new ATOM 0 HD21 ASN A 501 8.558 5.729 11.121 1.00 0.00 H new ATOM 0 HD22 ASN A 501 7.066 5.031 11.759 1.00 0.00 H new ATOM 863 N PRO A 502 6.591 1.091 7.098 1.00 0.00 N ATOM 864 CA PRO A 502 7.216 0.009 6.331 1.00 0.00 C ATOM 865 C PRO A 502 8.626 0.364 5.870 1.00 0.00 C ATOM 866 O PRO A 502 8.904 1.508 5.513 1.00 0.00 O ATOM 867 CB PRO A 502 6.287 -0.160 5.125 1.00 0.00 C ATOM 868 CG PRO A 502 5.607 1.157 4.981 1.00 0.00 C ATOM 869 CD PRO A 502 5.458 1.699 6.375 1.00 0.00 C ATOM 0 HA PRO A 502 7.330 -0.896 6.927 1.00 0.00 H new ATOM 0 HB2 PRO A 502 6.848 -0.416 4.226 1.00 0.00 H new ATOM 0 HB3 PRO A 502 5.567 -0.961 5.290 1.00 0.00 H new ATOM 0 HG2 PRO A 502 6.194 1.834 4.360 1.00 0.00 H new ATOM 0 HG3 PRO A 502 4.635 1.044 4.500 1.00 0.00 H new ATOM 0 HD2 PRO A 502 5.508 2.788 6.391 1.00 0.00 H new ATOM 0 HD3 PRO A 502 4.502 1.418 6.816 1.00 0.00 H new ATOM 877 N GLU A 503 9.513 -0.626 5.881 1.00 0.00 N ATOM 878 CA GLU A 503 10.895 -0.420 5.464 1.00 0.00 C ATOM 879 C GLU A 503 10.961 0.041 4.012 1.00 0.00 C ATOM 880 O GLU A 503 10.126 -0.340 3.191 1.00 0.00 O ATOM 881 CB GLU A 503 11.701 -1.708 5.639 1.00 0.00 C ATOM 882 CG GLU A 503 11.802 -2.171 7.084 1.00 0.00 C ATOM 883 CD GLU A 503 12.501 -1.161 7.972 1.00 0.00 C ATOM 884 OE1 GLU A 503 13.195 -0.274 7.432 1.00 0.00 O ATOM 885 OE2 GLU A 503 12.354 -1.257 9.209 1.00 0.00 O ATOM 0 H GLU A 503 9.299 -1.579 6.174 1.00 0.00 H new ATOM 0 HA GLU A 503 11.326 0.358 6.094 1.00 0.00 H new ATOM 0 HB2 GLU A 503 11.242 -2.498 5.044 1.00 0.00 H new ATOM 0 HB3 GLU A 503 12.705 -1.555 5.244 1.00 0.00 H new ATOM 0 HG2 GLU A 503 10.801 -2.359 7.472 1.00 0.00 H new ATOM 0 HG3 GLU A 503 12.342 -3.117 7.122 1.00 0.00 H new ATOM 892 N ARG A 504 11.958 0.863 3.701 1.00 0.00 N ATOM 893 CA ARG A 504 12.132 1.376 2.347 1.00 0.00 C ATOM 894 C ARG A 504 13.389 0.800 1.705 1.00 0.00 C ATOM 895 O ARG A 504 14.451 0.753 2.326 1.00 0.00 O ATOM 896 CB ARG A 504 12.208 2.904 2.365 1.00 0.00 C ATOM 897 CG ARG A 504 10.941 3.570 2.875 1.00 0.00 C ATOM 898 CD ARG A 504 11.052 5.086 2.833 1.00 0.00 C ATOM 899 NE ARG A 504 11.019 5.599 1.465 1.00 0.00 N ATOM 900 CZ ARG A 504 10.838 6.882 1.159 1.00 0.00 C ATOM 901 NH1 ARG A 504 10.675 7.784 2.119 1.00 0.00 N ATOM 902 NH2 ARG A 504 10.820 7.264 -0.110 1.00 0.00 N ATOM 0 H ARG A 504 12.658 1.188 4.368 1.00 0.00 H new ATOM 0 HA ARG A 504 11.270 1.069 1.754 1.00 0.00 H new ATOM 0 HB2 ARG A 504 13.047 3.210 2.990 1.00 0.00 H new ATOM 0 HB3 ARG A 504 12.415 3.261 1.356 1.00 0.00 H new ATOM 0 HG2 ARG A 504 10.092 3.250 2.271 1.00 0.00 H new ATOM 0 HG3 ARG A 504 10.745 3.247 3.897 1.00 0.00 H new ATOM 0 HD2 ARG A 504 10.235 5.525 3.405 1.00 0.00 H new ATOM 0 HD3 ARG A 504 11.980 5.395 3.314 1.00 0.00 H new ATOM 0 HE ARG A 504 11.142 4.935 0.700 1.00 0.00 H new ATOM 0 HH11 ARG A 504 10.688 7.496 3.097 1.00 0.00 H new ATOM 0 HH12 ARG A 504 10.537 8.766 1.878 1.00 0.00 H new ATOM 0 HH21 ARG A 504 10.945 6.575 -0.852 1.00 0.00 H new ATOM 0 HH22 ARG A 504 10.681 8.247 -0.345 1.00 0.00 H new ATOM 916 N LYS A 505 13.262 0.363 0.456 1.00 0.00 N ATOM 917 CA LYS A 505 14.388 -0.210 -0.272 1.00 0.00 C ATOM 918 C LYS A 505 14.565 0.473 -1.625 1.00 0.00 C ATOM 919 O LYS A 505 13.588 0.835 -2.281 1.00 0.00 O ATOM 920 CB LYS A 505 14.183 -1.713 -0.470 1.00 0.00 C ATOM 921 CG LYS A 505 14.114 -2.494 0.832 1.00 0.00 C ATOM 922 CD LYS A 505 14.024 -3.990 0.580 1.00 0.00 C ATOM 923 CE LYS A 505 13.827 -4.762 1.874 1.00 0.00 C ATOM 924 NZ LYS A 505 13.117 -6.051 1.650 1.00 0.00 N ATOM 0 H LYS A 505 12.390 0.395 -0.073 1.00 0.00 H new ATOM 0 HA LYS A 505 15.290 -0.048 0.318 1.00 0.00 H new ATOM 0 HB2 LYS A 505 13.262 -1.875 -1.030 1.00 0.00 H new ATOM 0 HB3 LYS A 505 14.999 -2.106 -1.077 1.00 0.00 H new ATOM 0 HG2 LYS A 505 14.996 -2.278 1.434 1.00 0.00 H new ATOM 0 HG3 LYS A 505 13.248 -2.168 1.408 1.00 0.00 H new ATOM 0 HD2 LYS A 505 13.196 -4.197 -0.098 1.00 0.00 H new ATOM 0 HD3 LYS A 505 14.933 -4.332 0.086 1.00 0.00 H new ATOM 0 HE2 LYS A 505 14.797 -4.957 2.332 1.00 0.00 H new ATOM 0 HE3 LYS A 505 13.259 -4.153 2.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 505 12.943 -6.515 2.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 505 12.210 -5.870 1.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 505 13.702 -6.671 1.054 1.00 0.00 H new ATOM 938 N MET A 506 15.817 0.647 -2.035 1.00 0.00 N ATOM 939 CA MET A 506 16.121 1.286 -3.310 1.00 0.00 C ATOM 940 C MET A 506 16.437 0.246 -4.380 1.00 0.00 C ATOM 941 O MET A 506 17.540 -0.299 -4.422 1.00 0.00 O ATOM 942 CB MET A 506 17.300 2.248 -3.153 1.00 0.00 C ATOM 943 CG MET A 506 17.012 3.417 -2.225 1.00 0.00 C ATOM 944 SD MET A 506 18.343 4.633 -2.206 1.00 0.00 S ATOM 945 CE MET A 506 18.129 5.394 -3.814 1.00 0.00 C ATOM 0 H MET A 506 16.637 0.355 -1.503 1.00 0.00 H new ATOM 0 HA MET A 506 15.241 1.848 -3.625 1.00 0.00 H new ATOM 0 HB2 MET A 506 18.160 1.697 -2.773 1.00 0.00 H new ATOM 0 HB3 MET A 506 17.577 2.633 -4.134 1.00 0.00 H new ATOM 0 HG2 MET A 506 16.086 3.902 -2.535 1.00 0.00 H new ATOM 0 HG3 MET A 506 16.853 3.042 -1.214 1.00 0.00 H new ATOM 0 HE1 MET A 506 18.660 6.345 -3.840 1.00 0.00 H new ATOM 0 HE2 MET A 506 18.528 4.734 -4.585 1.00 0.00 H new ATOM 0 HE3 MET A 506 17.068 5.566 -3.997 1.00 0.00 H new ATOM 955 N ILE A 507 15.463 -0.023 -5.243 1.00 0.00 N ATOM 956 CA ILE A 507 15.638 -0.997 -6.314 1.00 0.00 C ATOM 957 C ILE A 507 15.444 -0.348 -7.680 1.00 0.00 C ATOM 958 O ILE A 507 14.388 0.218 -7.965 1.00 0.00 O ATOM 959 CB ILE A 507 14.652 -2.172 -6.170 1.00 0.00 C ATOM 960 CG1 ILE A 507 14.716 -2.751 -4.756 1.00 0.00 C ATOM 961 CG2 ILE A 507 14.955 -3.249 -7.203 1.00 0.00 C ATOM 962 CD1 ILE A 507 13.679 -3.821 -4.493 1.00 0.00 C ATOM 0 H ILE A 507 14.544 0.420 -5.222 1.00 0.00 H new ATOM 0 HA ILE A 507 16.657 -1.377 -6.236 1.00 0.00 H new ATOM 0 HB ILE A 507 13.642 -1.801 -6.345 1.00 0.00 H new ATOM 0 HG12 ILE A 507 15.708 -3.169 -4.588 1.00 0.00 H new ATOM 0 HG13 ILE A 507 14.584 -1.944 -4.035 1.00 0.00 H new ATOM 0 HG21 ILE A 507 14.250 -4.072 -7.088 1.00 0.00 H new ATOM 0 HG22 ILE A 507 14.862 -2.829 -8.205 1.00 0.00 H new ATOM 0 HG23 ILE A 507 15.970 -3.618 -7.057 1.00 0.00 H new ATOM 0 HD11 ILE A 507 13.784 -4.186 -3.471 1.00 0.00 H new ATOM 0 HD12 ILE A 507 12.682 -3.402 -4.628 1.00 0.00 H new ATOM 0 HD13 ILE A 507 13.823 -4.647 -5.190 1.00 0.00 H new ATOM 974 N ASN A 508 16.469 -0.434 -8.522 1.00 0.00 N ATOM 975 CA ASN A 508 16.410 0.146 -9.860 1.00 0.00 C ATOM 976 C ASN A 508 16.120 1.643 -9.792 1.00 0.00 C ATOM 977 O ASN A 508 15.314 2.166 -10.561 1.00 0.00 O ATOM 978 CB ASN A 508 15.339 -0.557 -10.696 1.00 0.00 C ATOM 979 CG ASN A 508 15.635 -2.031 -10.893 1.00 0.00 C ATOM 980 OD1 ASN A 508 16.764 -2.480 -10.701 1.00 0.00 O ATOM 981 ND2 ASN A 508 14.617 -2.792 -11.280 1.00 0.00 N ATOM 0 H ASN A 508 17.350 -0.899 -8.302 1.00 0.00 H new ATOM 0 HA ASN A 508 17.381 0.004 -10.334 1.00 0.00 H new ATOM 0 HB2 ASN A 508 14.370 -0.446 -10.209 1.00 0.00 H new ATOM 0 HB3 ASN A 508 15.264 -0.071 -11.669 1.00 0.00 H new ATOM 0 HD21 ASN A 508 14.755 -3.791 -11.430 1.00 0.00 H new ATOM 0 HD22 ASN A 508 13.697 -2.377 -11.427 1.00 0.00 H new ATOM 988 N ASP A 509 16.783 2.326 -8.864 1.00 0.00 N ATOM 989 CA ASP A 509 16.597 3.762 -8.693 1.00 0.00 C ATOM 990 C ASP A 509 15.150 4.083 -8.330 1.00 0.00 C ATOM 991 O ASP A 509 14.632 5.144 -8.680 1.00 0.00 O ATOM 992 CB ASP A 509 16.990 4.505 -9.972 1.00 0.00 C ATOM 993 CG ASP A 509 17.022 6.009 -9.782 1.00 0.00 C ATOM 994 OD1 ASP A 509 17.014 6.462 -8.618 1.00 0.00 O ATOM 995 OD2 ASP A 509 17.055 6.735 -10.798 1.00 0.00 O ATOM 0 H ASP A 509 17.454 1.908 -8.219 1.00 0.00 H new ATOM 0 HA ASP A 509 17.240 4.092 -7.877 1.00 0.00 H new ATOM 0 HB2 ASP A 509 17.971 4.162 -10.301 1.00 0.00 H new ATOM 0 HB3 ASP A 509 16.284 4.257 -10.764 1.00 0.00 H new ATOM 1000 N LYS A 510 14.504 3.160 -7.625 1.00 0.00 N ATOM 1001 CA LYS A 510 13.118 3.344 -7.213 1.00 0.00 C ATOM 1002 C LYS A 510 12.926 2.941 -5.754 1.00 0.00 C ATOM 1003 O LYS A 510 13.639 2.080 -5.239 1.00 0.00 O ATOM 1004 CB LYS A 510 12.185 2.525 -8.107 1.00 0.00 C ATOM 1005 CG LYS A 510 12.224 2.939 -9.569 1.00 0.00 C ATOM 1006 CD LYS A 510 11.204 2.171 -10.393 1.00 0.00 C ATOM 1007 CE LYS A 510 11.330 2.489 -11.873 1.00 0.00 C ATOM 1008 NZ LYS A 510 12.147 1.472 -12.592 1.00 0.00 N ATOM 0 H LYS A 510 14.919 2.277 -7.327 1.00 0.00 H new ATOM 0 HA LYS A 510 12.872 4.401 -7.315 1.00 0.00 H new ATOM 0 HB2 LYS A 510 12.453 1.471 -8.029 1.00 0.00 H new ATOM 0 HB3 LYS A 510 11.164 2.622 -7.738 1.00 0.00 H new ATOM 0 HG2 LYS A 510 12.028 4.008 -9.651 1.00 0.00 H new ATOM 0 HG3 LYS A 510 13.222 2.766 -9.971 1.00 0.00 H new ATOM 0 HD2 LYS A 510 11.340 1.101 -10.237 1.00 0.00 H new ATOM 0 HD3 LYS A 510 10.199 2.418 -10.051 1.00 0.00 H new ATOM 0 HE2 LYS A 510 10.337 2.539 -12.319 1.00 0.00 H new ATOM 0 HE3 LYS A 510 11.784 3.472 -11.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 12.209 1.725 -13.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 13.103 1.442 -12.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 11.700 0.538 -12.497 1.00 0.00 H new ATOM 1022 N MET A 511 11.959 3.570 -5.094 1.00 0.00 N ATOM 1023 CA MET A 511 11.674 3.276 -3.694 1.00 0.00 C ATOM 1024 C MET A 511 10.562 2.239 -3.571 1.00 0.00 C ATOM 1025 O MET A 511 9.507 2.370 -4.192 1.00 0.00 O ATOM 1026 CB MET A 511 11.280 4.555 -2.953 1.00 0.00 C ATOM 1027 CG MET A 511 12.378 5.606 -2.929 1.00 0.00 C ATOM 1028 SD MET A 511 12.012 7.021 -3.986 1.00 0.00 S ATOM 1029 CE MET A 511 11.099 8.064 -2.852 1.00 0.00 C ATOM 0 H MET A 511 11.360 4.286 -5.505 1.00 0.00 H new ATOM 0 HA MET A 511 12.578 2.867 -3.243 1.00 0.00 H new ATOM 0 HB2 MET A 511 10.393 4.979 -3.423 1.00 0.00 H new ATOM 0 HB3 MET A 511 11.008 4.302 -1.928 1.00 0.00 H new ATOM 0 HG2 MET A 511 12.523 5.951 -1.905 1.00 0.00 H new ATOM 0 HG3 MET A 511 13.316 5.152 -3.248 1.00 0.00 H new ATOM 0 HE1 MET A 511 10.772 8.965 -3.370 1.00 0.00 H new ATOM 0 HE2 MET A 511 10.229 7.523 -2.480 1.00 0.00 H new ATOM 0 HE3 MET A 511 11.740 8.339 -2.015 1.00 0.00 H new ATOM 1039 N HIS A 512 10.805 1.210 -2.766 1.00 0.00 N ATOM 1040 CA HIS A 512 9.823 0.151 -2.562 1.00 0.00 C ATOM 1041 C HIS A 512 9.617 -0.121 -1.076 1.00 0.00 C ATOM 1042 O HIS A 512 10.547 -0.002 -0.278 1.00 0.00 O ATOM 1043 CB HIS A 512 10.269 -1.130 -3.270 1.00 0.00 C ATOM 1044 CG HIS A 512 10.320 -1.004 -4.760 1.00 0.00 C ATOM 1045 ND1 HIS A 512 11.459 -0.637 -5.447 1.00 0.00 N ATOM 1046 CD2 HIS A 512 9.364 -1.199 -5.700 1.00 0.00 C ATOM 1047 CE1 HIS A 512 11.201 -0.611 -6.742 1.00 0.00 C ATOM 1048 NE2 HIS A 512 9.937 -0.949 -6.922 1.00 0.00 N ATOM 0 H HIS A 512 11.673 1.087 -2.244 1.00 0.00 H new ATOM 0 HA HIS A 512 8.875 0.482 -2.987 1.00 0.00 H new ATOM 0 HB2 HIS A 512 11.256 -1.413 -2.904 1.00 0.00 H new ATOM 0 HB3 HIS A 512 9.587 -1.938 -3.005 1.00 0.00 H new ATOM 0 HD2 HIS A 512 8.341 -1.496 -5.521 1.00 0.00 H new ATOM 0 HE1 HIS A 512 11.904 -0.357 -7.521 1.00 0.00 H new ATOM 0 HE2 HIS A 512 9.463 -1.014 -7.823 1.00 0.00 H new ATOM 1057 N PHE A 513 8.392 -0.488 -0.711 1.00 0.00 N ATOM 1058 CA PHE A 513 8.064 -0.778 0.680 1.00 0.00 C ATOM 1059 C PHE A 513 7.858 -2.275 0.889 1.00 0.00 C ATOM 1060 O PHE A 513 7.119 -2.920 0.145 1.00 0.00 O ATOM 1061 CB PHE A 513 6.806 -0.015 1.099 1.00 0.00 C ATOM 1062 CG PHE A 513 6.961 1.478 1.036 1.00 0.00 C ATOM 1063 CD1 PHE A 513 7.495 2.178 2.105 1.00 0.00 C ATOM 1064 CD2 PHE A 513 6.572 2.180 -0.094 1.00 0.00 C ATOM 1065 CE1 PHE A 513 7.638 3.551 2.050 1.00 0.00 C ATOM 1066 CE2 PHE A 513 6.713 3.554 -0.155 1.00 0.00 C ATOM 1067 CZ PHE A 513 7.247 4.240 0.919 1.00 0.00 C ATOM 0 H PHE A 513 7.611 -0.591 -1.359 1.00 0.00 H new ATOM 0 HA PHE A 513 8.900 -0.454 1.300 1.00 0.00 H new ATOM 0 HB2 PHE A 513 5.978 -0.314 0.456 1.00 0.00 H new ATOM 0 HB3 PHE A 513 6.539 -0.302 2.116 1.00 0.00 H new ATOM 0 HD1 PHE A 513 7.803 1.644 2.992 1.00 0.00 H new ATOM 0 HD2 PHE A 513 6.154 1.648 -0.936 1.00 0.00 H new ATOM 0 HE1 PHE A 513 8.055 4.085 2.891 1.00 0.00 H new ATOM 0 HE2 PHE A 513 6.406 4.090 -1.041 1.00 0.00 H new ATOM 0 HZ PHE A 513 7.358 5.313 0.874 1.00 0.00 H new ATOM 1077 N SER A 514 8.517 -2.822 1.906 1.00 0.00 N ATOM 1078 CA SER A 514 8.406 -4.244 2.212 1.00 0.00 C ATOM 1079 C SER A 514 8.533 -4.490 3.711 1.00 0.00 C ATOM 1080 O SER A 514 9.251 -3.774 4.410 1.00 0.00 O ATOM 1081 CB SER A 514 9.479 -5.034 1.461 1.00 0.00 C ATOM 1082 OG SER A 514 9.307 -6.429 1.642 1.00 0.00 O ATOM 0 H SER A 514 9.133 -2.303 2.532 1.00 0.00 H new ATOM 0 HA SER A 514 7.422 -4.583 1.889 1.00 0.00 H new ATOM 0 HB2 SER A 514 9.435 -4.794 0.399 1.00 0.00 H new ATOM 0 HB3 SER A 514 10.467 -4.738 1.814 1.00 0.00 H new ATOM 0 HG SER A 514 10.004 -6.911 1.150 1.00 0.00 H new ATOM 1088 N LEU A 515 7.833 -5.509 4.200 1.00 0.00 N ATOM 1089 CA LEU A 515 7.869 -5.852 5.618 1.00 0.00 C ATOM 1090 C LEU A 515 7.950 -7.360 5.803 1.00 0.00 C ATOM 1091 O LEU A 515 6.933 -8.053 5.825 1.00 0.00 O ATOM 1092 CB LEU A 515 6.639 -5.301 6.349 1.00 0.00 C ATOM 1093 CG LEU A 515 5.503 -4.832 5.444 1.00 0.00 C ATOM 1094 CD1 LEU A 515 4.481 -5.942 5.251 1.00 0.00 C ATOM 1095 CD2 LEU A 515 4.841 -3.586 6.014 1.00 0.00 C ATOM 0 H LEU A 515 7.234 -6.112 3.636 1.00 0.00 H new ATOM 0 HA LEU A 515 8.760 -5.395 6.048 1.00 0.00 H new ATOM 0 HB2 LEU A 515 6.256 -6.073 7.016 1.00 0.00 H new ATOM 0 HB3 LEU A 515 6.952 -4.466 6.975 1.00 0.00 H new ATOM 0 HG LEU A 515 5.923 -4.579 4.470 1.00 0.00 H new ATOM 0 HD11 LEU A 515 3.679 -5.589 4.603 1.00 0.00 H new ATOM 0 HD12 LEU A 515 4.964 -6.806 4.793 1.00 0.00 H new ATOM 0 HD13 LEU A 515 4.067 -6.228 6.218 1.00 0.00 H new ATOM 0 HD21 LEU A 515 4.034 -3.268 5.354 1.00 0.00 H new ATOM 0 HD22 LEU A 515 4.436 -3.808 7.001 1.00 0.00 H new ATOM 0 HD23 LEU A 515 5.578 -2.787 6.096 1.00 0.00 H new ATOM 1107 N LYS A 516 9.170 -7.859 5.936 1.00 0.00 N ATOM 1108 CA LYS A 516 9.398 -9.288 6.121 1.00 0.00 C ATOM 1109 C LYS A 516 8.989 -9.727 7.523 1.00 0.00 C ATOM 1110 O LYS A 516 9.523 -9.237 8.518 1.00 0.00 O ATOM 1111 CB LYS A 516 10.869 -9.626 5.876 1.00 0.00 C ATOM 1112 CG LYS A 516 11.136 -11.116 5.737 1.00 0.00 C ATOM 1113 CD LYS A 516 12.624 -11.422 5.784 1.00 0.00 C ATOM 1114 CE LYS A 516 13.335 -10.921 4.537 1.00 0.00 C ATOM 1115 NZ LYS A 516 14.408 -11.854 4.096 1.00 0.00 N ATOM 0 H LYS A 516 10.020 -7.296 5.919 1.00 0.00 H new ATOM 0 HA LYS A 516 8.784 -9.826 5.399 1.00 0.00 H new ATOM 0 HB2 LYS A 516 11.204 -9.119 4.971 1.00 0.00 H new ATOM 0 HB3 LYS A 516 11.465 -9.234 6.700 1.00 0.00 H new ATOM 0 HG2 LYS A 516 10.627 -11.654 6.537 1.00 0.00 H new ATOM 0 HG3 LYS A 516 10.719 -11.475 4.796 1.00 0.00 H new ATOM 0 HD2 LYS A 516 13.064 -10.958 6.667 1.00 0.00 H new ATOM 0 HD3 LYS A 516 12.773 -12.497 5.882 1.00 0.00 H new ATOM 0 HE2 LYS A 516 12.611 -10.795 3.732 1.00 0.00 H new ATOM 0 HE3 LYS A 516 13.766 -9.940 4.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 14.868 -11.476 3.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 15.113 -11.955 4.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 13.994 -12.784 3.882 1.00 0.00 H new ATOM 1129 N GLU A 517 8.039 -10.653 7.594 1.00 0.00 N ATOM 1130 CA GLU A 517 7.557 -11.159 8.874 1.00 0.00 C ATOM 1131 C GLU A 517 7.715 -12.674 8.954 1.00 0.00 C ATOM 1132 O GLU A 517 8.103 -13.172 10.032 1.00 0.00 O ATOM 1133 CB GLU A 517 6.091 -10.776 9.079 1.00 0.00 C ATOM 1134 CG GLU A 517 5.859 -9.276 9.160 1.00 0.00 C ATOM 1135 CD GLU A 517 6.598 -8.634 10.318 1.00 0.00 C ATOM 1136 OE1 GLU A 517 7.005 -9.367 11.243 1.00 0.00 O ATOM 1137 OE2 GLU A 517 6.770 -7.397 10.299 1.00 0.00 O ATOM 1138 OXT GLU A 517 7.449 -13.351 7.939 1.00 0.00 O ATOM 0 H GLU A 517 7.587 -11.069 6.780 1.00 0.00 H new ATOM 0 HA GLU A 517 8.157 -10.707 9.664 1.00 0.00 H new ATOM 0 HB2 GLU A 517 5.500 -11.183 8.259 1.00 0.00 H new ATOM 0 HB3 GLU A 517 5.727 -11.241 9.995 1.00 0.00 H new ATOM 0 HG2 GLU A 517 6.179 -8.812 8.227 1.00 0.00 H new ATOM 0 HG3 GLU A 517 4.791 -9.082 9.263 1.00 0.00 H new