USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=19 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 505 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0069) USER MOD Set 1.2: A 514 SER OG : rot -130:sc= 0 USER MOD Set 2.1: A 469 THR OG1 : rot 110:sc= 1.09 USER MOD Set 2.2: A 470 THR OG1 : rot 180:sc= 0 USER MOD Single : A 455 THR OG1 : rot 180:sc= 0 USER MOD Single : A 462 TYR OH : rot 180:sc= 0 USER MOD Single : A 464 THR OG1 : rot 38:sc= -1.01 USER MOD Single : A 466 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 468 MET CE :methyl 161:sc= -0.116 (180deg=-0.593) USER MOD Single : A 471 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 475 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0249) USER MOD Single : A 476 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 478 GLN :FLIP amide:sc= -0.774 F(o=-2.4,f=-0.77) USER MOD Single : A 479 THR OG1 : rot 180:sc= -0.0133 USER MOD Single : A 480 LYS NZ :NH3+ 147:sc= -0.0227 (180deg=-0.512) USER MOD Single : A 481 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 482 THR OG1 : rot 180:sc= 0 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= -0.85 K(o=-0.85,f=-7.6!) USER MOD Single : A 489 THR OG1 : rot 84:sc= 0.529 USER MOD Single : A 491 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 495 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 498 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 501 ASN : amide:sc= 0.137 X(o=0.14,f=0) USER MOD Single : A 506 MET CE :methyl -163:sc= -0.126 (180deg=-0.597) USER MOD Single : A 508 ASN : amide:sc= -0.0915 K(o=-0.091,f=-1.4) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 511 MET CE :methyl 136:sc= -1.21 (180deg=-3.31!) USER MOD Single : A 512 HIS :FLIP no HD1:sc= -0.189 F(o=-1.1,f=-0.19) USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 45 N VAL A 454 -10.023 0.669 2.899 1.00 0.00 N ATOM 46 CA VAL A 454 -8.615 0.319 3.037 1.00 0.00 C ATOM 47 C VAL A 454 -8.295 -0.121 4.462 1.00 0.00 C ATOM 48 O VAL A 454 -8.657 0.554 5.426 1.00 0.00 O ATOM 49 CB VAL A 454 -7.702 1.500 2.660 1.00 0.00 C ATOM 50 CG1 VAL A 454 -6.248 1.058 2.611 1.00 0.00 C ATOM 51 CG2 VAL A 454 -8.130 2.102 1.330 1.00 0.00 C ATOM 0 HA VAL A 454 -8.427 -0.508 2.353 1.00 0.00 H new ATOM 0 HB VAL A 454 -7.797 2.268 3.428 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -5.619 1.907 2.343 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -5.950 0.679 3.589 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -6.132 0.271 1.866 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -7.473 2.935 1.080 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -8.067 1.343 0.550 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -9.157 2.459 1.406 1.00 0.00 H new ATOM 61 N THR A 455 -7.616 -1.257 4.588 1.00 0.00 N ATOM 62 CA THR A 455 -7.248 -1.787 5.896 1.00 0.00 C ATOM 63 C THR A 455 -5.750 -2.064 5.969 1.00 0.00 C ATOM 64 O THR A 455 -5.126 -2.429 4.973 1.00 0.00 O ATOM 65 CB THR A 455 -8.030 -3.070 6.187 1.00 0.00 C ATOM 66 OG1 THR A 455 -9.424 -2.843 6.077 1.00 0.00 O ATOM 67 CG2 THR A 455 -7.763 -3.633 7.566 1.00 0.00 C ATOM 0 H THR A 455 -7.310 -1.828 3.800 1.00 0.00 H new ATOM 0 HA THR A 455 -7.498 -1.038 6.648 1.00 0.00 H new ATOM 0 HB THR A 455 -7.688 -3.792 5.445 1.00 0.00 H new ATOM 0 HG1 THR A 455 -9.907 -3.675 6.265 1.00 0.00 H new ATOM 0 HG21 THR A 455 -8.348 -4.542 7.708 1.00 0.00 H new ATOM 0 HG22 THR A 455 -6.703 -3.865 7.665 1.00 0.00 H new ATOM 0 HG23 THR A 455 -8.046 -2.898 8.320 1.00 0.00 H new ATOM 75 N GLU A 456 -5.179 -1.888 7.156 1.00 0.00 N ATOM 76 CA GLU A 456 -3.753 -2.119 7.360 1.00 0.00 C ATOM 77 C GLU A 456 -3.385 -3.565 7.041 1.00 0.00 C ATOM 78 O GLU A 456 -2.328 -3.836 6.472 1.00 0.00 O ATOM 79 CB GLU A 456 -3.363 -1.790 8.803 1.00 0.00 C ATOM 80 CG GLU A 456 -3.433 -0.308 9.130 1.00 0.00 C ATOM 81 CD GLU A 456 -3.108 -0.016 10.582 1.00 0.00 C ATOM 82 OE1 GLU A 456 -1.914 0.172 10.896 1.00 0.00 O ATOM 83 OE2 GLU A 456 -4.047 0.023 11.404 1.00 0.00 O ATOM 0 H GLU A 456 -5.681 -1.586 7.991 1.00 0.00 H new ATOM 0 HA GLU A 456 -3.204 -1.464 6.683 1.00 0.00 H new ATOM 0 HB2 GLU A 456 -4.020 -2.334 9.481 1.00 0.00 H new ATOM 0 HB3 GLU A 456 -2.349 -2.146 8.987 1.00 0.00 H new ATOM 0 HG2 GLU A 456 -2.738 0.235 8.490 1.00 0.00 H new ATOM 0 HG3 GLU A 456 -4.432 0.064 8.903 1.00 0.00 H new ATOM 90 N ASP A 457 -4.265 -4.489 7.413 1.00 0.00 N ATOM 91 CA ASP A 457 -4.033 -5.908 7.167 1.00 0.00 C ATOM 92 C ASP A 457 -3.919 -6.191 5.673 1.00 0.00 C ATOM 93 O ASP A 457 -3.099 -7.004 5.247 1.00 0.00 O ATOM 94 CB ASP A 457 -5.163 -6.743 7.772 1.00 0.00 C ATOM 95 CG ASP A 457 -5.182 -6.681 9.287 1.00 0.00 C ATOM 96 OD1 ASP A 457 -4.167 -6.255 9.877 1.00 0.00 O ATOM 97 OD2 ASP A 457 -6.212 -7.060 9.884 1.00 0.00 O ATOM 0 H ASP A 457 -5.145 -4.281 7.886 1.00 0.00 H new ATOM 0 HA ASP A 457 -3.092 -6.184 7.642 1.00 0.00 H new ATOM 0 HB2 ASP A 457 -6.119 -6.390 7.385 1.00 0.00 H new ATOM 0 HB3 ASP A 457 -5.054 -7.780 7.455 1.00 0.00 H new ATOM 102 N ALA A 458 -4.747 -5.516 4.883 1.00 0.00 N ATOM 103 CA ALA A 458 -4.739 -5.697 3.436 1.00 0.00 C ATOM 104 C ALA A 458 -3.394 -5.298 2.839 1.00 0.00 C ATOM 105 O ALA A 458 -2.868 -5.979 1.959 1.00 0.00 O ATOM 106 CB ALA A 458 -5.861 -4.892 2.799 1.00 0.00 C ATOM 0 H ALA A 458 -5.432 -4.839 5.220 1.00 0.00 H new ATOM 0 HA ALA A 458 -4.899 -6.754 3.226 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -5.844 -5.036 1.719 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -6.820 -5.228 3.195 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -5.725 -3.835 3.026 1.00 0.00 H new ATOM 112 N VAL A 459 -2.842 -4.191 3.324 1.00 0.00 N ATOM 113 CA VAL A 459 -1.558 -3.701 2.838 1.00 0.00 C ATOM 114 C VAL A 459 -0.438 -4.686 3.156 1.00 0.00 C ATOM 115 O VAL A 459 0.444 -4.925 2.332 1.00 0.00 O ATOM 116 CB VAL A 459 -1.211 -2.330 3.451 1.00 0.00 C ATOM 117 CG1 VAL A 459 0.054 -1.766 2.823 1.00 0.00 C ATOM 118 CG2 VAL A 459 -2.374 -1.363 3.286 1.00 0.00 C ATOM 0 H VAL A 459 -3.264 -3.616 4.053 1.00 0.00 H new ATOM 0 HA VAL A 459 -1.649 -3.595 1.757 1.00 0.00 H new ATOM 0 HB VAL A 459 -1.028 -2.466 4.517 1.00 0.00 H new ATOM 0 HG11 VAL A 459 0.281 -0.798 3.269 1.00 0.00 H new ATOM 0 HG12 VAL A 459 0.884 -2.451 2.999 1.00 0.00 H new ATOM 0 HG13 VAL A 459 -0.095 -1.645 1.750 1.00 0.00 H new ATOM 0 HG21 VAL A 459 -2.112 -0.400 3.724 1.00 0.00 H new ATOM 0 HG22 VAL A 459 -2.591 -1.232 2.226 1.00 0.00 H new ATOM 0 HG23 VAL A 459 -3.254 -1.763 3.789 1.00 0.00 H new ATOM 128 N ARG A 460 -0.480 -5.254 4.357 1.00 0.00 N ATOM 129 CA ARG A 460 0.532 -6.213 4.785 1.00 0.00 C ATOM 130 C ARG A 460 0.567 -7.423 3.856 1.00 0.00 C ATOM 131 O ARG A 460 1.638 -7.936 3.531 1.00 0.00 O ATOM 132 CB ARG A 460 0.260 -6.666 6.221 1.00 0.00 C ATOM 133 CG ARG A 460 0.395 -5.553 7.246 1.00 0.00 C ATOM 134 CD ARG A 460 0.172 -6.068 8.659 1.00 0.00 C ATOM 135 NE ARG A 460 0.102 -4.980 9.633 1.00 0.00 N ATOM 136 CZ ARG A 460 -0.427 -5.106 10.848 1.00 0.00 C ATOM 137 NH1 ARG A 460 -0.931 -6.269 11.243 1.00 0.00 N ATOM 138 NH2 ARG A 460 -0.452 -4.067 11.671 1.00 0.00 N ATOM 0 H ARG A 460 -1.204 -5.067 5.051 1.00 0.00 H new ATOM 0 HA ARG A 460 1.503 -5.719 4.744 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -0.746 -7.081 6.278 1.00 0.00 H new ATOM 0 HB3 ARG A 460 0.951 -7.470 6.477 1.00 0.00 H new ATOM 0 HG2 ARG A 460 1.387 -5.107 7.172 1.00 0.00 H new ATOM 0 HG3 ARG A 460 -0.326 -4.765 7.027 1.00 0.00 H new ATOM 0 HD2 ARG A 460 -0.752 -6.645 8.693 1.00 0.00 H new ATOM 0 HD3 ARG A 460 0.981 -6.746 8.930 1.00 0.00 H new ATOM 0 HE ARG A 460 0.481 -4.071 9.366 1.00 0.00 H new ATOM 0 HH11 ARG A 460 -0.914 -7.072 10.614 1.00 0.00 H new ATOM 0 HH12 ARG A 460 -1.335 -6.359 12.175 1.00 0.00 H new ATOM 0 HH21 ARG A 460 -0.066 -3.171 11.373 1.00 0.00 H new ATOM 0 HH22 ARG A 460 -0.857 -4.163 12.602 1.00 0.00 H new ATOM 152 N ARG A 461 -0.609 -7.874 3.434 1.00 0.00 N ATOM 153 CA ARG A 461 -0.712 -9.025 2.545 1.00 0.00 C ATOM 154 C ARG A 461 0.001 -8.760 1.222 1.00 0.00 C ATOM 155 O ARG A 461 0.670 -9.639 0.680 1.00 0.00 O ATOM 156 CB ARG A 461 -2.181 -9.366 2.286 1.00 0.00 C ATOM 157 CG ARG A 461 -2.929 -9.817 3.530 1.00 0.00 C ATOM 158 CD ARG A 461 -4.351 -10.240 3.202 1.00 0.00 C ATOM 159 NE ARG A 461 -5.142 -10.481 4.407 1.00 0.00 N ATOM 160 CZ ARG A 461 -5.056 -11.587 5.142 1.00 0.00 C ATOM 161 NH1 ARG A 461 -4.216 -12.556 4.800 1.00 0.00 N ATOM 162 NH2 ARG A 461 -5.811 -11.725 6.223 1.00 0.00 N ATOM 0 H ARG A 461 -1.504 -7.460 3.693 1.00 0.00 H new ATOM 0 HA ARG A 461 -0.229 -9.872 3.033 1.00 0.00 H new ATOM 0 HB2 ARG A 461 -2.680 -8.491 1.869 1.00 0.00 H new ATOM 0 HB3 ARG A 461 -2.236 -10.153 1.534 1.00 0.00 H new ATOM 0 HG2 ARG A 461 -2.399 -10.649 3.993 1.00 0.00 H new ATOM 0 HG3 ARG A 461 -2.948 -9.006 4.258 1.00 0.00 H new ATOM 0 HD2 ARG A 461 -4.830 -9.466 2.602 1.00 0.00 H new ATOM 0 HD3 ARG A 461 -4.329 -11.145 2.595 1.00 0.00 H new ATOM 0 HE ARG A 461 -5.799 -9.759 4.702 1.00 0.00 H new ATOM 0 HH11 ARG A 461 -3.632 -12.455 3.970 1.00 0.00 H new ATOM 0 HH12 ARG A 461 -4.154 -13.401 5.367 1.00 0.00 H new ATOM 0 HH21 ARG A 461 -6.458 -10.983 6.491 1.00 0.00 H new ATOM 0 HH22 ARG A 461 -5.745 -12.573 6.786 1.00 0.00 H new ATOM 176 N TYR A 462 -0.147 -7.543 0.708 1.00 0.00 N ATOM 177 CA TYR A 462 0.484 -7.165 -0.552 1.00 0.00 C ATOM 178 C TYR A 462 1.995 -7.036 -0.388 1.00 0.00 C ATOM 179 O TYR A 462 2.762 -7.511 -1.226 1.00 0.00 O ATOM 180 CB TYR A 462 -0.100 -5.847 -1.063 1.00 0.00 C ATOM 181 CG TYR A 462 -1.569 -5.928 -1.410 1.00 0.00 C ATOM 182 CD1 TYR A 462 -2.007 -6.688 -2.488 1.00 0.00 C ATOM 183 CD2 TYR A 462 -2.518 -5.244 -0.660 1.00 0.00 C ATOM 184 CE1 TYR A 462 -3.349 -6.764 -2.808 1.00 0.00 C ATOM 185 CE2 TYR A 462 -3.862 -5.316 -0.974 1.00 0.00 C ATOM 186 CZ TYR A 462 -4.272 -6.077 -2.049 1.00 0.00 C ATOM 187 OH TYR A 462 -5.609 -6.150 -2.365 1.00 0.00 O ATOM 0 H TYR A 462 -0.697 -6.803 1.144 1.00 0.00 H new ATOM 0 HA TYR A 462 0.282 -7.951 -1.280 1.00 0.00 H new ATOM 0 HB2 TYR A 462 0.043 -5.078 -0.304 1.00 0.00 H new ATOM 0 HB3 TYR A 462 0.456 -5.531 -1.946 1.00 0.00 H new ATOM 0 HD1 TYR A 462 -1.287 -7.228 -3.085 1.00 0.00 H new ATOM 0 HD2 TYR A 462 -2.200 -4.647 0.182 1.00 0.00 H new ATOM 0 HE1 TYR A 462 -3.673 -7.359 -3.649 1.00 0.00 H new ATOM 0 HE2 TYR A 462 -4.588 -4.779 -0.381 1.00 0.00 H new ATOM 0 HH TYR A 462 -6.125 -5.609 -1.731 1.00 0.00 H new ATOM 197 N LEU A 463 2.415 -6.390 0.694 1.00 0.00 N ATOM 198 CA LEU A 463 3.835 -6.197 0.967 1.00 0.00 C ATOM 199 C LEU A 463 4.517 -7.525 1.278 1.00 0.00 C ATOM 200 O LEU A 463 5.679 -7.734 0.929 1.00 0.00 O ATOM 201 CB LEU A 463 4.023 -5.226 2.134 1.00 0.00 C ATOM 202 CG LEU A 463 3.534 -3.801 1.874 1.00 0.00 C ATOM 203 CD1 LEU A 463 3.475 -3.012 3.172 1.00 0.00 C ATOM 204 CD2 LEU A 463 4.435 -3.105 0.865 1.00 0.00 C ATOM 0 H LEU A 463 1.793 -5.991 1.397 1.00 0.00 H new ATOM 0 HA LEU A 463 4.297 -5.775 0.074 1.00 0.00 H new ATOM 0 HB2 LEU A 463 3.498 -5.621 3.004 1.00 0.00 H new ATOM 0 HB3 LEU A 463 5.082 -5.190 2.390 1.00 0.00 H new ATOM 0 HG LEU A 463 2.528 -3.852 1.458 1.00 0.00 H new ATOM 0 HD11 LEU A 463 3.125 -2.000 2.967 1.00 0.00 H new ATOM 0 HD12 LEU A 463 2.789 -3.500 3.864 1.00 0.00 H new ATOM 0 HD13 LEU A 463 4.469 -2.969 3.617 1.00 0.00 H new ATOM 0 HD21 LEU A 463 4.072 -2.092 0.692 1.00 0.00 H new ATOM 0 HD22 LEU A 463 5.453 -3.065 1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 463 4.426 -3.659 -0.074 1.00 0.00 H new ATOM 216 N THR A 464 3.789 -8.420 1.937 1.00 0.00 N ATOM 217 CA THR A 464 4.325 -9.726 2.295 1.00 0.00 C ATOM 218 C THR A 464 4.680 -10.530 1.048 1.00 0.00 C ATOM 219 O THR A 464 5.600 -11.346 1.065 1.00 0.00 O ATOM 220 CB THR A 464 3.313 -10.497 3.143 1.00 0.00 C ATOM 221 OG1 THR A 464 1.992 -10.250 2.696 1.00 0.00 O ATOM 222 CG2 THR A 464 3.374 -10.147 4.614 1.00 0.00 C ATOM 0 H THR A 464 2.826 -8.264 2.234 1.00 0.00 H new ATOM 0 HA THR A 464 5.235 -9.572 2.875 1.00 0.00 H new ATOM 0 HB THR A 464 3.579 -11.547 3.025 1.00 0.00 H new ATOM 0 HG1 THR A 464 1.984 -10.187 1.718 1.00 0.00 H new ATOM 0 HG21 THR A 464 2.630 -10.729 5.158 1.00 0.00 H new ATOM 0 HG22 THR A 464 4.367 -10.375 5.001 1.00 0.00 H new ATOM 0 HG23 THR A 464 3.169 -9.084 4.744 1.00 0.00 H new ATOM 230 N ARG A 465 3.944 -10.292 -0.033 1.00 0.00 N ATOM 231 CA ARG A 465 4.183 -10.994 -1.289 1.00 0.00 C ATOM 232 C ARG A 465 5.402 -10.426 -2.004 1.00 0.00 C ATOM 233 O ARG A 465 6.412 -11.109 -2.173 1.00 0.00 O ATOM 234 CB ARG A 465 2.954 -10.897 -2.194 1.00 0.00 C ATOM 235 CG ARG A 465 3.060 -11.738 -3.456 1.00 0.00 C ATOM 236 CD ARG A 465 1.856 -11.538 -4.361 1.00 0.00 C ATOM 237 NE ARG A 465 0.608 -11.928 -3.708 1.00 0.00 N ATOM 238 CZ ARG A 465 -0.529 -12.162 -4.359 1.00 0.00 C ATOM 239 NH1 ARG A 465 -0.580 -12.047 -5.681 1.00 0.00 N ATOM 240 NH2 ARG A 465 -1.617 -12.512 -3.688 1.00 0.00 N ATOM 0 H ARG A 465 3.178 -9.619 -0.065 1.00 0.00 H new ATOM 0 HA ARG A 465 4.374 -12.043 -1.060 1.00 0.00 H new ATOM 0 HB2 ARG A 465 2.074 -11.209 -1.632 1.00 0.00 H new ATOM 0 HB3 ARG A 465 2.800 -9.855 -2.474 1.00 0.00 H new ATOM 0 HG2 ARG A 465 3.970 -11.474 -3.995 1.00 0.00 H new ATOM 0 HG3 ARG A 465 3.143 -12.791 -3.187 1.00 0.00 H new ATOM 0 HD2 ARG A 465 1.797 -10.491 -4.659 1.00 0.00 H new ATOM 0 HD3 ARG A 465 1.986 -12.122 -5.272 1.00 0.00 H new ATOM 0 HE ARG A 465 0.608 -12.027 -2.693 1.00 0.00 H new ATOM 0 HH11 ARG A 465 0.255 -11.778 -6.202 1.00 0.00 H new ATOM 0 HH12 ARG A 465 -1.454 -12.227 -6.175 1.00 0.00 H new ATOM 0 HH21 ARG A 465 -1.583 -12.602 -2.673 1.00 0.00 H new ATOM 0 HH22 ARG A 465 -2.488 -12.691 -4.187 1.00 0.00 H new ATOM 254 N LYS A 466 5.297 -9.172 -2.420 1.00 0.00 N ATOM 255 CA LYS A 466 6.387 -8.501 -3.117 1.00 0.00 C ATOM 256 C LYS A 466 6.424 -7.015 -2.767 1.00 0.00 C ATOM 257 O LYS A 466 5.384 -6.398 -2.538 1.00 0.00 O ATOM 258 CB LYS A 466 6.238 -8.678 -4.630 1.00 0.00 C ATOM 259 CG LYS A 466 7.562 -8.851 -5.355 1.00 0.00 C ATOM 260 CD LYS A 466 7.408 -9.710 -6.599 1.00 0.00 C ATOM 261 CE LYS A 466 8.488 -9.405 -7.624 1.00 0.00 C ATOM 262 NZ LYS A 466 8.112 -9.880 -8.985 1.00 0.00 N ATOM 0 H LYS A 466 4.466 -8.596 -2.287 1.00 0.00 H new ATOM 0 HA LYS A 466 7.325 -8.955 -2.796 1.00 0.00 H new ATOM 0 HB2 LYS A 466 5.610 -9.547 -4.826 1.00 0.00 H new ATOM 0 HB3 LYS A 466 5.719 -7.811 -5.040 1.00 0.00 H new ATOM 0 HG2 LYS A 466 7.956 -7.874 -5.633 1.00 0.00 H new ATOM 0 HG3 LYS A 466 8.289 -9.308 -4.683 1.00 0.00 H new ATOM 0 HD2 LYS A 466 7.454 -10.763 -6.323 1.00 0.00 H new ATOM 0 HD3 LYS A 466 6.427 -9.539 -7.041 1.00 0.00 H new ATOM 0 HE2 LYS A 466 8.669 -8.331 -7.652 1.00 0.00 H new ATOM 0 HE3 LYS A 466 9.422 -9.878 -7.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 8.875 -9.653 -9.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 7.964 -10.909 -8.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 7.235 -9.410 -9.287 1.00 0.00 H new ATOM 276 N PRO A 467 7.628 -6.417 -2.721 1.00 0.00 N ATOM 277 CA PRO A 467 7.789 -4.996 -2.397 1.00 0.00 C ATOM 278 C PRO A 467 6.954 -4.099 -3.305 1.00 0.00 C ATOM 279 O PRO A 467 6.942 -4.273 -4.523 1.00 0.00 O ATOM 280 CB PRO A 467 9.282 -4.742 -2.623 1.00 0.00 C ATOM 281 CG PRO A 467 9.924 -6.078 -2.475 1.00 0.00 C ATOM 282 CD PRO A 467 8.921 -7.076 -2.981 1.00 0.00 C ATOM 0 HA PRO A 467 7.455 -4.770 -1.384 1.00 0.00 H new ATOM 0 HB2 PRO A 467 9.466 -4.322 -3.612 1.00 0.00 H new ATOM 0 HB3 PRO A 467 9.676 -4.031 -1.897 1.00 0.00 H new ATOM 0 HG2 PRO A 467 10.851 -6.131 -3.047 1.00 0.00 H new ATOM 0 HG3 PRO A 467 10.180 -6.275 -1.434 1.00 0.00 H new ATOM 0 HD2 PRO A 467 9.060 -7.284 -4.042 1.00 0.00 H new ATOM 0 HD3 PRO A 467 9.000 -8.028 -2.456 1.00 0.00 H new ATOM 290 N MET A 468 6.258 -3.140 -2.704 1.00 0.00 N ATOM 291 CA MET A 468 5.420 -2.217 -3.460 1.00 0.00 C ATOM 292 C MET A 468 5.658 -0.777 -3.017 1.00 0.00 C ATOM 293 O MET A 468 6.259 -0.530 -1.971 1.00 0.00 O ATOM 294 CB MET A 468 3.944 -2.578 -3.289 1.00 0.00 C ATOM 295 CG MET A 468 3.587 -3.952 -3.832 1.00 0.00 C ATOM 296 SD MET A 468 1.809 -4.250 -3.853 1.00 0.00 S ATOM 297 CE MET A 468 1.305 -3.195 -5.209 1.00 0.00 C ATOM 0 H MET A 468 6.258 -2.982 -1.696 1.00 0.00 H new ATOM 0 HA MET A 468 5.688 -2.303 -4.513 1.00 0.00 H new ATOM 0 HB2 MET A 468 3.689 -2.538 -2.230 1.00 0.00 H new ATOM 0 HB3 MET A 468 3.334 -1.828 -3.793 1.00 0.00 H new ATOM 0 HG2 MET A 468 3.980 -4.052 -4.844 1.00 0.00 H new ATOM 0 HG3 MET A 468 4.072 -4.716 -3.224 1.00 0.00 H new ATOM 0 HE1 MET A 468 0.325 -3.508 -5.568 1.00 0.00 H new ATOM 0 HE2 MET A 468 1.253 -2.162 -4.866 1.00 0.00 H new ATOM 0 HE3 MET A 468 2.030 -3.273 -6.019 1.00 0.00 H new ATOM 307 N THR A 469 5.182 0.169 -3.819 1.00 0.00 N ATOM 308 CA THR A 469 5.341 1.586 -3.511 1.00 0.00 C ATOM 309 C THR A 469 3.984 2.271 -3.391 1.00 0.00 C ATOM 310 O THR A 469 2.957 1.706 -3.768 1.00 0.00 O ATOM 311 CB THR A 469 6.180 2.273 -4.589 1.00 0.00 C ATOM 312 OG1 THR A 469 6.428 3.625 -4.247 1.00 0.00 O ATOM 313 CG2 THR A 469 5.530 2.257 -5.956 1.00 0.00 C ATOM 0 H THR A 469 4.682 -0.020 -4.688 1.00 0.00 H new ATOM 0 HA THR A 469 5.856 1.669 -2.554 1.00 0.00 H new ATOM 0 HB THR A 469 7.107 1.702 -4.639 1.00 0.00 H new ATOM 0 HG1 THR A 469 7.376 3.738 -4.026 1.00 0.00 H new ATOM 0 HG21 THR A 469 6.178 2.761 -6.673 1.00 0.00 H new ATOM 0 HG22 THR A 469 5.372 1.226 -6.272 1.00 0.00 H new ATOM 0 HG23 THR A 469 4.571 2.773 -5.909 1.00 0.00 H new ATOM 321 N THR A 470 3.986 3.491 -2.862 1.00 0.00 N ATOM 322 CA THR A 470 2.754 4.254 -2.689 1.00 0.00 C ATOM 323 C THR A 470 1.990 4.373 -4.005 1.00 0.00 C ATOM 324 O THR A 470 0.770 4.212 -4.042 1.00 0.00 O ATOM 325 CB THR A 470 3.067 5.648 -2.143 1.00 0.00 C ATOM 326 OG1 THR A 470 4.070 6.277 -2.920 1.00 0.00 O ATOM 327 CG2 THR A 470 3.539 5.635 -0.705 1.00 0.00 C ATOM 0 H THR A 470 4.828 3.973 -2.546 1.00 0.00 H new ATOM 0 HA THR A 470 2.127 3.720 -1.975 1.00 0.00 H new ATOM 0 HB THR A 470 2.127 6.197 -2.194 1.00 0.00 H new ATOM 0 HG1 THR A 470 4.255 7.168 -2.556 1.00 0.00 H new ATOM 0 HG21 THR A 470 3.744 6.655 -0.380 1.00 0.00 H new ATOM 0 HG22 THR A 470 2.765 5.201 -0.072 1.00 0.00 H new ATOM 0 HG23 THR A 470 4.449 5.040 -0.626 1.00 0.00 H new ATOM 335 N LYS A 471 2.715 4.655 -5.082 1.00 0.00 N ATOM 336 CA LYS A 471 2.105 4.795 -6.399 1.00 0.00 C ATOM 337 C LYS A 471 1.386 3.513 -6.807 1.00 0.00 C ATOM 338 O LYS A 471 0.273 3.553 -7.330 1.00 0.00 O ATOM 339 CB LYS A 471 3.167 5.151 -7.441 1.00 0.00 C ATOM 340 CG LYS A 471 2.598 5.398 -8.829 1.00 0.00 C ATOM 341 CD LYS A 471 2.904 4.244 -9.772 1.00 0.00 C ATOM 342 CE LYS A 471 2.293 4.471 -11.145 1.00 0.00 C ATOM 343 NZ LYS A 471 2.936 3.622 -12.186 1.00 0.00 N ATOM 0 H LYS A 471 3.726 4.791 -5.069 1.00 0.00 H new ATOM 0 HA LYS A 471 1.372 5.600 -6.347 1.00 0.00 H new ATOM 0 HB2 LYS A 471 3.702 6.042 -7.113 1.00 0.00 H new ATOM 0 HB3 LYS A 471 3.897 4.343 -7.495 1.00 0.00 H new ATOM 0 HG2 LYS A 471 1.519 5.537 -8.761 1.00 0.00 H new ATOM 0 HG3 LYS A 471 3.014 6.320 -9.235 1.00 0.00 H new ATOM 0 HD2 LYS A 471 3.983 4.127 -9.868 1.00 0.00 H new ATOM 0 HD3 LYS A 471 2.519 3.316 -9.350 1.00 0.00 H new ATOM 0 HE2 LYS A 471 1.226 4.254 -11.108 1.00 0.00 H new ATOM 0 HE3 LYS A 471 2.395 5.521 -11.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 2.491 3.806 -13.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 3.950 3.847 -12.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 2.817 2.619 -11.938 1.00 0.00 H new ATOM 357 N ASP A 472 2.031 2.376 -6.564 1.00 0.00 N ATOM 358 CA ASP A 472 1.453 1.081 -6.906 1.00 0.00 C ATOM 359 C ASP A 472 0.188 0.818 -6.098 1.00 0.00 C ATOM 360 O ASP A 472 -0.774 0.238 -6.603 1.00 0.00 O ATOM 361 CB ASP A 472 2.470 -0.036 -6.662 1.00 0.00 C ATOM 362 CG ASP A 472 3.644 0.031 -7.619 1.00 0.00 C ATOM 363 OD1 ASP A 472 3.540 0.743 -8.640 1.00 0.00 O ATOM 364 OD2 ASP A 472 4.669 -0.631 -7.349 1.00 0.00 O ATOM 0 H ASP A 472 2.954 2.325 -6.132 1.00 0.00 H new ATOM 0 HA ASP A 472 1.189 1.098 -7.963 1.00 0.00 H new ATOM 0 HB2 ASP A 472 2.836 0.027 -5.637 1.00 0.00 H new ATOM 0 HB3 ASP A 472 1.976 -1.002 -6.765 1.00 0.00 H new ATOM 369 N LEU A 473 0.196 1.246 -4.841 1.00 0.00 N ATOM 370 CA LEU A 473 -0.951 1.056 -3.961 1.00 0.00 C ATOM 371 C LEU A 473 -2.191 1.739 -4.526 1.00 0.00 C ATOM 372 O LEU A 473 -3.289 1.182 -4.494 1.00 0.00 O ATOM 373 CB LEU A 473 -0.646 1.602 -2.565 1.00 0.00 C ATOM 374 CG LEU A 473 0.471 0.875 -1.815 1.00 0.00 C ATOM 375 CD1 LEU A 473 0.738 1.543 -0.475 1.00 0.00 C ATOM 376 CD2 LEU A 473 0.112 -0.591 -1.620 1.00 0.00 C ATOM 0 H LEU A 473 0.984 1.727 -4.408 1.00 0.00 H new ATOM 0 HA LEU A 473 -1.148 -0.014 -3.891 1.00 0.00 H new ATOM 0 HB2 LEU A 473 -0.378 2.655 -2.654 1.00 0.00 H new ATOM 0 HB3 LEU A 473 -1.556 1.554 -1.966 1.00 0.00 H new ATOM 0 HG LEU A 473 1.381 0.931 -2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 473 1.536 1.012 0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 473 1.038 2.578 -0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 473 -0.168 1.519 0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 473 0.917 -1.095 -1.085 1.00 0.00 H new ATOM 0 HD22 LEU A 473 -0.810 -0.666 -1.043 1.00 0.00 H new ATOM 0 HD23 LEU A 473 -0.029 -1.064 -2.592 1.00 0.00 H new ATOM 388 N LEU A 474 -2.010 2.949 -5.045 1.00 0.00 N ATOM 389 CA LEU A 474 -3.115 3.709 -5.618 1.00 0.00 C ATOM 390 C LEU A 474 -3.774 2.938 -6.758 1.00 0.00 C ATOM 391 O LEU A 474 -4.999 2.893 -6.863 1.00 0.00 O ATOM 392 CB LEU A 474 -2.620 5.066 -6.123 1.00 0.00 C ATOM 393 CG LEU A 474 -1.978 5.957 -5.059 1.00 0.00 C ATOM 394 CD1 LEU A 474 -1.586 7.301 -5.654 1.00 0.00 C ATOM 395 CD2 LEU A 474 -2.925 6.148 -3.884 1.00 0.00 C ATOM 0 H LEU A 474 -1.108 3.424 -5.081 1.00 0.00 H new ATOM 0 HA LEU A 474 -3.857 3.869 -4.836 1.00 0.00 H new ATOM 0 HB2 LEU A 474 -1.895 4.898 -6.920 1.00 0.00 H new ATOM 0 HB3 LEU A 474 -3.461 5.601 -6.564 1.00 0.00 H new ATOM 0 HG LEU A 474 -1.075 5.466 -4.697 1.00 0.00 H new ATOM 0 HD11 LEU A 474 -1.131 7.922 -4.882 1.00 0.00 H new ATOM 0 HD12 LEU A 474 -0.872 7.146 -6.463 1.00 0.00 H new ATOM 0 HD13 LEU A 474 -2.474 7.799 -6.044 1.00 0.00 H new ATOM 0 HD21 LEU A 474 -2.453 6.785 -3.136 1.00 0.00 H new ATOM 0 HD22 LEU A 474 -3.845 6.618 -4.231 1.00 0.00 H new ATOM 0 HD23 LEU A 474 -3.156 5.179 -3.442 1.00 0.00 H new ATOM 407 N LYS A 475 -2.951 2.333 -7.609 1.00 0.00 N ATOM 408 CA LYS A 475 -3.453 1.563 -8.742 1.00 0.00 C ATOM 409 C LYS A 475 -3.972 0.202 -8.288 1.00 0.00 C ATOM 410 O LYS A 475 -5.049 -0.231 -8.696 1.00 0.00 O ATOM 411 CB LYS A 475 -2.350 1.379 -9.786 1.00 0.00 C ATOM 412 CG LYS A 475 -2.871 1.025 -11.169 1.00 0.00 C ATOM 413 CD LYS A 475 -3.495 -0.361 -11.193 1.00 0.00 C ATOM 414 CE LYS A 475 -3.450 -0.968 -12.586 1.00 0.00 C ATOM 415 NZ LYS A 475 -4.201 -0.145 -13.574 1.00 0.00 N ATOM 0 H LYS A 475 -1.934 2.361 -7.536 1.00 0.00 H new ATOM 0 HA LYS A 475 -4.280 2.116 -9.189 1.00 0.00 H new ATOM 0 HB2 LYS A 475 -1.767 2.298 -9.851 1.00 0.00 H new ATOM 0 HB3 LYS A 475 -1.672 0.594 -9.451 1.00 0.00 H new ATOM 0 HG2 LYS A 475 -3.610 1.763 -11.480 1.00 0.00 H new ATOM 0 HG3 LYS A 475 -2.054 1.069 -11.889 1.00 0.00 H new ATOM 0 HD2 LYS A 475 -2.968 -1.011 -10.495 1.00 0.00 H new ATOM 0 HD3 LYS A 475 -4.529 -0.301 -10.854 1.00 0.00 H new ATOM 0 HE2 LYS A 475 -2.413 -1.064 -12.907 1.00 0.00 H new ATOM 0 HE3 LYS A 475 -3.869 -1.974 -12.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 -4.233 -0.642 -14.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 -5.170 0.011 -13.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 -3.725 0.772 -13.695 1.00 0.00 H new ATOM 429 N LYS A 476 -3.195 -0.469 -7.444 1.00 0.00 N ATOM 430 CA LYS A 476 -3.570 -1.783 -6.934 1.00 0.00 C ATOM 431 C LYS A 476 -4.887 -1.725 -6.165 1.00 0.00 C ATOM 432 O LYS A 476 -5.593 -2.727 -6.051 1.00 0.00 O ATOM 433 CB LYS A 476 -2.466 -2.336 -6.031 1.00 0.00 C ATOM 434 CG LYS A 476 -2.715 -3.762 -5.569 1.00 0.00 C ATOM 435 CD LYS A 476 -2.450 -4.763 -6.681 1.00 0.00 C ATOM 436 CE LYS A 476 -2.608 -6.193 -6.193 1.00 0.00 C ATOM 437 NZ LYS A 476 -3.946 -6.752 -6.531 1.00 0.00 N ATOM 0 H LYS A 476 -2.300 -0.123 -7.098 1.00 0.00 H new ATOM 0 HA LYS A 476 -3.703 -2.446 -7.789 1.00 0.00 H new ATOM 0 HB2 LYS A 476 -1.517 -2.297 -6.566 1.00 0.00 H new ATOM 0 HB3 LYS A 476 -2.366 -1.692 -5.157 1.00 0.00 H new ATOM 0 HG2 LYS A 476 -2.074 -3.986 -4.716 1.00 0.00 H new ATOM 0 HG3 LYS A 476 -3.746 -3.860 -5.228 1.00 0.00 H new ATOM 0 HD2 LYS A 476 -3.138 -4.581 -7.507 1.00 0.00 H new ATOM 0 HD3 LYS A 476 -1.441 -4.619 -7.069 1.00 0.00 H new ATOM 0 HE2 LYS A 476 -1.832 -6.816 -6.638 1.00 0.00 H new ATOM 0 HE3 LYS A 476 -2.463 -6.226 -5.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 -4.013 -7.729 -6.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 -4.687 -6.173 -6.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 -4.075 -6.745 -7.563 1.00 0.00 H new ATOM 451 N PHE A 477 -5.213 -0.549 -5.636 1.00 0.00 N ATOM 452 CA PHE A 477 -6.445 -0.371 -4.874 1.00 0.00 C ATOM 453 C PHE A 477 -7.580 0.139 -5.760 1.00 0.00 C ATOM 454 O PHE A 477 -8.526 0.758 -5.273 1.00 0.00 O ATOM 455 CB PHE A 477 -6.215 0.598 -3.713 1.00 0.00 C ATOM 456 CG PHE A 477 -5.401 0.012 -2.594 1.00 0.00 C ATOM 457 CD1 PHE A 477 -5.670 -1.261 -2.117 1.00 0.00 C ATOM 458 CD2 PHE A 477 -4.368 0.735 -2.019 1.00 0.00 C ATOM 459 CE1 PHE A 477 -4.923 -1.802 -1.088 1.00 0.00 C ATOM 460 CE2 PHE A 477 -3.618 0.199 -0.990 1.00 0.00 C ATOM 461 CZ PHE A 477 -3.895 -1.071 -0.524 1.00 0.00 C ATOM 0 H PHE A 477 -4.643 0.293 -5.721 1.00 0.00 H new ATOM 0 HA PHE A 477 -6.735 -1.345 -4.479 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -5.713 1.489 -4.089 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -7.180 0.918 -3.320 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -6.472 -1.837 -2.554 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -4.147 1.729 -2.379 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -5.142 -2.795 -0.725 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -2.816 0.773 -0.550 1.00 0.00 H new ATOM 0 HZ PHE A 477 -3.309 -1.492 0.280 1.00 0.00 H new ATOM 471 N GLN A 478 -7.484 -0.124 -7.060 1.00 0.00 N ATOM 472 CA GLN A 478 -8.511 0.309 -8.002 1.00 0.00 C ATOM 473 C GLN A 478 -9.408 -0.857 -8.405 1.00 0.00 C ATOM 474 O GLN A 478 -10.011 -0.846 -9.478 1.00 0.00 O ATOM 475 CB GLN A 478 -7.868 0.925 -9.246 1.00 0.00 C ATOM 476 CG GLN A 478 -7.020 2.150 -8.949 1.00 0.00 C ATOM 477 CD GLN A 478 -6.678 2.939 -10.198 1.00 0.00 C ATOM 478 OE1 GLN A 478 -5.843 2.360 -11.053 1.00 0.00 O flip ATOM 479 NE2 GLN A 478 -7.160 4.055 -10.393 1.00 0.00 N flip ATOM 0 H GLN A 478 -6.708 -0.633 -7.484 1.00 0.00 H new ATOM 0 HA GLN A 478 -9.124 1.062 -7.508 1.00 0.00 H new ATOM 0 HB2 GLN A 478 -7.247 0.173 -9.734 1.00 0.00 H new ATOM 0 HB3 GLN A 478 -8.652 1.199 -9.952 1.00 0.00 H new ATOM 0 HG2 GLN A 478 -7.553 2.795 -8.250 1.00 0.00 H new ATOM 0 HG3 GLN A 478 -6.099 1.839 -8.457 1.00 0.00 H new ATOM 0 HE21 GLN A 478 -7.798 4.462 -9.709 1.00 0.00 H new ATOM 0 HE22 GLN A 478 -6.922 4.573 -11.239 1.00 0.00 H new ATOM 488 N THR A 479 -9.492 -1.864 -7.540 1.00 0.00 N ATOM 489 CA THR A 479 -10.315 -3.037 -7.809 1.00 0.00 C ATOM 490 C THR A 479 -11.190 -3.377 -6.607 1.00 0.00 C ATOM 491 O THR A 479 -11.123 -2.716 -5.570 1.00 0.00 O ATOM 492 CB THR A 479 -9.432 -4.233 -8.166 1.00 0.00 C ATOM 493 OG1 THR A 479 -8.766 -4.725 -7.017 1.00 0.00 O ATOM 494 CG2 THR A 479 -8.379 -3.912 -9.204 1.00 0.00 C ATOM 0 H THR A 479 -9.000 -1.890 -6.647 1.00 0.00 H new ATOM 0 HA THR A 479 -10.965 -2.808 -8.654 1.00 0.00 H new ATOM 0 HB THR A 479 -10.111 -4.979 -8.580 1.00 0.00 H new ATOM 0 HG1 THR A 479 -8.207 -5.491 -7.266 1.00 0.00 H new ATOM 0 HG21 THR A 479 -7.788 -4.804 -9.411 1.00 0.00 H new ATOM 0 HG22 THR A 479 -8.863 -3.577 -10.121 1.00 0.00 H new ATOM 0 HG23 THR A 479 -7.727 -3.124 -8.829 1.00 0.00 H new ATOM 502 N LYS A 480 -12.010 -4.413 -6.755 1.00 0.00 N ATOM 503 CA LYS A 480 -12.902 -4.846 -5.684 1.00 0.00 C ATOM 504 C LYS A 480 -13.931 -3.768 -5.354 1.00 0.00 C ATOM 505 O LYS A 480 -14.454 -3.718 -4.241 1.00 0.00 O ATOM 506 CB LYS A 480 -12.096 -5.197 -4.431 1.00 0.00 C ATOM 507 CG LYS A 480 -11.035 -6.259 -4.667 1.00 0.00 C ATOM 508 CD LYS A 480 -10.270 -6.576 -3.393 1.00 0.00 C ATOM 509 CE LYS A 480 -11.153 -7.273 -2.371 1.00 0.00 C ATOM 510 NZ LYS A 480 -11.679 -6.324 -1.351 1.00 0.00 N ATOM 0 H LYS A 480 -12.075 -4.969 -7.607 1.00 0.00 H new ATOM 0 HA LYS A 480 -13.433 -5.733 -6.029 1.00 0.00 H new ATOM 0 HB2 LYS A 480 -11.616 -4.294 -4.053 1.00 0.00 H new ATOM 0 HB3 LYS A 480 -12.779 -5.544 -3.655 1.00 0.00 H new ATOM 0 HG2 LYS A 480 -11.505 -7.167 -5.045 1.00 0.00 H new ATOM 0 HG3 LYS A 480 -10.340 -5.916 -5.434 1.00 0.00 H new ATOM 0 HD2 LYS A 480 -9.415 -7.210 -3.629 1.00 0.00 H new ATOM 0 HD3 LYS A 480 -9.875 -5.654 -2.966 1.00 0.00 H new ATOM 0 HE2 LYS A 480 -11.986 -7.756 -2.881 1.00 0.00 H new ATOM 0 HE3 LYS A 480 -10.583 -8.059 -1.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 480 -12.627 -6.628 -1.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 480 -11.043 -6.311 -0.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 480 -11.735 -5.370 -1.761 1.00 0.00 H new ATOM 524 N LYS A 481 -14.220 -2.910 -6.329 1.00 0.00 N ATOM 525 CA LYS A 481 -15.191 -1.835 -6.142 1.00 0.00 C ATOM 526 C LYS A 481 -14.889 -1.032 -4.878 1.00 0.00 C ATOM 527 O LYS A 481 -15.681 -1.017 -3.935 1.00 0.00 O ATOM 528 CB LYS A 481 -16.608 -2.408 -6.071 1.00 0.00 C ATOM 529 CG LYS A 481 -17.693 -1.345 -6.027 1.00 0.00 C ATOM 530 CD LYS A 481 -17.908 -0.712 -7.393 1.00 0.00 C ATOM 531 CE LYS A 481 -19.062 0.277 -7.373 1.00 0.00 C ATOM 532 NZ LYS A 481 -19.691 0.423 -8.715 1.00 0.00 N ATOM 0 H LYS A 481 -13.796 -2.938 -7.256 1.00 0.00 H new ATOM 0 HA LYS A 481 -15.118 -1.164 -6.998 1.00 0.00 H new ATOM 0 HB2 LYS A 481 -16.775 -3.050 -6.936 1.00 0.00 H new ATOM 0 HB3 LYS A 481 -16.692 -3.038 -5.185 1.00 0.00 H new ATOM 0 HG2 LYS A 481 -18.626 -1.790 -5.680 1.00 0.00 H new ATOM 0 HG3 LYS A 481 -17.420 -0.574 -5.306 1.00 0.00 H new ATOM 0 HD2 LYS A 481 -16.997 -0.203 -7.707 1.00 0.00 H new ATOM 0 HD3 LYS A 481 -18.108 -1.491 -8.129 1.00 0.00 H new ATOM 0 HE2 LYS A 481 -19.812 -0.054 -6.655 1.00 0.00 H new ATOM 0 HE3 LYS A 481 -18.702 1.248 -7.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 -20.473 1.106 -8.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 -18.982 0.764 -9.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 -20.057 -0.498 -9.029 1.00 0.00 H new ATOM 546 N THR A 482 -13.739 -0.366 -4.866 1.00 0.00 N ATOM 547 CA THR A 482 -13.335 0.438 -3.718 1.00 0.00 C ATOM 548 C THR A 482 -14.347 1.546 -3.446 1.00 0.00 C ATOM 549 O THR A 482 -14.626 1.875 -2.293 1.00 0.00 O ATOM 550 CB THR A 482 -11.951 1.044 -3.952 1.00 0.00 C ATOM 551 OG1 THR A 482 -11.926 1.787 -5.159 1.00 0.00 O ATOM 552 CG2 THR A 482 -10.849 0.010 -4.027 1.00 0.00 C ATOM 0 H THR A 482 -13.071 -0.367 -5.637 1.00 0.00 H new ATOM 0 HA THR A 482 -13.295 -0.216 -2.847 1.00 0.00 H new ATOM 0 HB THR A 482 -11.767 1.685 -3.090 1.00 0.00 H new ATOM 0 HG1 THR A 482 -11.033 2.168 -5.290 1.00 0.00 H new ATOM 0 HG21 THR A 482 -9.894 0.508 -4.194 1.00 0.00 H new ATOM 0 HG22 THR A 482 -10.809 -0.547 -3.091 1.00 0.00 H new ATOM 0 HG23 THR A 482 -11.049 -0.676 -4.850 1.00 0.00 H new ATOM 560 N GLY A 483 -14.890 2.122 -4.514 1.00 0.00 N ATOM 561 CA GLY A 483 -15.860 3.191 -4.367 1.00 0.00 C ATOM 562 C GLY A 483 -15.321 4.353 -3.555 1.00 0.00 C ATOM 563 O GLY A 483 -16.087 5.132 -2.989 1.00 0.00 O ATOM 0 H GLY A 483 -14.675 1.867 -5.478 1.00 0.00 H new ATOM 0 HA2 GLY A 483 -16.156 3.547 -5.354 1.00 0.00 H new ATOM 0 HA3 GLY A 483 -16.757 2.800 -3.886 1.00 0.00 H new ATOM 567 N LEU A 484 -13.998 4.465 -3.496 1.00 0.00 N ATOM 568 CA LEU A 484 -13.351 5.535 -2.747 1.00 0.00 C ATOM 569 C LEU A 484 -12.568 6.454 -3.679 1.00 0.00 C ATOM 570 O LEU A 484 -11.801 5.992 -4.523 1.00 0.00 O ATOM 571 CB LEU A 484 -12.420 4.943 -1.685 1.00 0.00 C ATOM 572 CG LEU A 484 -11.557 5.959 -0.935 1.00 0.00 C ATOM 573 CD1 LEU A 484 -12.422 7.062 -0.344 1.00 0.00 C ATOM 574 CD2 LEU A 484 -10.751 5.270 0.155 1.00 0.00 C ATOM 0 H LEU A 484 -13.352 3.826 -3.959 1.00 0.00 H new ATOM 0 HA LEU A 484 -14.124 6.126 -2.255 1.00 0.00 H new ATOM 0 HB2 LEU A 484 -13.023 4.397 -0.960 1.00 0.00 H new ATOM 0 HB3 LEU A 484 -11.764 4.217 -2.164 1.00 0.00 H new ATOM 0 HG LEU A 484 -10.863 6.411 -1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 484 -11.790 7.775 0.186 1.00 0.00 H new ATOM 0 HD12 LEU A 484 -12.955 7.574 -1.145 1.00 0.00 H new ATOM 0 HD13 LEU A 484 -13.141 6.628 0.351 1.00 0.00 H new ATOM 0 HD21 LEU A 484 -10.143 6.007 0.679 1.00 0.00 H new ATOM 0 HD22 LEU A 484 -11.429 4.791 0.861 1.00 0.00 H new ATOM 0 HD23 LEU A 484 -10.103 4.517 -0.293 1.00 0.00 H new ATOM 586 N SER A 485 -12.766 7.759 -3.519 1.00 0.00 N ATOM 587 CA SER A 485 -12.078 8.744 -4.346 1.00 0.00 C ATOM 588 C SER A 485 -10.565 8.614 -4.202 1.00 0.00 C ATOM 589 O SER A 485 -10.063 8.225 -3.148 1.00 0.00 O ATOM 590 CB SER A 485 -12.519 10.158 -3.965 1.00 0.00 C ATOM 591 OG SER A 485 -13.923 10.306 -4.089 1.00 0.00 O ATOM 0 H SER A 485 -13.397 8.159 -2.824 1.00 0.00 H new ATOM 0 HA SER A 485 -12.343 8.557 -5.387 1.00 0.00 H new ATOM 0 HB2 SER A 485 -12.217 10.373 -2.940 1.00 0.00 H new ATOM 0 HB3 SER A 485 -12.016 10.884 -4.604 1.00 0.00 H new ATOM 0 HG SER A 485 -14.179 11.218 -3.838 1.00 0.00 H new ATOM 597 N SER A 486 -9.844 8.943 -5.269 1.00 0.00 N ATOM 598 CA SER A 486 -8.388 8.863 -5.261 1.00 0.00 C ATOM 599 C SER A 486 -7.793 9.834 -4.248 1.00 0.00 C ATOM 600 O SER A 486 -6.781 9.541 -3.612 1.00 0.00 O ATOM 601 CB SER A 486 -7.833 9.159 -6.656 1.00 0.00 C ATOM 602 OG SER A 486 -8.046 10.515 -7.012 1.00 0.00 O ATOM 0 H SER A 486 -10.244 9.267 -6.149 1.00 0.00 H new ATOM 0 HA SER A 486 -8.107 7.850 -4.972 1.00 0.00 H new ATOM 0 HB2 SER A 486 -6.766 8.936 -6.681 1.00 0.00 H new ATOM 0 HB3 SER A 486 -8.312 8.508 -7.387 1.00 0.00 H new ATOM 0 HG SER A 486 -7.681 10.680 -7.907 1.00 0.00 H new ATOM 608 N GLU A 487 -8.427 10.993 -4.102 1.00 0.00 N ATOM 609 CA GLU A 487 -7.958 12.008 -3.166 1.00 0.00 C ATOM 610 C GLU A 487 -8.084 11.521 -1.726 1.00 0.00 C ATOM 611 O GLU A 487 -7.147 11.639 -0.936 1.00 0.00 O ATOM 612 CB GLU A 487 -8.749 13.305 -3.348 1.00 0.00 C ATOM 613 CG GLU A 487 -8.246 14.451 -2.486 1.00 0.00 C ATOM 614 CD GLU A 487 -6.879 14.947 -2.916 1.00 0.00 C ATOM 615 OE1 GLU A 487 -6.526 14.762 -4.100 1.00 0.00 O ATOM 616 OE2 GLU A 487 -6.162 15.520 -2.070 1.00 0.00 O ATOM 0 H GLU A 487 -9.267 11.252 -4.620 1.00 0.00 H new ATOM 0 HA GLU A 487 -6.906 12.200 -3.375 1.00 0.00 H new ATOM 0 HB2 GLU A 487 -8.705 13.603 -4.396 1.00 0.00 H new ATOM 0 HB3 GLU A 487 -9.797 13.118 -3.113 1.00 0.00 H new ATOM 0 HG2 GLU A 487 -8.958 15.275 -2.531 1.00 0.00 H new ATOM 0 HG3 GLU A 487 -8.200 14.126 -1.447 1.00 0.00 H new ATOM 623 N GLN A 488 -9.248 10.973 -1.391 1.00 0.00 N ATOM 624 CA GLN A 488 -9.496 10.469 -0.045 1.00 0.00 C ATOM 625 C GLN A 488 -8.588 9.284 0.269 1.00 0.00 C ATOM 626 O GLN A 488 -8.130 9.124 1.400 1.00 0.00 O ATOM 627 CB GLN A 488 -10.961 10.057 0.104 1.00 0.00 C ATOM 628 CG GLN A 488 -11.934 11.219 -0.014 1.00 0.00 C ATOM 629 CD GLN A 488 -13.382 10.778 0.077 1.00 0.00 C ATOM 630 OE1 GLN A 488 -13.696 9.599 -0.084 1.00 0.00 O ATOM 631 NE2 GLN A 488 -14.274 11.727 0.338 1.00 0.00 N ATOM 0 H GLN A 488 -10.034 10.867 -2.033 1.00 0.00 H new ATOM 0 HA GLN A 488 -9.276 11.269 0.662 1.00 0.00 H new ATOM 0 HB2 GLN A 488 -11.200 9.315 -0.657 1.00 0.00 H new ATOM 0 HB3 GLN A 488 -11.098 9.576 1.072 1.00 0.00 H new ATOM 0 HG2 GLN A 488 -11.728 11.942 0.775 1.00 0.00 H new ATOM 0 HG3 GLN A 488 -11.772 11.729 -0.964 1.00 0.00 H new ATOM 0 HE21 GLN A 488 -13.970 12.692 0.464 1.00 0.00 H new ATOM 0 HE22 GLN A 488 -15.263 11.490 0.412 1.00 0.00 H new ATOM 640 N THR A 489 -8.333 8.456 -0.739 1.00 0.00 N ATOM 641 CA THR A 489 -7.481 7.285 -0.569 1.00 0.00 C ATOM 642 C THR A 489 -6.079 7.689 -0.124 1.00 0.00 C ATOM 643 O THR A 489 -5.458 7.012 0.694 1.00 0.00 O ATOM 644 CB THR A 489 -7.404 6.489 -1.873 1.00 0.00 C ATOM 645 OG1 THR A 489 -8.699 6.115 -2.309 1.00 0.00 O ATOM 646 CG2 THR A 489 -6.576 5.228 -1.757 1.00 0.00 C ATOM 0 H THR A 489 -8.704 8.574 -1.682 1.00 0.00 H new ATOM 0 HA THR A 489 -7.922 6.658 0.206 1.00 0.00 H new ATOM 0 HB THR A 489 -6.923 7.155 -2.590 1.00 0.00 H new ATOM 0 HG1 THR A 489 -9.100 6.853 -2.813 1.00 0.00 H new ATOM 0 HG21 THR A 489 -6.563 4.712 -2.717 1.00 0.00 H new ATOM 0 HG22 THR A 489 -5.557 5.487 -1.470 1.00 0.00 H new ATOM 0 HG23 THR A 489 -7.011 4.575 -1.000 1.00 0.00 H new ATOM 654 N VAL A 490 -5.586 8.796 -0.670 1.00 0.00 N ATOM 655 CA VAL A 490 -4.256 9.287 -0.330 1.00 0.00 C ATOM 656 C VAL A 490 -4.167 9.660 1.147 1.00 0.00 C ATOM 657 O VAL A 490 -3.182 9.352 1.816 1.00 0.00 O ATOM 658 CB VAL A 490 -3.876 10.514 -1.183 1.00 0.00 C ATOM 659 CG1 VAL A 490 -2.443 10.941 -0.902 1.00 0.00 C ATOM 660 CG2 VAL A 490 -4.071 10.216 -2.663 1.00 0.00 C ATOM 0 H VAL A 490 -6.087 9.369 -1.349 1.00 0.00 H new ATOM 0 HA VAL A 490 -3.557 8.477 -0.539 1.00 0.00 H new ATOM 0 HB VAL A 490 -4.534 11.339 -0.911 1.00 0.00 H new ATOM 0 HG11 VAL A 490 -2.195 11.808 -1.514 1.00 0.00 H new ATOM 0 HG12 VAL A 490 -2.340 11.199 0.152 1.00 0.00 H new ATOM 0 HG13 VAL A 490 -1.765 10.122 -1.142 1.00 0.00 H new ATOM 0 HG21 VAL A 490 -3.798 11.093 -3.250 1.00 0.00 H new ATOM 0 HG22 VAL A 490 -3.439 9.376 -2.951 1.00 0.00 H new ATOM 0 HG23 VAL A 490 -5.115 9.966 -2.849 1.00 0.00 H new ATOM 670 N ASN A 491 -5.201 10.328 1.648 1.00 0.00 N ATOM 671 CA ASN A 491 -5.237 10.745 3.045 1.00 0.00 C ATOM 672 C ASN A 491 -5.207 9.540 3.980 1.00 0.00 C ATOM 673 O ASN A 491 -4.429 9.501 4.933 1.00 0.00 O ATOM 674 CB ASN A 491 -6.488 11.583 3.316 1.00 0.00 C ATOM 675 CG ASN A 491 -6.491 12.885 2.540 1.00 0.00 C ATOM 676 OD1 ASN A 491 -5.453 13.334 2.055 1.00 0.00 O ATOM 677 ND2 ASN A 491 -7.662 13.500 2.421 1.00 0.00 N ATOM 0 H ASN A 491 -6.025 10.592 1.108 1.00 0.00 H new ATOM 0 HA ASN A 491 -4.351 11.350 3.237 1.00 0.00 H new ATOM 0 HB2 ASN A 491 -7.373 11.004 3.053 1.00 0.00 H new ATOM 0 HB3 ASN A 491 -6.553 11.799 4.382 1.00 0.00 H new ATOM 0 HD21 ASN A 491 -7.726 14.381 1.911 1.00 0.00 H new ATOM 0 HD22 ASN A 491 -8.498 13.091 2.839 1.00 0.00 H new ATOM 684 N VAL A 492 -6.060 8.559 3.703 1.00 0.00 N ATOM 685 CA VAL A 492 -6.131 7.355 4.522 1.00 0.00 C ATOM 686 C VAL A 492 -4.932 6.445 4.273 1.00 0.00 C ATOM 687 O VAL A 492 -4.293 5.973 5.212 1.00 0.00 O ATOM 688 CB VAL A 492 -7.426 6.566 4.248 1.00 0.00 C ATOM 689 CG1 VAL A 492 -7.563 5.404 5.220 1.00 0.00 C ATOM 690 CG2 VAL A 492 -8.637 7.483 4.328 1.00 0.00 C ATOM 0 H VAL A 492 -6.711 8.574 2.918 1.00 0.00 H new ATOM 0 HA VAL A 492 -6.124 7.681 5.562 1.00 0.00 H new ATOM 0 HB VAL A 492 -7.373 6.158 3.238 1.00 0.00 H new ATOM 0 HG11 VAL A 492 -8.484 4.860 5.009 1.00 0.00 H new ATOM 0 HG12 VAL A 492 -6.711 4.733 5.107 1.00 0.00 H new ATOM 0 HG13 VAL A 492 -7.592 5.785 6.241 1.00 0.00 H new ATOM 0 HG21 VAL A 492 -9.542 6.908 4.132 1.00 0.00 H new ATOM 0 HG22 VAL A 492 -8.695 7.923 5.324 1.00 0.00 H new ATOM 0 HG23 VAL A 492 -8.543 8.276 3.586 1.00 0.00 H new ATOM 700 N LEU A 493 -4.635 6.203 3.001 1.00 0.00 N ATOM 701 CA LEU A 493 -3.514 5.349 2.625 1.00 0.00 C ATOM 702 C LEU A 493 -2.199 5.902 3.167 1.00 0.00 C ATOM 703 O LEU A 493 -1.319 5.146 3.579 1.00 0.00 O ATOM 704 CB LEU A 493 -3.436 5.215 1.103 1.00 0.00 C ATOM 705 CG LEU A 493 -2.404 4.209 0.593 1.00 0.00 C ATOM 706 CD1 LEU A 493 -2.837 2.788 0.921 1.00 0.00 C ATOM 707 CD2 LEU A 493 -2.197 4.373 -0.905 1.00 0.00 C ATOM 0 H LEU A 493 -5.155 6.587 2.212 1.00 0.00 H new ATOM 0 HA LEU A 493 -3.679 4.364 3.062 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -4.418 4.926 0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -3.208 6.193 0.679 1.00 0.00 H new ATOM 0 HG LEU A 493 -1.456 4.403 1.095 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -2.090 2.085 0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -2.935 2.678 2.001 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -3.796 2.581 0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -1.459 3.649 -1.252 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -3.141 4.205 -1.423 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -1.842 5.382 -1.115 1.00 0.00 H new ATOM 719 N ALA A 494 -2.071 7.224 3.162 1.00 0.00 N ATOM 720 CA ALA A 494 -0.862 7.874 3.653 1.00 0.00 C ATOM 721 C ALA A 494 -0.694 7.663 5.153 1.00 0.00 C ATOM 722 O ALA A 494 0.423 7.513 5.647 1.00 0.00 O ATOM 723 CB ALA A 494 -0.894 9.360 3.328 1.00 0.00 C ATOM 0 H ALA A 494 -2.788 7.866 2.824 1.00 0.00 H new ATOM 0 HA ALA A 494 -0.007 7.421 3.152 1.00 0.00 H new ATOM 0 HB1 ALA A 494 0.015 9.833 3.700 1.00 0.00 H new ATOM 0 HB2 ALA A 494 -0.957 9.495 2.248 1.00 0.00 H new ATOM 0 HB3 ALA A 494 -1.762 9.818 3.802 1.00 0.00 H new ATOM 729 N GLN A 495 -1.810 7.653 5.872 1.00 0.00 N ATOM 730 CA GLN A 495 -1.788 7.461 7.318 1.00 0.00 C ATOM 731 C GLN A 495 -1.687 5.981 7.674 1.00 0.00 C ATOM 732 O GLN A 495 -0.940 5.599 8.575 1.00 0.00 O ATOM 733 CB GLN A 495 -3.042 8.065 7.952 1.00 0.00 C ATOM 734 CG GLN A 495 -3.142 9.572 7.785 1.00 0.00 C ATOM 735 CD GLN A 495 -4.424 10.139 8.363 1.00 0.00 C ATOM 736 OE1 GLN A 495 -5.379 9.406 8.621 1.00 0.00 O ATOM 737 NE2 GLN A 495 -4.452 11.450 8.569 1.00 0.00 N ATOM 0 H GLN A 495 -2.743 7.776 5.477 1.00 0.00 H new ATOM 0 HA GLN A 495 -0.907 7.969 7.711 1.00 0.00 H new ATOM 0 HB2 GLN A 495 -3.923 7.600 7.510 1.00 0.00 H new ATOM 0 HB3 GLN A 495 -3.054 7.824 9.015 1.00 0.00 H new ATOM 0 HG2 GLN A 495 -2.288 10.045 8.271 1.00 0.00 H new ATOM 0 HG3 GLN A 495 -3.084 9.821 6.725 1.00 0.00 H new ATOM 0 HE21 GLN A 495 -3.637 12.020 8.341 1.00 0.00 H new ATOM 0 HE22 GLN A 495 -5.288 11.888 8.956 1.00 0.00 H new ATOM 746 N ILE A 496 -2.446 5.152 6.964 1.00 0.00 N ATOM 747 CA ILE A 496 -2.443 3.715 7.209 1.00 0.00 C ATOM 748 C ILE A 496 -1.058 3.120 6.974 1.00 0.00 C ATOM 749 O ILE A 496 -0.572 2.313 7.766 1.00 0.00 O ATOM 750 CB ILE A 496 -3.487 2.995 6.320 1.00 0.00 C ATOM 751 CG1 ILE A 496 -4.028 1.756 7.034 1.00 0.00 C ATOM 752 CG2 ILE A 496 -2.908 2.618 4.961 1.00 0.00 C ATOM 753 CD1 ILE A 496 -5.461 1.429 6.676 1.00 0.00 C ATOM 0 H ILE A 496 -3.070 5.451 6.215 1.00 0.00 H new ATOM 0 HA ILE A 496 -2.713 3.562 8.254 1.00 0.00 H new ATOM 0 HB ILE A 496 -4.308 3.690 6.145 1.00 0.00 H new ATOM 0 HG12 ILE A 496 -3.397 0.901 6.790 1.00 0.00 H new ATOM 0 HG13 ILE A 496 -3.957 1.907 8.111 1.00 0.00 H new ATOM 0 HG21 ILE A 496 -3.671 2.115 4.367 1.00 0.00 H new ATOM 0 HG22 ILE A 496 -2.580 3.519 4.443 1.00 0.00 H new ATOM 0 HG23 ILE A 496 -2.058 1.950 5.100 1.00 0.00 H new ATOM 0 HD11 ILE A 496 -5.778 0.539 7.219 1.00 0.00 H new ATOM 0 HD12 ILE A 496 -6.104 2.267 6.946 1.00 0.00 H new ATOM 0 HD13 ILE A 496 -5.535 1.245 5.604 1.00 0.00 H new ATOM 765 N LEU A 497 -0.432 3.527 5.878 1.00 0.00 N ATOM 766 CA LEU A 497 0.897 3.039 5.526 1.00 0.00 C ATOM 767 C LEU A 497 1.907 3.363 6.623 1.00 0.00 C ATOM 768 O LEU A 497 2.695 2.507 7.026 1.00 0.00 O ATOM 769 CB LEU A 497 1.353 3.649 4.200 1.00 0.00 C ATOM 770 CG LEU A 497 0.637 3.112 2.960 1.00 0.00 C ATOM 771 CD1 LEU A 497 0.953 3.972 1.746 1.00 0.00 C ATOM 772 CD2 LEU A 497 1.029 1.664 2.706 1.00 0.00 C ATOM 0 H LEU A 497 -0.824 4.196 5.215 1.00 0.00 H new ATOM 0 HA LEU A 497 0.841 1.956 5.419 1.00 0.00 H new ATOM 0 HB2 LEU A 497 1.208 4.728 4.245 1.00 0.00 H new ATOM 0 HB3 LEU A 497 2.423 3.475 4.087 1.00 0.00 H new ATOM 0 HG LEU A 497 -0.438 3.152 3.138 1.00 0.00 H new ATOM 0 HD11 LEU A 497 0.435 3.574 0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 497 0.623 4.995 1.929 1.00 0.00 H new ATOM 0 HD13 LEU A 497 2.028 3.964 1.564 1.00 0.00 H new ATOM 0 HD21 LEU A 497 0.511 1.297 1.820 1.00 0.00 H new ATOM 0 HD22 LEU A 497 2.106 1.601 2.549 1.00 0.00 H new ATOM 0 HD23 LEU A 497 0.752 1.056 3.567 1.00 0.00 H new ATOM 784 N LYS A 498 1.880 4.603 7.101 1.00 0.00 N ATOM 785 CA LYS A 498 2.796 5.036 8.150 1.00 0.00 C ATOM 786 C LYS A 498 2.599 4.212 9.418 1.00 0.00 C ATOM 787 O LYS A 498 3.561 3.888 10.115 1.00 0.00 O ATOM 788 CB LYS A 498 2.591 6.521 8.456 1.00 0.00 C ATOM 789 CG LYS A 498 3.061 7.441 7.341 1.00 0.00 C ATOM 790 CD LYS A 498 2.889 8.904 7.717 1.00 0.00 C ATOM 791 CE LYS A 498 3.247 9.822 6.559 1.00 0.00 C ATOM 792 NZ LYS A 498 4.720 9.965 6.398 1.00 0.00 N ATOM 0 H LYS A 498 1.235 5.325 6.779 1.00 0.00 H new ATOM 0 HA LYS A 498 3.815 4.884 7.793 1.00 0.00 H new ATOM 0 HB2 LYS A 498 1.533 6.702 8.644 1.00 0.00 H new ATOM 0 HB3 LYS A 498 3.125 6.772 9.373 1.00 0.00 H new ATOM 0 HG2 LYS A 498 4.110 7.242 7.121 1.00 0.00 H new ATOM 0 HG3 LYS A 498 2.499 7.229 6.432 1.00 0.00 H new ATOM 0 HD2 LYS A 498 1.858 9.084 8.020 1.00 0.00 H new ATOM 0 HD3 LYS A 498 3.519 9.137 8.576 1.00 0.00 H new ATOM 0 HE2 LYS A 498 2.818 9.428 5.638 1.00 0.00 H new ATOM 0 HE3 LYS A 498 2.803 10.804 6.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 4.922 10.598 5.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 5.127 10.365 7.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 5.141 9.032 6.215 1.00 0.00 H new ATOM 806 N ARG A 499 1.348 3.876 9.712 1.00 0.00 N ATOM 807 CA ARG A 499 1.025 3.089 10.896 1.00 0.00 C ATOM 808 C ARG A 499 1.727 1.735 10.857 1.00 0.00 C ATOM 809 O ARG A 499 2.185 1.232 11.882 1.00 0.00 O ATOM 810 CB ARG A 499 -0.487 2.889 11.004 1.00 0.00 C ATOM 811 CG ARG A 499 -0.928 2.291 12.330 1.00 0.00 C ATOM 812 CD ARG A 499 -0.824 3.302 13.460 1.00 0.00 C ATOM 813 NE ARG A 499 -2.075 4.030 13.660 1.00 0.00 N ATOM 814 CZ ARG A 499 -3.208 3.461 14.063 1.00 0.00 C ATOM 815 NH1 ARG A 499 -3.253 2.157 14.311 1.00 0.00 N ATOM 816 NH2 ARG A 499 -4.301 4.196 14.219 1.00 0.00 N ATOM 0 H ARG A 499 0.540 4.137 9.146 1.00 0.00 H new ATOM 0 HA ARG A 499 1.376 3.635 11.772 1.00 0.00 H new ATOM 0 HB2 ARG A 499 -0.983 3.850 10.865 1.00 0.00 H new ATOM 0 HB3 ARG A 499 -0.818 2.239 10.194 1.00 0.00 H new ATOM 0 HG2 ARG A 499 -1.957 1.940 12.248 1.00 0.00 H new ATOM 0 HG3 ARG A 499 -0.312 1.422 12.561 1.00 0.00 H new ATOM 0 HD2 ARG A 499 -0.552 2.788 14.382 1.00 0.00 H new ATOM 0 HD3 ARG A 499 -0.024 4.009 13.241 1.00 0.00 H new ATOM 0 HE ARG A 499 -2.080 5.034 13.480 1.00 0.00 H new ATOM 0 HH11 ARG A 499 -2.416 1.586 14.193 1.00 0.00 H new ATOM 0 HH12 ARG A 499 -4.125 1.726 14.620 1.00 0.00 H new ATOM 0 HH21 ARG A 499 -4.273 5.198 14.030 1.00 0.00 H new ATOM 0 HH22 ARG A 499 -5.169 3.759 14.528 1.00 0.00 H new ATOM 830 N LEU A 500 1.808 1.151 9.665 1.00 0.00 N ATOM 831 CA LEU A 500 2.455 -0.145 9.491 1.00 0.00 C ATOM 832 C LEU A 500 3.939 -0.063 9.833 1.00 0.00 C ATOM 833 O LEU A 500 4.511 -1.001 10.389 1.00 0.00 O ATOM 834 CB LEU A 500 2.273 -0.637 8.052 1.00 0.00 C ATOM 835 CG LEU A 500 1.448 -1.917 7.905 1.00 0.00 C ATOM 836 CD1 LEU A 500 0.100 -1.765 8.592 1.00 0.00 C ATOM 837 CD2 LEU A 500 1.265 -2.265 6.436 1.00 0.00 C ATOM 0 H LEU A 500 1.434 1.554 8.806 1.00 0.00 H new ATOM 0 HA LEU A 500 1.986 -0.855 10.172 1.00 0.00 H new ATOM 0 HB2 LEU A 500 1.796 0.153 7.472 1.00 0.00 H new ATOM 0 HB3 LEU A 500 3.257 -0.805 7.614 1.00 0.00 H new ATOM 0 HG LEU A 500 1.987 -2.733 8.387 1.00 0.00 H new ATOM 0 HD11 LEU A 500 -0.473 -2.685 8.477 1.00 0.00 H new ATOM 0 HD12 LEU A 500 0.253 -1.563 9.652 1.00 0.00 H new ATOM 0 HD13 LEU A 500 -0.447 -0.938 8.140 1.00 0.00 H new ATOM 0 HD21 LEU A 500 0.676 -3.178 6.349 1.00 0.00 H new ATOM 0 HD22 LEU A 500 0.747 -1.450 5.931 1.00 0.00 H new ATOM 0 HD23 LEU A 500 2.240 -2.417 5.974 1.00 0.00 H new ATOM 849 N ASN A 501 4.555 1.063 9.495 1.00 0.00 N ATOM 850 CA ASN A 501 5.974 1.270 9.764 1.00 0.00 C ATOM 851 C ASN A 501 6.821 0.205 9.070 1.00 0.00 C ATOM 852 O ASN A 501 7.631 -0.470 9.706 1.00 0.00 O ATOM 853 CB ASN A 501 6.236 1.248 11.272 1.00 0.00 C ATOM 854 CG ASN A 501 7.370 2.170 11.675 1.00 0.00 C ATOM 855 OD1 ASN A 501 7.183 3.095 12.465 1.00 0.00 O ATOM 856 ND2 ASN A 501 8.556 1.921 11.132 1.00 0.00 N ATOM 0 H ASN A 501 4.095 1.848 9.034 1.00 0.00 H new ATOM 0 HA ASN A 501 6.256 2.246 9.368 1.00 0.00 H new ATOM 0 HB2 ASN A 501 5.328 1.541 11.800 1.00 0.00 H new ATOM 0 HB3 ASN A 501 6.471 0.230 11.582 1.00 0.00 H new ATOM 0 HD21 ASN A 501 9.357 2.508 11.366 1.00 0.00 H new ATOM 0 HD22 ASN A 501 8.666 1.143 10.481 1.00 0.00 H new ATOM 863 N PRO A 502 6.643 0.039 7.747 1.00 0.00 N ATOM 864 CA PRO A 502 7.393 -0.949 6.967 1.00 0.00 C ATOM 865 C PRO A 502 8.831 -0.513 6.706 1.00 0.00 C ATOM 866 O PRO A 502 9.286 0.506 7.227 1.00 0.00 O ATOM 867 CB PRO A 502 6.611 -1.022 5.657 1.00 0.00 C ATOM 868 CG PRO A 502 5.995 0.326 5.512 1.00 0.00 C ATOM 869 CD PRO A 502 5.696 0.802 6.910 1.00 0.00 C ATOM 0 HA PRO A 502 7.478 -1.904 7.486 1.00 0.00 H new ATOM 0 HB2 PRO A 502 7.266 -1.251 4.816 1.00 0.00 H new ATOM 0 HB3 PRO A 502 5.852 -1.803 5.692 1.00 0.00 H new ATOM 0 HG2 PRO A 502 6.673 1.012 5.004 1.00 0.00 H new ATOM 0 HG3 PRO A 502 5.085 0.276 4.914 1.00 0.00 H new ATOM 0 HD2 PRO A 502 5.849 1.877 7.009 1.00 0.00 H new ATOM 0 HD3 PRO A 502 4.662 0.601 7.189 1.00 0.00 H new ATOM 877 N GLU A 503 9.541 -1.290 5.895 1.00 0.00 N ATOM 878 CA GLU A 503 10.927 -0.985 5.562 1.00 0.00 C ATOM 879 C GLU A 503 11.010 -0.189 4.264 1.00 0.00 C ATOM 880 O GLU A 503 10.040 -0.109 3.511 1.00 0.00 O ATOM 881 CB GLU A 503 11.740 -2.275 5.437 1.00 0.00 C ATOM 882 CG GLU A 503 11.782 -3.095 6.716 1.00 0.00 C ATOM 883 CD GLU A 503 12.658 -4.326 6.593 1.00 0.00 C ATOM 884 OE1 GLU A 503 13.051 -4.665 5.457 1.00 0.00 O ATOM 885 OE2 GLU A 503 12.950 -4.953 7.634 1.00 0.00 O ATOM 0 H GLU A 503 9.179 -2.136 5.456 1.00 0.00 H new ATOM 0 HA GLU A 503 11.344 -0.379 6.367 1.00 0.00 H new ATOM 0 HB2 GLU A 503 11.318 -2.885 4.638 1.00 0.00 H new ATOM 0 HB3 GLU A 503 12.759 -2.025 5.142 1.00 0.00 H new ATOM 0 HG2 GLU A 503 12.151 -2.472 7.531 1.00 0.00 H new ATOM 0 HG3 GLU A 503 10.770 -3.400 6.981 1.00 0.00 H new ATOM 892 N ARG A 504 12.174 0.400 4.009 1.00 0.00 N ATOM 893 CA ARG A 504 12.381 1.191 2.801 1.00 0.00 C ATOM 894 C ARG A 504 13.466 0.573 1.924 1.00 0.00 C ATOM 895 O ARG A 504 14.571 0.294 2.389 1.00 0.00 O ATOM 896 CB ARG A 504 12.761 2.627 3.166 1.00 0.00 C ATOM 897 CG ARG A 504 11.693 3.352 3.970 1.00 0.00 C ATOM 898 CD ARG A 504 12.084 4.796 4.244 1.00 0.00 C ATOM 899 NE ARG A 504 11.242 5.739 3.512 1.00 0.00 N ATOM 900 CZ ARG A 504 9.997 6.052 3.867 1.00 0.00 C ATOM 901 NH1 ARG A 504 9.448 5.499 4.942 1.00 0.00 N ATOM 902 NH2 ARG A 504 9.301 6.919 3.146 1.00 0.00 N ATOM 0 H ARG A 504 12.987 0.345 4.622 1.00 0.00 H new ATOM 0 HA ARG A 504 11.447 1.201 2.239 1.00 0.00 H new ATOM 0 HB2 ARG A 504 13.689 2.615 3.738 1.00 0.00 H new ATOM 0 HB3 ARG A 504 12.958 3.186 2.251 1.00 0.00 H new ATOM 0 HG2 ARG A 504 10.748 3.327 3.427 1.00 0.00 H new ATOM 0 HG3 ARG A 504 11.532 2.832 4.915 1.00 0.00 H new ATOM 0 HD2 ARG A 504 12.008 4.996 5.313 1.00 0.00 H new ATOM 0 HD3 ARG A 504 13.127 4.949 3.965 1.00 0.00 H new ATOM 0 HE ARG A 504 11.630 6.184 2.680 1.00 0.00 H new ATOM 0 HH11 ARG A 504 9.980 4.831 5.500 1.00 0.00 H new ATOM 0 HH12 ARG A 504 8.494 5.742 5.210 1.00 0.00 H new ATOM 0 HH21 ARG A 504 9.719 7.346 2.319 1.00 0.00 H new ATOM 0 HH22 ARG A 504 8.348 7.159 3.418 1.00 0.00 H new ATOM 916 N LYS A 505 13.142 0.363 0.652 1.00 0.00 N ATOM 917 CA LYS A 505 14.089 -0.221 -0.292 1.00 0.00 C ATOM 918 C LYS A 505 14.033 0.500 -1.635 1.00 0.00 C ATOM 919 O LYS A 505 12.966 0.926 -2.078 1.00 0.00 O ATOM 920 CB LYS A 505 13.795 -1.710 -0.486 1.00 0.00 C ATOM 921 CG LYS A 505 13.954 -2.532 0.782 1.00 0.00 C ATOM 922 CD LYS A 505 13.766 -4.016 0.511 1.00 0.00 C ATOM 923 CE LYS A 505 13.803 -4.826 1.797 1.00 0.00 C ATOM 924 NZ LYS A 505 13.380 -6.236 1.577 1.00 0.00 N ATOM 0 H LYS A 505 12.232 0.588 0.251 1.00 0.00 H new ATOM 0 HA LYS A 505 15.092 -0.107 0.120 1.00 0.00 H new ATOM 0 HB2 LYS A 505 12.777 -1.825 -0.858 1.00 0.00 H new ATOM 0 HB3 LYS A 505 14.461 -2.107 -1.252 1.00 0.00 H new ATOM 0 HG2 LYS A 505 14.943 -2.361 1.206 1.00 0.00 H new ATOM 0 HG3 LYS A 505 13.228 -2.202 1.524 1.00 0.00 H new ATOM 0 HD2 LYS A 505 12.814 -4.177 0.006 1.00 0.00 H new ATOM 0 HD3 LYS A 505 14.548 -4.366 -0.163 1.00 0.00 H new ATOM 0 HE2 LYS A 505 14.813 -4.810 2.207 1.00 0.00 H new ATOM 0 HE3 LYS A 505 13.151 -4.362 2.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 505 13.370 -6.741 2.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 505 12.427 -6.252 1.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 505 14.047 -6.702 0.929 1.00 0.00 H new ATOM 938 N MET A 506 15.188 0.632 -2.279 1.00 0.00 N ATOM 939 CA MET A 506 15.269 1.302 -3.573 1.00 0.00 C ATOM 940 C MET A 506 15.510 0.295 -4.693 1.00 0.00 C ATOM 941 O MET A 506 16.581 -0.306 -4.781 1.00 0.00 O ATOM 942 CB MET A 506 16.387 2.346 -3.561 1.00 0.00 C ATOM 943 CG MET A 506 16.138 3.493 -2.595 1.00 0.00 C ATOM 944 SD MET A 506 17.375 4.797 -2.732 1.00 0.00 S ATOM 945 CE MET A 506 18.871 3.884 -2.361 1.00 0.00 C ATOM 0 H MET A 506 16.080 0.285 -1.927 1.00 0.00 H new ATOM 0 HA MET A 506 14.317 1.801 -3.756 1.00 0.00 H new ATOM 0 HB2 MET A 506 17.326 1.858 -3.298 1.00 0.00 H new ATOM 0 HB3 MET A 506 16.508 2.749 -4.567 1.00 0.00 H new ATOM 0 HG2 MET A 506 15.150 3.913 -2.783 1.00 0.00 H new ATOM 0 HG3 MET A 506 16.132 3.109 -1.575 1.00 0.00 H new ATOM 0 HE1 MET A 506 19.670 4.581 -2.109 1.00 0.00 H new ATOM 0 HE2 MET A 506 18.691 3.218 -1.517 1.00 0.00 H new ATOM 0 HE3 MET A 506 19.164 3.296 -3.231 1.00 0.00 H new ATOM 955 N ILE A 507 14.508 0.116 -5.548 1.00 0.00 N ATOM 956 CA ILE A 507 14.611 -0.817 -6.663 1.00 0.00 C ATOM 957 C ILE A 507 14.322 -0.123 -7.990 1.00 0.00 C ATOM 958 O ILE A 507 13.269 0.489 -8.165 1.00 0.00 O ATOM 959 CB ILE A 507 13.642 -2.003 -6.495 1.00 0.00 C ATOM 960 CG1 ILE A 507 13.783 -2.612 -5.099 1.00 0.00 C ATOM 961 CG2 ILE A 507 13.899 -3.054 -7.566 1.00 0.00 C ATOM 962 CD1 ILE A 507 12.722 -2.144 -4.127 1.00 0.00 C ATOM 0 H ILE A 507 13.615 0.606 -5.489 1.00 0.00 H new ATOM 0 HA ILE A 507 15.635 -1.192 -6.668 1.00 0.00 H new ATOM 0 HB ILE A 507 12.622 -1.638 -6.610 1.00 0.00 H new ATOM 0 HG12 ILE A 507 13.738 -3.698 -5.179 1.00 0.00 H new ATOM 0 HG13 ILE A 507 14.766 -2.362 -4.700 1.00 0.00 H new ATOM 0 HG21 ILE A 507 13.206 -3.885 -7.434 1.00 0.00 H new ATOM 0 HG22 ILE A 507 13.752 -2.613 -8.552 1.00 0.00 H new ATOM 0 HG23 ILE A 507 14.923 -3.418 -7.481 1.00 0.00 H new ATOM 0 HD11 ILE A 507 12.883 -2.616 -3.158 1.00 0.00 H new ATOM 0 HD12 ILE A 507 12.781 -1.061 -4.018 1.00 0.00 H new ATOM 0 HD13 ILE A 507 11.737 -2.418 -4.504 1.00 0.00 H new ATOM 974 N ASN A 508 15.264 -0.224 -8.923 1.00 0.00 N ATOM 975 CA ASN A 508 15.111 0.393 -10.236 1.00 0.00 C ATOM 976 C ASN A 508 14.859 1.893 -10.110 1.00 0.00 C ATOM 977 O ASN A 508 14.003 2.450 -10.797 1.00 0.00 O ATOM 978 CB ASN A 508 13.961 -0.268 -11.001 1.00 0.00 C ATOM 979 CG ASN A 508 14.027 0.004 -12.491 1.00 0.00 C ATOM 980 OD1 ASN A 508 14.927 0.693 -12.969 1.00 0.00 O ATOM 981 ND2 ASN A 508 13.068 -0.538 -13.234 1.00 0.00 N ATOM 0 H ASN A 508 16.142 -0.728 -8.794 1.00 0.00 H new ATOM 0 HA ASN A 508 16.039 0.246 -10.789 1.00 0.00 H new ATOM 0 HB2 ASN A 508 13.985 -1.344 -10.829 1.00 0.00 H new ATOM 0 HB3 ASN A 508 13.011 0.096 -10.610 1.00 0.00 H new ATOM 0 HD21 ASN A 508 13.059 -0.389 -14.243 1.00 0.00 H new ATOM 0 HD22 ASN A 508 12.341 -1.103 -12.795 1.00 0.00 H new ATOM 988 N ASP A 509 15.610 2.540 -9.225 1.00 0.00 N ATOM 989 CA ASP A 509 15.468 3.975 -9.007 1.00 0.00 C ATOM 990 C ASP A 509 14.062 4.316 -8.526 1.00 0.00 C ATOM 991 O ASP A 509 13.512 5.362 -8.872 1.00 0.00 O ATOM 992 CB ASP A 509 15.779 4.741 -10.294 1.00 0.00 C ATOM 993 CG ASP A 509 17.224 4.584 -10.727 1.00 0.00 C ATOM 994 OD1 ASP A 509 18.053 4.167 -9.891 1.00 0.00 O ATOM 995 OD2 ASP A 509 17.526 4.878 -11.903 1.00 0.00 O ATOM 0 H ASP A 509 16.323 2.094 -8.648 1.00 0.00 H new ATOM 0 HA ASP A 509 16.178 4.272 -8.235 1.00 0.00 H new ATOM 0 HB2 ASP A 509 15.124 4.388 -11.091 1.00 0.00 H new ATOM 0 HB3 ASP A 509 15.560 5.798 -10.146 1.00 0.00 H new ATOM 1000 N LYS A 510 13.486 3.426 -7.724 1.00 0.00 N ATOM 1001 CA LYS A 510 12.143 3.631 -7.192 1.00 0.00 C ATOM 1002 C LYS A 510 12.079 3.244 -5.718 1.00 0.00 C ATOM 1003 O LYS A 510 12.779 2.334 -5.274 1.00 0.00 O ATOM 1004 CB LYS A 510 11.124 2.816 -7.990 1.00 0.00 C ATOM 1005 CG LYS A 510 11.075 3.180 -9.465 1.00 0.00 C ATOM 1006 CD LYS A 510 10.575 4.601 -9.671 1.00 0.00 C ATOM 1007 CE LYS A 510 10.362 4.909 -11.144 1.00 0.00 C ATOM 1008 NZ LYS A 510 9.158 5.757 -11.366 1.00 0.00 N ATOM 0 H LYS A 510 13.928 2.556 -7.428 1.00 0.00 H new ATOM 0 HA LYS A 510 11.901 4.690 -7.283 1.00 0.00 H new ATOM 0 HB2 LYS A 510 11.363 1.757 -7.893 1.00 0.00 H new ATOM 0 HB3 LYS A 510 10.135 2.961 -7.555 1.00 0.00 H new ATOM 0 HG2 LYS A 510 12.069 3.076 -9.900 1.00 0.00 H new ATOM 0 HG3 LYS A 510 10.422 2.483 -9.991 1.00 0.00 H new ATOM 0 HD2 LYS A 510 9.639 4.740 -9.130 1.00 0.00 H new ATOM 0 HD3 LYS A 510 11.294 5.305 -9.251 1.00 0.00 H new ATOM 0 HE2 LYS A 510 11.242 5.417 -11.539 1.00 0.00 H new ATOM 0 HE3 LYS A 510 10.256 3.976 -11.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 9.048 5.944 -12.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 8.315 5.262 -11.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 9.269 6.658 -10.858 1.00 0.00 H new ATOM 1022 N MET A 511 11.236 3.942 -4.964 1.00 0.00 N ATOM 1023 CA MET A 511 11.083 3.670 -3.539 1.00 0.00 C ATOM 1024 C MET A 511 9.984 2.640 -3.296 1.00 0.00 C ATOM 1025 O MET A 511 8.834 2.840 -3.685 1.00 0.00 O ATOM 1026 CB MET A 511 10.763 4.962 -2.785 1.00 0.00 C ATOM 1027 CG MET A 511 11.384 5.025 -1.398 1.00 0.00 C ATOM 1028 SD MET A 511 12.172 6.612 -1.059 1.00 0.00 S ATOM 1029 CE MET A 511 11.300 7.113 0.423 1.00 0.00 C ATOM 0 H MET A 511 10.649 4.699 -5.315 1.00 0.00 H new ATOM 0 HA MET A 511 12.024 3.264 -3.168 1.00 0.00 H new ATOM 0 HB2 MET A 511 11.114 5.812 -3.371 1.00 0.00 H new ATOM 0 HB3 MET A 511 9.681 5.062 -2.695 1.00 0.00 H new ATOM 0 HG2 MET A 511 10.613 4.840 -0.650 1.00 0.00 H new ATOM 0 HG3 MET A 511 12.122 4.229 -1.298 1.00 0.00 H new ATOM 0 HE1 MET A 511 12.012 7.508 1.148 1.00 0.00 H new ATOM 0 HE2 MET A 511 10.571 7.884 0.173 1.00 0.00 H new ATOM 0 HE3 MET A 511 10.786 6.252 0.851 1.00 0.00 H new ATOM 1039 N HIS A 512 10.348 1.537 -2.649 1.00 0.00 N ATOM 1040 CA HIS A 512 9.394 0.474 -2.353 1.00 0.00 C ATOM 1041 C HIS A 512 9.437 0.103 -0.874 1.00 0.00 C ATOM 1042 O HIS A 512 10.423 0.368 -0.186 1.00 0.00 O ATOM 1043 CB HIS A 512 9.689 -0.759 -3.208 1.00 0.00 C ATOM 1044 CG HIS A 512 9.346 -0.582 -4.654 1.00 0.00 C ATOM 1045 ND1 HIS A 512 8.186 -0.792 -5.322 1.00 0.00 N flip ATOM 1046 CD2 HIS A 512 10.252 -0.140 -5.595 1.00 0.00 C flip ATOM 1047 CE1 HIS A 512 8.412 -0.476 -6.639 1.00 0.00 C flip ATOM 1048 NE2 HIS A 512 9.665 -0.085 -6.777 1.00 0.00 N flip ATOM 0 H HIS A 512 11.296 1.356 -2.320 1.00 0.00 H new ATOM 0 HA HIS A 512 8.395 0.840 -2.590 1.00 0.00 H new ATOM 0 HB2 HIS A 512 10.747 -1.006 -3.122 1.00 0.00 H new ATOM 0 HB3 HIS A 512 9.131 -1.607 -2.812 1.00 0.00 H new ATOM 0 HD2 HIS A 512 11.281 0.121 -5.396 1.00 0.00 H new ATOM 0 HE1 HIS A 512 7.683 -0.537 -7.433 1.00 0.00 H new ATOM 0 HE2 HIS A 512 10.105 0.210 -7.649 1.00 0.00 H new ATOM 1057 N PHE A 513 8.363 -0.512 -0.392 1.00 0.00 N ATOM 1058 CA PHE A 513 8.278 -0.920 1.006 1.00 0.00 C ATOM 1059 C PHE A 513 8.186 -2.438 1.126 1.00 0.00 C ATOM 1060 O PHE A 513 7.555 -3.099 0.301 1.00 0.00 O ATOM 1061 CB PHE A 513 7.066 -0.270 1.676 1.00 0.00 C ATOM 1062 CG PHE A 513 7.118 1.231 1.684 1.00 0.00 C ATOM 1063 CD1 PHE A 513 7.797 1.908 2.684 1.00 0.00 C ATOM 1064 CD2 PHE A 513 6.488 1.964 0.691 1.00 0.00 C ATOM 1065 CE1 PHE A 513 7.847 3.289 2.694 1.00 0.00 C ATOM 1066 CE2 PHE A 513 6.534 3.346 0.696 1.00 0.00 C ATOM 1067 CZ PHE A 513 7.214 4.009 1.699 1.00 0.00 C ATOM 0 H PHE A 513 7.539 -0.739 -0.948 1.00 0.00 H new ATOM 0 HA PHE A 513 9.185 -0.588 1.511 1.00 0.00 H new ATOM 0 HB2 PHE A 513 6.161 -0.591 1.161 1.00 0.00 H new ATOM 0 HB3 PHE A 513 6.993 -0.628 2.703 1.00 0.00 H new ATOM 0 HD1 PHE A 513 8.293 1.350 3.465 1.00 0.00 H new ATOM 0 HD2 PHE A 513 5.955 1.450 -0.095 1.00 0.00 H new ATOM 0 HE1 PHE A 513 8.380 3.805 3.479 1.00 0.00 H new ATOM 0 HE2 PHE A 513 6.039 3.906 -0.083 1.00 0.00 H new ATOM 0 HZ PHE A 513 7.251 5.088 1.705 1.00 0.00 H new ATOM 1077 N SER A 514 8.820 -2.984 2.159 1.00 0.00 N ATOM 1078 CA SER A 514 8.809 -4.424 2.387 1.00 0.00 C ATOM 1079 C SER A 514 8.517 -4.741 3.850 1.00 0.00 C ATOM 1080 O SER A 514 9.043 -4.091 4.754 1.00 0.00 O ATOM 1081 CB SER A 514 10.150 -5.036 1.979 1.00 0.00 C ATOM 1082 OG SER A 514 10.118 -6.449 2.077 1.00 0.00 O ATOM 0 H SER A 514 9.347 -2.451 2.851 1.00 0.00 H new ATOM 0 HA SER A 514 8.018 -4.857 1.775 1.00 0.00 H new ATOM 0 HB2 SER A 514 10.390 -4.745 0.956 1.00 0.00 H new ATOM 0 HB3 SER A 514 10.942 -4.642 2.616 1.00 0.00 H new ATOM 0 HG SER A 514 10.898 -6.760 2.583 1.00 0.00 H new ATOM 1088 N LEU A 515 7.674 -5.743 4.077 1.00 0.00 N ATOM 1089 CA LEU A 515 7.312 -6.147 5.430 1.00 0.00 C ATOM 1090 C LEU A 515 7.904 -7.510 5.771 1.00 0.00 C ATOM 1091 O LEU A 515 8.016 -8.383 4.909 1.00 0.00 O ATOM 1092 CB LEU A 515 5.790 -6.188 5.584 1.00 0.00 C ATOM 1093 CG LEU A 515 5.137 -4.848 5.923 1.00 0.00 C ATOM 1094 CD1 LEU A 515 3.622 -4.972 5.896 1.00 0.00 C ATOM 1095 CD2 LEU A 515 5.609 -4.357 7.283 1.00 0.00 C ATOM 0 H LEU A 515 7.229 -6.290 3.340 1.00 0.00 H new ATOM 0 HA LEU A 515 7.722 -5.410 6.121 1.00 0.00 H new ATOM 0 HB2 LEU A 515 5.356 -6.562 4.656 1.00 0.00 H new ATOM 0 HB3 LEU A 515 5.538 -6.905 6.365 1.00 0.00 H new ATOM 0 HG LEU A 515 5.435 -4.118 5.171 1.00 0.00 H new ATOM 0 HD11 LEU A 515 3.174 -4.009 6.140 1.00 0.00 H new ATOM 0 HD12 LEU A 515 3.300 -5.281 4.902 1.00 0.00 H new ATOM 0 HD13 LEU A 515 3.305 -5.715 6.627 1.00 0.00 H new ATOM 0 HD21 LEU A 515 5.135 -3.402 7.510 1.00 0.00 H new ATOM 0 HD22 LEU A 515 5.339 -5.086 8.047 1.00 0.00 H new ATOM 0 HD23 LEU A 515 6.692 -4.230 7.269 1.00 0.00 H new ATOM 1107 N LYS A 516 8.279 -7.687 7.033 1.00 0.00 N ATOM 1108 CA LYS A 516 8.858 -8.945 7.490 1.00 0.00 C ATOM 1109 C LYS A 516 8.033 -9.540 8.626 1.00 0.00 C ATOM 1110 O LYS A 516 8.222 -9.193 9.792 1.00 0.00 O ATOM 1111 CB LYS A 516 10.301 -8.730 7.950 1.00 0.00 C ATOM 1112 CG LYS A 516 11.231 -8.271 6.840 1.00 0.00 C ATOM 1113 CD LYS A 516 12.668 -8.164 7.326 1.00 0.00 C ATOM 1114 CE LYS A 516 13.576 -7.581 6.255 1.00 0.00 C ATOM 1115 NZ LYS A 516 14.315 -8.642 5.516 1.00 0.00 N ATOM 0 H LYS A 516 8.192 -6.975 7.758 1.00 0.00 H new ATOM 0 HA LYS A 516 8.852 -9.645 6.654 1.00 0.00 H new ATOM 0 HB2 LYS A 516 10.312 -7.991 8.751 1.00 0.00 H new ATOM 0 HB3 LYS A 516 10.682 -9.661 8.370 1.00 0.00 H new ATOM 0 HG2 LYS A 516 11.179 -8.972 6.007 1.00 0.00 H new ATOM 0 HG3 LYS A 516 10.900 -7.303 6.463 1.00 0.00 H new ATOM 0 HD2 LYS A 516 12.706 -7.538 8.217 1.00 0.00 H new ATOM 0 HD3 LYS A 516 13.030 -9.151 7.614 1.00 0.00 H new ATOM 0 HE2 LYS A 516 12.981 -6.997 5.553 1.00 0.00 H new ATOM 0 HE3 LYS A 516 14.288 -6.896 6.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 14.923 -8.204 4.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 14.903 -9.184 6.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 13.636 -9.281 5.055 1.00 0.00 H new ATOM 1129 N GLU A 517 7.118 -10.439 8.279 1.00 0.00 N ATOM 1130 CA GLU A 517 6.264 -11.083 9.270 1.00 0.00 C ATOM 1131 C GLU A 517 7.095 -11.887 10.264 1.00 0.00 C ATOM 1132 O GLU A 517 6.642 -12.051 11.417 1.00 0.00 O ATOM 1133 CB GLU A 517 5.247 -11.996 8.581 1.00 0.00 C ATOM 1134 CG GLU A 517 4.308 -11.260 7.640 1.00 0.00 C ATOM 1135 CD GLU A 517 3.482 -10.204 8.348 1.00 0.00 C ATOM 1136 OE1 GLU A 517 3.385 -10.261 9.592 1.00 0.00 O ATOM 1137 OE2 GLU A 517 2.930 -9.321 7.658 1.00 0.00 O ATOM 1138 OXT GLU A 517 8.192 -12.346 9.882 1.00 0.00 O ATOM 0 H GLU A 517 6.949 -10.738 7.319 1.00 0.00 H new ATOM 0 HA GLU A 517 5.732 -10.304 9.816 1.00 0.00 H new ATOM 0 HB2 GLU A 517 5.781 -12.763 8.021 1.00 0.00 H new ATOM 0 HB3 GLU A 517 4.658 -12.509 9.341 1.00 0.00 H new ATOM 0 HG2 GLU A 517 4.889 -10.790 6.847 1.00 0.00 H new ATOM 0 HG3 GLU A 517 3.641 -11.978 7.163 1.00 0.00 H new